ID | Crystal Image | COD ID | Piezoelectric Stress [C/m2] / Strain Constants [pC/N] | Elastic Constants [GPa] | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
edij | ed_1 | ed_2 | ed_3 | ed_4 | ed_5 | ed_6 | cij | c_1 | c_2 | c_3 | c_4 | c_5 | c_6 | |||
401 | Crystal Name: RR-tartaric acid Chemical Formula: C4H6O6 H-M Space Group: P21 HD View 3D View Crystal Details |
7241734 | e1_ | 0 | 0 | 0 | -0.19 | 0 | 0.1 | c1_ | 47.76 | 12.57 | 26.69 | 0 | -9.29 | 0 |
e2_ | 0.12 | 0.08 | 0.18 | 0 | -0.08 | 0 | c2_ | 12.57 | 21.79 | 11.03 | 0 | -3.83 | 0 | |||
e3_ | 0 | 0 | 0 | 0.15 | 0 | -0.1 | c3_ | 26.69 | 11.03 | 100.01 | 0 | -26.34 | 0 | |||
d1_ | 0 | 0 | 0 | -13.86 | 0 | 8.02 | c4_ | 0 | 0 | 0 | 12.66 | 0 | -1.92 | |||
d2_ | 1.2 | 2.3 | 0.68 | 0 | -1.96 | 0 | c5_ | -9.29 | -3.83 | -26.34 | 0 | 19.37 | 0 | |||
d3_ | 0 | 0 | 0 | 10.58 | 0 | -8.7 | c6_ | 0 | 0 | 0 | -1.92 | 0 | 9.49 | |||
402 | Crystal Name: benzene-dicarbonitrile Chemical Formula: C9H3N3 H-M Space Group: P21 HD View 3D View Crystal Details |
1557858 | e1_ | 0 | 0 | 0 | -0.04 | 0 | 0.05 | c1_ | 19.9 | 9.12 | 9.23 | 0 | 1.74 | 0 |
e2_ | 0.01 | 0.14 | -0.11 | 0 | -0.03 | 0 | c2_ | 9.12 | 25.87 | 8.55 | 0 | 0.87 | 0 | |||
e3_ | 0 | 0 | 0 | -0.14 | 0 | -0.03 | c3_ | 9.23 | 8.55 | 24.86 | 0 | 6 | 0 | |||
d1_ | 0 | 0 | 0 | -9.53 | 0 | 19.83 | c4_ | 0 | 0 | 0 | 8.09 | 0 | 1.69 | |||
d2_ | 0.19 | 8.06 | -8.48 | 0 | 4.27 | 0 | c5_ | 1.74 | 0.87 | 6 | 0 | 3.63 | 0 | |||
d3_ | 0 | 0 | 0 | -16.58 | 0 | -1.58 | c6_ | 0 | 0 | 0 | 1.69 | 0 | 3.3 | |||
403 | Crystal Name: N-(benzyloxy)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide Chemical Formula: C15H13N3O3 H-M Space Group: P1 HD View 3D View Crystal Details |
7127576 | e1_ | 0.1 | 0.09 | -0.02 | -0.01 | -0.01 | 0.11 | c1_ | 17.42 | 18.78 | 12.3 | -0.21 | -0.5 | 7.01 |
e2_ | 0.06 | 0.08 | 0 | -0.01 | -0.01 | 0.09 | c2_ | 18.78 | 23.69 | 13.47 | 2.93 | 0.31 | 9.14 | |||
e3_ | -0.01 | 0 | 0.04 | 0 | -0.01 | 0 | c3_ | 12.3 | 13.47 | 19.07 | 3.5 | -2.57 | 0.89 | |||
d1_ | 53.7 | -25.78 | -25.6 | 33.74 | -17.17 | -5.89 | c4_ | -0.21 | 2.93 | 3.5 | 5.73 | 1 | 1.42 | |||
d2_ | -12.09 | 7.03 | 4.9 | -11.53 | 2.1 | 11.63 | c5_ | -0.5 | 0.31 | -2.57 | 1 | 4.58 | -0.05 | |||
d3_ | -65.25 | 32.83 | 30.59 | -45.92 | 15.82 | 18.52 | c6_ | 7.01 | 9.14 | 0.89 | 1.42 | -0.05 | 10.36 | |||
404 | Crystal Name: Pyridine-N-oxide Chemical Formula: C5H5NO H-M Space Group: P41212 HD View 3D View Crystal Details |
2105866 | e1_ | 0 | 0 | 0 | 0.01 | 0 | 0 | c1_ | 18.14 | 11.25 | 13.38 | 0 | 0 | 0 |
e2_ | 0 | 0 | 0 | 0 | -0.01 | 0 | c2_ | 11.25 | 18.14 | 13.38 | 0 | 0 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | 0 | c3_ | 13.38 | 13.38 | 15.25 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | 1.9 | 0 | 0 | c4_ | 0 | 0 | 0 | 5.48 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | 0 | -1.9 | 0 | c5_ | 0 | 0 | 0 | 0 | 5.48 | 0 | |||
d3_ | 0 | 0 | 0 | 0 | 0 | 0 | c6_ | 0 | 0 | 0 | 0 | 0 | 3.78 | |||
405 | Crystal Name: Trans-4-(Styryl)pyridine Chemical Formula: C13H11N H-M Space Group: Pc HD View 3D View Crystal Details |
4109988 | e1_ | -0.2 | 0 | -0.04 | 0 | 0.08 | 0 | c1_ | 36.11 | 10.82 | 15.59 | 0 | -10.31 | 0 |
e2_ | 0 | 0 | 0 | 0 | 0 | -0.01 | c2_ | 10.82 | 12.85 | 11.63 | 0 | 1.15 | 0 | |||
e3_ | 0.12 | -0.01 | 0 | 0 | -0.05 | 0 | c3_ | 15.59 | 11.63 | 14.25 | 0 | -1.35 | 0 | |||
d1_ | -7.67 | 5.58 | 1.17 | 0 | -0.23 | 0 | c4_ | 0 | 0 | 0 | 5.99 | 0 | 1.58 | |||
d2_ | 0 | 0 | 0 | 1.5 | 0 | -6.19 | c5_ | -10.31 | 1.15 | -1.35 | 0 | 6.45 | 0 | |||
d3_ | 6.95 | -0.22 | -7.23 | 0 | 1.48 | 0 | c6_ | 0 | 0 | 0 | 1.58 | 0 | 2.04 | |||
406 | Crystal Name: 8-methylenehexahydro-6H-cyclopenta[c]furo[2,3-d]pyran-2(3H)-one Chemical Formula: C11H14O3 H-M Space Group: P1 HD View 3D View Crystal Details |
4036254 | e1_ | 0.13 | -0.03 | -0.03 | -0.02 | -0.04 | -0.02 | c1_ | 21.99 | 11.66 | 13.51 | 1.86 | 0.42 | 0.84 |
e2_ | 0 | -0.02 | 0.08 | -0.06 | -0.03 | 0.03 | c2_ | 11.66 | 18.98 | 6.89 | 1.49 | -1.73 | 1.15 | |||
e3_ | 0.05 | 0 | -0.14 | 0.02 | 0.02 | -0.03 | c3_ | 13.51 | 6.89 | 23.66 | -4.14 | -1.07 | -0.88 | |||
d1_ | 20.08 | -8.39 | -13.4 | -15.7 | -9.37 | -2.56 | c4_ | 1.86 | 1.49 | -4.14 | 5.22 | 1.53 | 1.21 | |||
d2_ | 0.23 | -1.87 | 2.15 | -10.61 | -1.62 | 6.81 | c5_ | 0.42 | -1.73 | -1.07 | 1.53 | 5.92 | -0.12 | |||
d3_ | 13.95 | -1.42 | -15.64 | -12.48 | 1.44 | -5.81 | c6_ | 0.84 | 1.15 | -0.88 | 1.21 | -0.12 | 6.4 | |||
407 | Crystal Name: L-Aspartic acid Chemical Formula: C4H7NO4 H-M Space Group: P21 HD View 3D View Crystal Details |
2015971 | e1_ | 0 | 0 | 0 | 0.13 | 0 | -0.13 | c1_ | 46.92 | 19.17 | 19.64 | 0 | -8.91 | 0 |
e2_ | 0.05 | -0.01 | -0.07 | 0 | 0.04 | 0 | c2_ | 19.17 | 31.88 | 14.14 | 0 | -4.88 | 0 | |||
e3_ | 0 | 0 | 0 | -0.03 | 0 | 0.02 | c3_ | 19.64 | 14.14 | 103.33 | 0 | -29.23 | 0 | |||
d1_ | 0 | 0 | 0 | 8.52 | 0 | -13.2 | c4_ | 0 | 0 | 0 | 16 | 0 | 0.32 | |||
d2_ | 2.19 | -1.05 | -0.27 | 0 | 2.56 | 0 | c5_ | -8.91 | -4.88 | -29.23 | 0 | 17.77 | 0 | |||
d3_ | 0 | 0 | 0 | -2.01 | 0 | 1.98 | c6_ | 0 | 0 | 0 | 0.32 | 0 | 10.29 | |||
408 | Crystal Name: (E)-1-Naphthaldehyde oxime Chemical Formula: C11H9NO H-M Space Group: P21 HD View 3D View Crystal Details |
2242380 | e1_ | 0 | 0 | 0 | 0.01 | 0 | 0 | c1_ | 20.27 | 13.24 | 14.47 | 0 | -2.67 | 0 |
e2_ | 0 | 0.03 | 0.01 | 0 | 0.01 | 0 | c2_ | 13.24 | 17.32 | 14.53 | 0 | 2.19 | 0 | |||
e3_ | 0 | 0 | 0 | -0.03 | 0 | 0 | c3_ | 14.47 | 14.53 | 14.44 | 0 | -0.06 | 0 | |||
d1_ | 0 | 0 | 0 | 2.52 | 0 | -0.36 | c4_ | 0 | 0 | 0 | 4.42 | 0 | 2.31 | |||
d2_ | 0.47 | 8.32 | -8.33 | 0 | -1.72 | 0 | c5_ | -2.67 | 2.19 | -0.06 | 0 | 5.57 | 0 | |||
d3_ | 0 | 0 | 0 | -8.62 | 0 | 3.16 | c6_ | 0 | 0 | 0 | 2.31 | 0 | 4.85 | |||
409 | Crystal Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid Chemical Formula: C9H11NO3 H-M Space Group: P21 HD View 3D View Crystal Details |
1566834 | e1_ | 0 | 0 | 0 | 0.02 | 0 | 0.03 | c1_ | 20.61 | 13.68 | 19.01 | 0 | 1.21 | 0 |
e2_ | 0.03 | 0.38 | 0.01 | 0 | 0.01 | 0 | c2_ | 13.68 | 50.32 | 13.63 | 0 | 2.17 | 0 | |||
e3_ | 0 | 0 | 0 | 0.03 | 0 | 0.03 | c3_ | 19.01 | 13.63 | 32.06 | 0 | 6.52 | 0 | |||
d1_ | 0 | 0 | 0 | 3.69 | 0 | 8.58 | c4_ | 0 | 0 | 0 | 2.98 | 0 | 0.88 | |||
d2_ | -2.39 | 8.67 | -1.97 | 0 | 0.43 | 0 | c5_ | 1.21 | 2.17 | 6.52 | 0 | 6.22 | 0 | |||
d3_ | 0 | 0 | 0 | 7.31 | 0 | 9.18 | c6_ | 0 | 0 | 0 | 0.88 | 0 | 2.59 | |||
410 | Crystal Name: 4-aminopyridinium hydrogen maleate Chemical Formula: C9H10N2O4 H-M Space Group: P21 HD View 3D View Crystal Details |
4514132 | e1_ | 0 | 0 | 0 | 0.02 | 0 | 0.08 | c1_ | 17.5 | 18.13 | 13.52 | 0 | 0.85 | 0 |
e2_ | 0.04 | 0.07 | -0.07 | 0 | 0.03 | 0 | c2_ | 18.13 | 31.1 | 18.02 | 0 | 1.06 | 0 | |||
e3_ | 0 | 0 | 0 | -0.01 | 0 | -0.01 | c3_ | 13.52 | 18.02 | 35.67 | 0 | -0.27 | 0 | |||
d1_ | 0 | 0 | 0 | 4.12 | 0 | 5.22 | c4_ | 0 | 0 | 0 | 4.4 | 0 | 0.13 | |||
d2_ | 0.85 | 3.77 | -4.2 | 0 | 12.64 | 0 | c5_ | 0.85 | 1.06 | -0.27 | 0 | 2.28 | 0 | |||
d3_ | 0 | 0 | 0 | -1.13 | 0 | -0.76 | c6_ | 0 | 0 | 0 | 0.13 | 0 | 15.62 | |||
411 | 2010290 | e1_ | 0 | 0 | 0 | 0 | 0.04 | 0 | c1_ | 24.63 | 12.34 | 17.39 | 0 | 0 | 0 | |
e2_ | 0 | 0 | 0 | 0.11 | 0 | 0 | c2_ | 12.34 | 14.35 | 9.39 | 0 | 0 | 0 | |||
e3_ | 0.08 | 0.01 | 0.16 | 0 | 0 | 0 | c3_ | 17.39 | 9.39 | 18.32 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | 0 | 5.78 | 0 | c4_ | 0 | 0 | 0 | 4.13 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | 25.5 | 0 | 0 | c5_ | 0 | 0 | 0 | 0 | 7.47 | 0 | |||
d3_ | -6.59 | -4.68 | 17.12 | 0 | 0 | 0 | c6_ | 0 | 0 | 0 | 0 | 0 | 2.4 | |||
412 | Crystal Name: Substituted 1,3-dienes Chemical Formula: C19H20O4 H-M Space Group: P1 HD View 3D View Crystal Details |
1503104 | e1_ | 0.11 | -0.01 | 0.01 | 0 | 0.01 | 0.01 | c1_ | 17.48 | 9 | 8.41 | 1.01 | 0.58 | 1.2 |
e2_ | 0 | 0.01 | 0 | -0.02 | -0.01 | 0.07 | c2_ | 9 | 20.11 | 12.68 | -2.33 | 1.2 | 1.15 | |||
e3_ | 0.02 | 0 | -0.02 | 0.01 | 0.07 | -0.02 | c3_ | 8.41 | 12.68 | 19.17 | -2.94 | 1.14 | -0.65 | |||
d1_ | 9.37 | -3.17 | -2.45 | -2.35 | 6.7 | -8.62 | c4_ | 1.01 | -2.33 | -2.94 | 9.37 | -2.22 | -1.16 | |||
d2_ | 43.99 | 45.87 | -91.14 | 2.82 | 393.63 | -538.66 | c5_ | 0.58 | 1.2 | 1.14 | -2.22 | 3.79 | 2.73 | |||
d3_ | -42.91 | -44.72 | 88.19 | -1.23 | -380.06 | 542.38 | c6_ | 1.2 | 1.15 | -0.65 | -1.16 | 2.73 | 2.17 | |||
413 | Crystal Name: graphene monoxide Chemical Formula: C4O4 H-M Space Group: C222 HD View 3D View Crystal Details |
1568395 | e1_ | 0 | 0 | 0 | 0 | 0 | 0 | c1_ | 71.6 | 29.14 | -0.34 | 0 | 0 | 0 |
e2_ | 0 | 0 | 0 | 0 | 0 | 0 | c2_ | 29.14 | 48.56 | -0.32 | 0 | 0 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | -0.01 | c3_ | -0.34 | -0.32 | -0.43 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | -0.19 | 0 | 0 | c4_ | 0 | 0 | 0 | -0.32 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | 0 | 29.75 | 0 | c5_ | 0 | 0 | 0 | 0 | -0.08 | 0 | |||
d3_ | 0 | 0 | 0 | 0 | 0 | -0.31 | c6_ | 0 | 0 | 0 | 0 | 0 | 33.35 | |||
414 | Crystal Name: Oxammite Chemical Formula: C2H10N2O5 H-M Space Group: P21212 HD View 3D View Crystal Details |
9011128 | e1_ | 0 | 0 | 0 | -0.05 | 0 | 0 | c1_ | 62.53 | 26.36 | 21.56 | 0 | 0 | 0 |
e2_ | 0 | 0 | 0 | 0 | 0.01 | 0 | c2_ | 26.36 | 62.91 | 25.85 | 0 | 0 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | -0.06 | c3_ | 21.56 | 25.85 | 37.25 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | -3.84 | 0 | 0 | c4_ | 0 | 0 | 0 | 12.45 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | 0 | 0.54 | 0 | c5_ | 0 | 0 | 0 | 0 | 11.51 | 0 | |||
d3_ | 0 | 0 | 0 | 0 | 0 | -3.73 | c6_ | 0 | 0 | 0 | 0 | 0 | 16.23 | |||
415 | Crystal Name: 1-amino-5-methyltetrazole Chemical Formula: C2H5N5 H-M Space Group: P212121 HD View 3D View Crystal Details |
7058949 | e1_ | 0 | 0 | 0 | -0.03 | 0 | 0 | c1_ | 11.04 | 8.34 | 6.76 | 0 | 0 | 0 |
e2_ | 0 | 0 | 0 | 0 | -0.09 | 0 | c2_ | 8.34 | 8.39 | 5.14 | 0 | 0 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | -0.04 | c3_ | 6.76 | 5.14 | 28.33 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | -6.68 | 0 | 0 | c4_ | 0 | 0 | 0 | 4.41 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | 0 | -81.05 | 0 | c5_ | 0 | 0 | 0 | 0 | 1.13 | 0 | |||
d3_ | 0 | 0 | 0 | 0 | 0 | -7.05 | c6_ | 0 | 0 | 0 | 0 | 0 | 6.27 | |||
416 | Crystal Name: C6 H14 N2 Chemical Formula: (+-)-trans-1,2-Diaminocyclohexane H-M Space Group: P21212 HD View 3D View Crystal Details |
7206641 | e1_ | 0 | 0 | 0 | -0.02 | 0 | 0 | c1_ | 17.5 | 7.59 | 9.51 | 0 | 0 | 0 |
e2_ | 0 | 0 | 0 | 0 | 0.02 | 0 | c2_ | 7.59 | 24.09 | 2.69 | 0 | 0 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | -0.04 | c3_ | 9.51 | 2.69 | 22.29 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | -4.04 | 0 | 0 | c4_ | 0 | 0 | 0 | 3.83 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | 0 | 3.52 | 0 | c5_ | 0 | 0 | 0 | 0 | 5.77 | 0 | |||
d3_ | 0 | 0 | 0 | 0 | 0 | -3.53 | c6_ | 0 | 0 | 0 | 0 | 0 | 10.44 | |||
417 | Crystal Name: 2-Methylbenzylammonium Formate Chemical Formula: C9H13NO2 H-M Space Group: P21 HD View 3D View Crystal Details |
7230287 | e1_ | 0 | 0 | 0 | 0 | 0 | -0.05 | c1_ | 37.47 | 10.31 | 8.63 | 0 | 0.64 | 0 |
e2_ | -0.01 | -0.07 | 0 | 0 | 0 | 0 | c2_ | 10.31 | 25.23 | 9.71 | 0 | 1.34 | 0 | |||
e3_ | 0 | 0 | 0 | -0.02 | 0 | -0.03 | c3_ | 8.63 | 9.71 | 17.68 | 0 | 1.24 | 0 | |||
d1_ | 0 | 0 | 0 | -0.19 | 0 | -24.67 | c4_ | 0 | 0 | 0 | 3.2 | 0 | 0.01 | |||
d2_ | 0.45 | -3.81 | 1.85 | 0 | -0.78 | 0 | c5_ | 0.64 | 1.34 | 1.24 | 0 | 1.63 | 0 | |||
d3_ | 0 | 0 | 0 | -4.69 | 0 | -12.98 | c6_ | 0 | 0 | 0 | 0.01 | 0 | 2.12 | |||
418 | Crystal Name: 4-Cyano-1-methylpyridinium nitrate Chemical Formula: C7H7N3O3 H-M Space Group: Pmn21 HD View 3D View Crystal Details |
2237865 | e1_ | 0 | 0 | 0 | 0 | 0.06 | 0 | c1_ | 33.37 | 9.96 | 14.7 | 0 | 0 | 0 |
e2_ | 0 | 0 | 0 | -0.06 | 0 | 0 | c2_ | 9.96 | 12.92 | 9.46 | 0 | 0 | 0 | |||
e3_ | 0.06 | 0 | -0.06 | 0 | 0 | 0 | c3_ | 14.7 | 9.46 | 23.9 | 0 | 0 | 0 | |||
d1_ | 0 | 0 | 0 | 0 | 11.67 | 0 | c4_ | 0 | 0 | 0 | 5.19 | 0 | 0 | |||
d2_ | 0 | 0 | 0 | -10.73 | 0 | 0 | c5_ | 0 | 0 | 0 | 0 | 5.04 | 0 | |||
d3_ | 3.62 | 0.9 | -4.96 | 0 | 0 | 0 | c6_ | 0 | 0 | 0 | 0 | 0 | 1.41 | |||
419 | Crystal Name: S-(+)-2-methylpiperazine Chemical Formula: C5H12N2 H-M Space Group: P21 HD View 3D View Crystal Details |
2105466 | e1_ | 0 | 0 | 0 | -0.01 | 0 | 0.01 | c1_ | 23.84 | 3.42 | 1.66 | 0 | -0.16 | 0 |
e2_ | 0 | 0.01 | 0.01 | 0 | 0 | 0 | c2_ | 3.42 | 16.52 | 1.45 | 0 | -0.77 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | 0.01 | c3_ | 1.66 | 1.45 | 16.57 | 0 | -0.03 | 0 | |||
d1_ | 0 | 0 | 0 | -10.58 | 0 | 1.03 | c4_ | 0 | 0 | 0 | 0.55 | 0 | 0.15 | |||
d2_ | 0.06 | 0.5 | 0.5 | 0 | 0.18 | 0 | c5_ | -0.16 | -0.77 | -0.03 | 0 | 3.32 | 0 | |||
d3_ | 0 | 0 | 0 | 7.55 | 0 | 0.48 | c6_ | 0 | 0 | 0 | 0.15 | 0 | 8.39 | |||
420 | Crystal Name: 3'-O-acetyl-2'-deoxy-5-methoxymethyluridine Chemical Formula: C13H18N2O7 H-M Space Group: P1 HD View 3D View Crystal Details |
2101110 | e1_ | -0.04 | 0 | -0.05 | 0.01 | 0.01 | -0.03 | c1_ | 23.3 | 8.72 | 14.96 | -0.75 | -7.21 | 0.04 |
e2_ | -0.02 | -0.01 | 0.04 | 0.01 | -0.02 | 0.01 | c2_ | 8.72 | 31.38 | 11.24 | 0.45 | -2.85 | 2.66 | |||
e3_ | 0.03 | -0.05 | 0.02 | -0.05 | -0.07 | -0.01 | c3_ | 14.96 | 11.24 | 18.2 | 3.17 | -3.75 | -3.32 | |||
d1_ | 4.49 | 4.98 | -12.54 | -1.29 | 0.74 | -17.65 | c4_ | -0.75 | 0.45 | 3.17 | 6.44 | -0.66 | -3.47 | |||
d2_ | -10.03 | -4.27 | 14.89 | -0.35 | -4.41 | 13.57 | c5_ | -7.21 | -2.85 | -3.75 | -0.66 | 10.61 | -0.05 | |||
d3_ | -5.74 | -2.45 | 6.93 | -16.83 | -9.63 | -6.91 | c6_ | 0.04 | 2.66 | -3.32 | -3.47 | -0.05 | 5.06 | |||
421 | Crystal Name: 4-methoxy-1-naphthol Chemical Formula: C11H10O2 H-M Space Group: P21 HD View 3D View Crystal Details |
2017439 | e1_ | 0 | 0 | 0 | -0.01 | 0 | 0.03 | c1_ | 28.07 | 12.38 | 13.85 | 0 | -4.85 | 0 |
e2_ | 0.02 | 0.06 | 0.04 | 0 | -0.03 | 0 | c2_ | 12.38 | 15.98 | 12.23 | 0 | 3.15 | 0 | |||
e3_ | 0 | 0 | 0 | 0 | 0 | 0 | c3_ | 13.85 | 12.23 | 16.54 | 0 | -3.98 | 0 | |||
d1_ | 0 | 0 | 0 | -3.69 | 0 | 5.11 | c4_ | 0 | 0 | 0 | 5.26 | 0 | 1.12 | |||
d2_ | -13.33 | 59 | -43.86 | 0 | -56.37 | 0 | c5_ | -4.85 | 3.15 | -3.98 | 0 | 8.05 | 0 | |||
d3_ | 0 | 0 | 0 | 0.21 | 0 | -0.38 | c6_ | 0 | 0 | 0 | 1.12 | 0 | 7.04 | |||
422 | Crystal Name: (R)-2-phenylpropionic acid Chemical Formula: C9H10O2 H-M Space Group: P21 HD View 3D View Crystal Details |
2104247 | e1_ | 0 | 0 | 0 | 0.02 | 0 | 0.01 | c1_ | 14.09 | 10.06 | 9.48 | 0 | 0.53 | 0 |
e2_ | 0.03 | 0.02 | 0.03 | 0 | 0.01 | 0 | c2_ | 10.06 | 23.39 | 9.66 | 0 | 2.76 | 0 | |||
e3_ | 0 | 0 | 0 | -0.01 | 0 | 0.01 | c3_ | 9.48 | 9.66 | 15.73 | 0 | -1.57 | 0 | |||
d1_ | 0 | 0 | 0 | 3.57 | 0 | 0.42 | c4_ | 0 | 0 | 0 | 5.67 | 0 | 2.06 | |||
d2_ | 1.09 | -0.78 | 2.05 | 0 | 2.84 | 0 | c5_ | 0.53 | 2.76 | -1.57 | 0 | 5.37 | 0 | |||
d3_ | 0 | 0 | 0 | -3.1 | 0 | 3.12 | c6_ | 0 | 0 | 0 | 2.06 | 0 | 6.23 | |||
423 | Crystal Name: (2-Furyl)oxoacetamide Chemical Formula: C6H5NO3 H-M Space Group: P21 HD View 3D View Crystal Details |
7201799 | e1_ | 0 | 0 | 0 | 0.04 | 0 | -0.01 | c1_ | 23.91 | 8.25 | 12.52 | 0 | -4.45 | 0 |
e2_ | 0.07 | 0.03 | 0.06 | 0 | -0.02 | 0 | c2_ | 8.25 | 25.17 | 22.53 | 0 | -2.46 | 0 | |||
e3_ | 0 | 0 | 0 | 0.09 | 0 | -0.03 | c3_ | 12.52 | 22.53 | 33.21 | 0 | -8.37 | 0 | |||
d1_ | 0 | 0 | 0 | 2.56 | 0 | -1.47 | c4_ | 0 | 0 | 0 | 14.86 | 0 | -1.86 | |||
d2_ | 2.38 | -2.08 | 2.78 | 0 | 1.92 | 0 | c5_ | -4.45 | -2.46 | -8.37 | 0 | 6.45 | 0 | |||
d3_ | 0 | 0 | 0 | 5.26 | 0 | -3.8 | c6_ | 0 | 0 | 0 | -1.86 | 0 | 4.37 | |||
424 | Crystal Name: 3-Methyl-1H-isochromen-1-one Chemical Formula: C10H8O2 H-M Space Group: P21 HD View 3D View Crystal Details |
4027223 | e1_ | 0 | 0 | 0 | 0 | 0 | 0.01 | c1_ | 13.23 | 8.31 | 7.57 | 0 | -1.44 | 0 |
e2_ | -0.08 | 0.19 | -0.13 | 0 | 0.01 | 0 | c2_ | 8.31 | 31.79 | 12.49 | 0 | -3.44 | 0 | |||
e3_ | 0 | 0 | 0 | -0.01 | 0 | 0.01 | c3_ | 7.57 | 12.49 | 10.57 | 0 | -1.03 | 0 | |||
d1_ | 0 | 0 | 0 | 1.15 | 0 | 4.79 | c4_ | 0 | 0 | 0 | 6.39 | 0 | -2.45 | |||
d2_ | 3.51 | 21.43 | -38.83 | 0 | 9.84 | 0 | c5_ | -1.44 | -3.44 | -1.03 | 0 | 4.49 | 0 | |||
d3_ | 0 | 0 | 0 | -2.21 | 0 | 0.11 | c6_ | 0 | 0 | 0 | -2.45 | 0 | 3.37 | |||
425 | Crystal Name: 3-nitro-1-(propan-2-yl)-1H-pyrazole Chemical Formula: C6H9N3O2 H-M Space Group: Cm HD View 3D View Crystal Details |
4032789 | e1_ | -0.34 | 0.03 | -0.01 | 0 | -0.03 | 0 | c1_ | 44.15 | 5.82 | 9.56 | 0 | 2.74 | 0 |
e2_ | 0 | 0 | 0 | -0.02 | 0 | -0.02 | c2_ | 5.82 | 15.68 | 9.1 | 0 | -2.07 | 0 | |||
e3_ | -0.02 | -0.01 | 0.01 | 0 | -0.11 | 0 | c3_ | 9.56 | 9.1 | 18.64 | 0 | 2.26 | 0 | |||
d1_ | -8.54 | 3.53 | 2.05 | 0 | -0.95 | 0 | c4_ | 0 | 0 | 0 | 4.14 | 0 | 0.16 | |||
d2_ | 0 | 0 | 0 | -3.77 | 0 | -8.25 | c5_ | 2.74 | -2.07 | 2.26 | 0 | 6.98 | 0 | |||
d3_ | 0.29 | -7.26 | 6.5 | 0 | -19.91 | 0 | c6_ | 0 | 0 | 0 | 0.16 | 0 | 2.47 |