Metal-Organic Frameworks Properties Repository for Integrated Mechanical and PiezoElectric Data
[ MOFPRIME ]


A Database of Metal-Organic Frameworks with DFT-derived Elastic and Piezoelectric Properties

Welcome to the MOFPRIME Database!


This is an ongoing open-access project that contains our group's DFT-calculated electromechanical properties of small biomolecular crystals, including small MOFs. We invite you to look through this database and pick crystals to grow and characterise for piezoelectric applications or mechanical testing. Are you a computational chemist? Download some cifs and let us know how your predicted values compare! Do you work with photosalient materials? Check out our in-silico stress-strain curves.

If you want your published or unpublished data uploaded to this database you can contact sarah.guerin@ul.ie and shubham.vishnoi@ul.ie. We also welcome feedback on the site's usability, as well as suggested/new functional crystal structures to be included in our ongoing materials screenings. A preprint with full methodology and discussion will be available to cite in the coming weeks if you choose to use this database for your research.
ID Crystal Image CSD ID
Piezoelectric Strain Constants [pC/N] Elastic Constants [GPa]
deij de_1 de_2 de_3 de_4 de_5 de_6 cij c_1 c_2 c_3 c_4 c_5 c_6
51
Crystal Name:      Chemical Formula: (C₆ H₁₀ K₁ O₉)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
RUQSAX		 e1_ 0.06 -0.3 0.05 0.02 0.28 -0.14 c1_ 4.33 -3.98 5.31 -0.03 5.06 -2.25
e2_ -0.35 -0.86 -0.1 0.08 0.33 -0.13 c2_ -3.98 -4.58 1.54 -4.21 6.69 -4.95
e3_ 0.24 0.22 0.07 0 -0.1 0.04 c3_ 5.31 1.54 13.97 -2.88 1.64 -2.1
d1_ 50.96 7.48 -16.79 -2.24 -8.83 -2.77 c4_ -0.03 -4.21 -2.88 -1.73 -0.13 1.01
d2_ 12.81 -3.43 10.03 5.72 -51.45 94.84 c5_ 5.06 6.69 1.64 -0.13 -0.44 2.61
d3_ 19.45 -9.14 -8.12 8.42 10.39 -46.72 c6_ -2.25 -4.95 -2.1 1.01 2.61 0.38
52
Crystal Name:      Chemical Formula: (C₁₀ H₇ Cu₁ N₂ S₁)n     H-M Space Group: P 21


HD View  3D View  Crystal Details
WEZTOO		 e1_ 0 0 0 -0.08 0 -0.13 c1_ -226.16 -237.54 -262.45 0 4.7 0
e2_ 0.01 0.04 -0.05 0 -0.03 0 c2_ -237.54 -224.39 -252.09 0 6.34 0
e3_ 0 0 0 0.03 0 0.02 c3_ -262.45 -252.09 -235.88 0 5.61 0
d1_ 0 0 0 -34.09 0 -20.16 c4_ 0 0 0 3.17 0 -1.51
d2_ -1.93 4.19 -2.42 0 -13.25 0 c5_ 4.7 6.34 5.61 0 2.79 0
d3_ 0 0 0 9.93 0 3.66 c6_ 0 0 0 -1.51 0 8.81
53
Crystal Name:      Chemical Formula: (C₁₂ H₁₂ Cu₁ N₂ O₈)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
BATVAW		 e1_ 0 0 -0.01 0 0 0 c1_ -19.61 -20.09 -37.54 0.99 -8.15 -4.42
e2_ 0 -0.01 0.01 0 0 0 c2_ -20.09 94.63 -2.6 27.64 1.82 -3.78
e3_ -0.01 0 -0.02 -0.01 0 0 c3_ -37.54 -2.6 -15.92 8.37 -5.21 -0.85
d1_ 0.12 0.45 -0.56 -1.02 0.3 2.32 c4_ 0.99 27.64 8.37 25.63 5.67 7.07
d2_ -0.13 -0.42 0.34 0.66 0.38 -1.68 c5_ -8.15 1.82 -5.21 5.67 5.78 1.28
d3_ 0.26 0.34 -0.37 -0.88 0.54 1.01 c6_ -4.42 -3.78 -0.85 7.07 1.28 3.92
54
Crystal Name:      Chemical Formula: (C₂ Ag₁ N₃)n     H-M Space Group: P 31 2 1


HD View  3D View  Crystal Details
JEYDIA03		 e1_ 0 0 0 -0.03 0 0 c1_ 22.89 7.86 1.63 -1.81 -0.19 -0.01
e2_ 0 0 0 0 0.03 0 c2_ 7.86 23 2.04 2.2 -0.34 0
e3_ 0 0 0.02 0 -0.01 0.01 c3_ 1.63 2.04 47.9 0.71 -0.59 0.09
d1_ -2.46 2.73 0.29 -17.82 0.23 -0.09 c4_ -1.81 2.2 0.71 2.24 0.02 -0.08
d2_ 0.11 0.02 0.11 0.44 7.29 2.05 c5_ -0.19 -0.34 -0.59 0.02 5.13 -2.03
d3_ -0.02 0 0.41 -0.19 -1.07 0.44 c6_ -0.01 0 0.09 -0.08 -2.03 7.63
55
Crystal Name:      Chemical Formula: (C₆ H₄ Cl₂ Co₁ N₂)n     H-M Space Group: P m


HD View  3D View  Crystal Details
ZUFCAH		 e1_ -0.17 0.05 0.02 0 -0.05 0 c1_ 59.09 9.45 83.5 0 52.35 0
e2_ 0 0 0 -0.06 0 -0.07 c2_ 9.45 45.87 12.38 0 0.82 0
e3_ 0.03 -0.03 -0.13 0 0.02 0 c3_ 83.5 12.38 121.55 0 85.25 0
d1_ 234.89 13.19 -230.12 0 96.34 0 c4_ 0 0 0 -0.75 0 3.17
d2_ 0 0 0 -12.27 0 -23.36 c5_ 52.35 0.82 85.25 0 75.35 0
d3_ -194.8 -9.5 186.42 0 -75.14 0 c6_ 0 0 0 3.17 0 1.25
56
Crystal Name:      Chemical Formula: (C₁₄ H₁₀ Au₂ O₄ S₂)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
DEDLIK		 e1_ 0.16 -0.11 0.38 0.04 -0.03 -0.01 c1_ 21.15 -1.89 -4.5 -9.43 0.03 -2.22
e2_ -0.01 0.25 -0.19 -0.05 -0.04 0.02 c2_ -1.89 -18.27 -7.06 -18.03 5.57 -2.01
e3_ -0.21 -0.17 0.04 0.27 0.13 -0.11 c3_ -4.5 -7.06 -3.77 -23.93 -2.35 -5.64
d1_ -0.52 20.89 -5.03 -15.93 -14.78 -15.44 c4_ -9.43 -18.03 -23.93 -15.01 0.52 -3.96
d2_ 4.92 -24.1 10.97 7 11.57 18.54 c5_ 0.03 5.57 -2.35 0.52 9.53 0.42
d3_ -12.35 13.26 -14.65 9.07 3.37 -43.83 c6_ -2.22 -2.01 -5.64 -3.96 0.42 3.66
57
Crystal Name:      Chemical Formula: (C₂ Ag₁ N₃)n     H-M Space Group: P 31 2 1


HD View  3D View  Crystal Details
JEYDIA02		 e1_ -0.01 0 -0.04 -0.02 0.01 0 c1_ 24.17 8.76 2.78 -1.94 -0.33 -0.03
e2_ 0 0 0 0.01 0.04 0 c2_ 8.76 24.02 2.96 2.07 -0.22 -0.01
e3_ 0.08 0.08 0.22 0 -0.02 0.01 c3_ 2.78 2.96 47.44 0.59 -0.64 0.09
d1_ -2.85 2.65 -0.47 -19.55 1.75 0.72 c4_ -1.94 2.07 0.59 1.8 0.03 0.05
d2_ 0.96 -0.85 0.04 6.07 8.49 2.05 c5_ -0.33 -0.22 -0.64 0.03 4.86 -2.03
d3_ 1.43 2.71 4.38 -5.25 -2.07 0.99 c6_ -0.03 -0.01 0.09 0.05 -2.03 7.77
58
Crystal Name:      Chemical Formula: (C₄ H₈ Li₁ N₁ O₅)n     H-M Space Group: P 21


HD View  3D View  Crystal Details
SEBMOB		 e1_ 0 0 0 0.09 0 -0.18 c1_ 38.24 18.79 23.48 0 -3.76 0
e2_ -0.22 0 -0.13 0 0.11 0 c2_ 18.79 38.26 17.38 0 -4.42 0
e3_ 0 0 0 -0.12 0 0.06 c3_ 23.48 17.38 48.13 0 -6.71 0
d1_ 0 0 0 0.44 0 -10.43 c4_ 0 0 0 13.01 0 -8.01
d2_ -7.27 4.1 0 0 4.17 0 c5_ -3.76 -4.42 -6.71 0 23.63 0
d3_ 0 0 0 -9.22 0 -0.59 c6_ 0 0 0 -8.01 0 17.11
59
Crystal Name:      Chemical Formula: (C₈ H₇ Cu₁ O₂ S₁)n     H-M Space Group: P n


HD View  3D View  Crystal Details
SEKLEC		 e1_ -0.3 -0.28 -0.19 0 0.13 0 c1_ -192.66 -203 -222.03 0 1.55 0
e2_ 0 0 0 -0.23 0 -0.19 c2_ -203 -145.91 -199.31 0 2.57 0
e3_ 0.09 0.04 -0.08 0 -0.03 0 c3_ -222.03 -199.31 -218.99 0 -0.16 0
d1_ -5.21 -5.47 11.1 0 31.39 0 c4_ 0 0 0 8.17 0 1.22
d2_ 0 0 0 46.86 0 -501.7 c5_ 1.55 2.57 -0.16 0 4.85 0
d3_ 5.97 4.09 -9.4 0 -11.23 0 c6_ 0 0 0 1.22 0 0.48
60
Crystal Name:      Chemical Formula: (C₈ H₁₇ N₁ O₄ Sn₁)n     H-M Space Group: P 31


HD View  3D View  Crystal Details
SANVEI		 e1_ 0.03 -0.02 0.01 -0.09 0.02 -0.01 c1_ -3.64 -1.89 -0.27 -0.19 0.33 0
e2_ 0 0.02 0.02 0.01 0.09 -0.03 c2_ -1.89 -3.64 -0.27 0.19 -0.33 0
e3_ 0 0 0.04 0 0 0 c3_ -0.27 -0.27 -2.54 0 0 0
d1_ -28.55 27.61 -4.86 74.99 -27.29 -7.02 c4_ -0.19 0.19 0 -1.43 0 -0.33
d2_ -7.98 4.28 -7.28 -20.09 -75.56 52.6 c5_ 0.33 -0.33 0 0 -1.43 -0.19
d3_ 1.14 1.14 -14.79 0 0 0 c6_ 0 0 0 -0.33 -0.19 -0.87
61
Crystal Name:      Chemical Formula: (C₂ H₄ Cl₂ Hg₁ N₄)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
REXZUP		 e1_ 0.72 -0.34 0.02 -0.12 -0.23 0.44 c1_ 18.88 13.68 5.75 -2.28 -2.22 3.67
e2_ -0.01 0.33 -0.07 0 0.03 -0.05 c2_ 13.68 40.83 7.56 4.1 -2.73 1.17
e3_ 0 -0.17 0.06 0.05 -0.03 -0.05 c3_ 5.75 7.56 29.09 -0.21 -3.54 1.47
d1_ 73.55 -46.83 -11.68 100.5 -78.22 25.35 c4_ -2.28 4.1 -0.21 3.32 0.88 -0.96
d2_ -15.56 18.94 -2.08 -38.8 19.04 -1.62 c5_ -2.22 -2.73 -3.54 0.88 3.59 -1.93
d3_ 17.44 -16.89 0.48 51.76 -30.17 -13.24 c6_ 3.67 1.17 1.47 -0.96 -1.93 7.44
62
Crystal Name:      Chemical Formula: (C₉ H₈ Cu₁ I₁ N₂)n     H-M Space Group: P 21


HD View  3D View  Crystal Details
VEFTEF		 e1_ 0 0 0 0.07 0 -0.04 c1_ -66.26 -66.02 -80.83 0 -4.76 0
e2_ 0.01 -0.14 -0.03 0 0.01 0 c2_ -66.02 -41.34 -67.84 0 -2.16 0
e3_ 0 0 0 -0.27 0 0.31 c3_ -80.83 -67.84 -61.13 0 -4.62 0
d1_ 0 0 0 52.46 0 9.77 c4_ 0 0 0 1.62 0 -1.95
d2_ 5.36 -7.41 1.1 0 6.83 0 c5_ -4.76 -2.16 -4.62 0 3.52 0
d3_ 0 0 0 -173.6 0 -5.22 c6_ 0 0 0 -1.95 0 6.25
63
Crystal Name:      Chemical Formula: (C₄ H₁₆ B₁ N₁ O₁₂ Sr₁)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
QEMFOD		 e1_ -0.02 -0.31 0.25 0.27 -0.25 -0.35 c1_ 19.23 14.85 14.27 -0.22 -0.76 -0.28
e2_ -0.07 -0.4 -0.08 0.23 -0.17 -0.28 c2_ 14.85 21.48 22 2.82 -1.97 -4.28
e3_ 0 -0.07 0.05 -0.13 -0.01 0.02 c3_ 14.27 22 33.44 -1.4 0.7 -0.04
d1_ -51.02 130.27 -63.61 -131.51 85.33 95.59 c4_ -0.22 2.82 -1.4 2.74 0.99 0.83
d2_ -33.53 98.44 -58.42 -99.2 73.45 72.11 c5_ -0.76 -1.97 0.7 0.99 3.83 -1.95
d3_ 3.64 -13.37 8.08 -22.79 -8.5 -7.74 c6_ -0.28 -4.28 -0.04 0.83 -1.95 4.9
64
Crystal Name:      Chemical Formula: (C₁₂ H₁₆ Mn₂ N₄ O₁₂ S₂)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
OHUGED		 e1_ 0.75 -2.3 -0.79 -0.78 1.02 -0.53 c1_ -435.18 -520.37 -360.86 -10.22 140.11 -13.04
e2_ 0.39 -8.06 -1.12 2.6 2.86 0.7 c2_ -520.37 -1015.08 -274.2 9.79 330.6 7.1
e3_ -2.06 7.46 0.32 3.72 -3.27 2.26 c3_ -360.86 -274.2 -300.39 -14.88 73.37 -20.79
d1_ 78.38 8.77 -69.9 -164.43 90.06 7.6 c4_ -10.22 9.79 -14.88 4.3 -4.6 2.79
d2_ 81.29 34.81 -124.93 331.62 95.15 87.47 c5_ 140.11 330.6 73.37 -4.6 -93.81 -4.81
d3_ -184.61 -13.12 144.88 730.75 -209.9 4.97 c6_ -13.04 7.1 -20.79 2.79 -4.81 -17.79
65
Crystal Name:      Chemical Formula: (C₈ H₄ N₄ O₂ Zn₁)n     H-M Space Group: P c


HD View  3D View  Crystal Details
MOFTIL		 e1_ -0.1 0.16 0.06 0 -0.05 0 c1_ 32.62 22.32 20.35 0 -6.33 0
e2_ 0 0 0 -0.01 0 0.1 c2_ 22.32 47.23 29.06 0 -11.78 0
e3_ 0 0.09 -0.06 0 0.04 0 c3_ 20.35 29.06 50.15 0 -12.32 0
d1_ -8.18 6.59 0.06 0 -2.58 0 c4_ 0 0 0 16.26 0 -9.89
d2_ 0 0 0 4.23 0 8.28 c5_ -6.33 -11.78 -12.32 0 8.66 0
d3_ -0.86 5.82 -2.08 0 8.67 0 c6_ 0 0 0 -9.89 0 17.67
66
Crystal Name:      Chemical Formula: (C₅ H₉ N₁ O₂ Pb₁ S₁)n     H-M Space Group: P 21


HD View  3D View  Crystal Details
DPENPB01		 e1_ 0 0 0 0.03 0 0.11 c1_ 35.8 8.69 13.24 0 -4.12 0
e2_ 0.04 -0.12 0.52 0 0.07 0 c2_ 8.69 37.08 11.89 0 2.76 0
e3_ 0 0 0 0.08 0 0.02 c3_ 13.24 11.89 26.03 0 -2.2 0
d1_ 0 0 0 5.99 0 12.53 c4_ 0 0 0 7.5 0 -0.92
d2_ -5.4 -12.34 29.51 0 13.1 0 c5_ -4.12 2.76 -2.2 0 11.16 0
d3_ 0 0 0 10.46 0 2.63 c6_ 0 0 0 -0.92 0 9.58
67
Crystal Name:      Chemical Formula: (C₆ H₆ Ag₁ N₃ S₁)n     H-M Space Group: P 21


HD View  3D View  Crystal Details
XEZZOV		 e1_ 0 0 0 0.02 0 -0.01 c1_ 35.05 12.87 13.08 0 2.06 0
e2_ 0.12 0.05 0.07 0 0.08 0 c2_ 12.87 22.57 11.21 0 0.51 0
e3_ 0 0 0 0.02 0 0.03 c3_ 13.08 11.21 21.92 0 3.99 0
d1_ 0 0 0 3.09 0 -0.4 c4_ 0 0 0 4.88 0 -1.45
d2_ 2.57 2.18 -3.64 0 22.23 0 c5_ 2.06 0.51 3.99 0 3.92 0
d3_ 0 0 0 5.7 0 6.75 c6_ 0 0 0 -1.45 0 5.34
68
Crystal Name:      Chemical Formula: (C₁₂ H₉ Cu₁ N₆ Na₁ O₆ S₃)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
OBOYOW		 e1_ 0.01 0.03 -0.01 0.01 -0.01 -0.02 c1_ -64.54 -55.2 -64.32 3.49 -2.17 5.6
e2_ -0.02 -0.02 -0.02 0.03 -0.02 0.02 c2_ -55.2 -11.09 -54.06 5.07 0.12 12.51
e3_ 0 0.01 0.05 -0.04 -0.02 -0.03 c3_ -64.32 -54.06 -24.8 -3.68 -14.28 10.43
d1_ -1.34 1.43 -0.02 4.09 -2.56 -4.22 c4_ 3.49 5.07 -3.68 5.43 3.37 2.18
d2_ 0.48 -0.25 0.53 8.42 -3.62 -0.91 c5_ -2.17 0.12 -14.28 3.37 10.78 -1.27
d3_ -1.2 0.82 -0.05 -7.86 0.37 -1.06 c6_ 5.6 12.51 10.43 2.18 -1.27 10.14
69
Crystal Name:      Chemical Formula: (C₃ H₄ Ag₁ N₉ O₄)n     H-M Space Group: P c


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LIKCUH		 e1_ 0.03 -0.01 -0.15 0 -0.02 0 c1_ 43.96 22.14 21.59 0 10.47 0
e2_ 0 0 0 0.06 0 -0.03 c2_ 22.14 29.04 17.1 0 3.53 0
e3_ 0.06 0.09 0.05 0 -0.01 0 c3_ 21.59 17.1 27.88 0 5.7 0
d1_ 5.2 2.05 -10.22 0 -2.08 0 c4_ 0 0 0 5.99 0 0.59
d2_ 0 0 0 10.15 0 -3.34 c5_ 10.47 3.53 5.7 0 11.92 0
d3_ 0.17 2.99 0.26 0 -2.13 0 c6_ 0 0 0 0.59 0 9.82
70
Crystal Name:      Chemical Formula: (C₂ Ag₁ N₃)n     H-M Space Group: P 31 2 1


HD View  3D View  Crystal Details
EWEXUB		 e1_ -0.01 0.01 0 -0.04 0 0 c1_ 19.96 6.81 -0.19 -1.46 -0.33 -0.12
e2_ 0 0 0 0 0.05 0.01 c2_ 6.81 19.73 0.33 2.12 -0.37 -0.07
e3_ 0 0 -0.02 0 -0.01 0 c3_ -0.19 0.33 39.98 0.68 -0.71 -0.11
d1_ -6.35 7.5 0.61 -45.68 -0.23 -0.28 c4_ -1.46 2.12 0.68 1.41 0.01 -0.02
d2_ -0.28 0.79 0.3 -3.33 15.76 5.06 c5_ -0.33 -0.37 -0.71 0.01 3.72 -1.79
d3_ -0.25 0.11 -0.42 -1.47 -2.65 -0.55 c6_ -0.12 -0.07 -0.11 -0.02 -1.79 6.59
71
Crystal Name:      Chemical Formula: (C₆ H₁₈ Cu₁ O₁₃)n     H-M Space Group: P 1


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AGAMAY		 e1_ 0.02 0.12 0.08 -0.09 -0.13 0.08 c1_ -5.15 -11.4 -18.54 9.39 -2.1 6.47
e2_ 0.26 0.31 0.21 0.12 -0.06 0.13 c2_ -11.4 15.11 -18.24 10.2 -1.41 3.41
e3_ -0.05 0.02 -0.43 0.08 0.04 0 c3_ -18.54 -18.24 15.27 16.62 -0.45 1.58
d1_ -7.07 5.12 4.86 -4.53 -29.37 16.91 c4_ 9.39 10.2 16.62 15.56 3.57 1.19
d2_ -2.54 3.64 -0.71 11.9 -25.18 17.34 c5_ -2.1 -1.41 -0.45 3.57 4.8 1.24
d3_ 12.23 3.66 -8.51 1.19 17.1 -11.99 c6_ 6.47 3.41 1.58 1.19 1.24 8.54
72
Crystal Name:      Chemical Formula: (C₃ H₁₀ Cd₁ O₈)n     H-M Space Group: P n


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TONMAK		 e1_ -0.65 -0.59 -0.5 0 0.11 0 c1_ 38.97 4.77 13.98 0 -2.51 0
e2_ 0 0 0 -0.82 0 0.47 c2_ 4.77 30.55 7.28 0 0.85 0
e3_ 0.38 0.31 0.32 0 -0.26 0 c3_ 13.98 7.28 40.08 0 1.32 0
d1_ -11.77 -16.41 -5.83 0 12.4 0 c4_ 0 0 0 9.97 0 5.29
d2_ 0 0 0 -143.48 0 115.72 c5_ -2.51 0.85 1.32 0 8.05 0
d3_ 4.52 9.07 5.82 0 -33.27 0 c6_ 0 0 0 5.29 0 10.66
73
Crystal Name:      Chemical Formula: (C₁₂ H₂₆ Cd₂ N₁₀ S₄)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
AEATCD10		 e1_ -0.03 -0.04 0.01 0.02 -0.01 -0.03 c1_ 13.61 3.21 8.47 -3.09 2.77 0.38
e2_ -0.2 -0.02 0.11 -0.04 0.01 0.01 c2_ 3.21 7.27 7.63 -1.32 -0.7 0.28
e3_ 0.15 0.06 -0.05 0.06 -0.09 0.05 c3_ 8.47 7.63 9.29 -3.21 -1.48 -0.42
d1_ 13.51 -24.42 14.58 39.6 -48.41 3.41 c4_ -3.09 -1.32 -3.21 1.99 -0.01 -0.02
d2_ 1.62 27.27 -47.23 -75.98 -54.12 4.54 c5_ 2.77 -0.7 -1.48 -0.01 0.89 0.61
d3_ 7.88 -78.65 101.83 155.38 -37.92 36.23 c6_ 0.38 0.28 -0.42 -0.02 0.61 3.78
74
Crystal Name:      Chemical Formula: (C₄ H₃ Cu₂ F₁ I₂ N₂)n     H-M Space Group: P 21


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LIPPEJ11		 e1_ 0 0 0 0.02 0 0.12 c1_ -26.1 -44.54 -44.06 0 0.17 0
e2_ -0.2 -0.28 -0.09 0 0.01 0 c2_ -44.54 -29.19 -33.23 0 1.18 0
e3_ 0 0 0 0.03 0 0.01 c3_ -44.06 -33.23 3.11 0 1.11 0
d1_ 0 0 0 6.72 0 20.85 c4_ 0 0 0 2.44 0 0.29
d2_ 4.66 -2.84 4.76 0 3.91 0 c5_ 0.17 1.18 1.11 0 2.73 0
d3_ 0 0 0 10.2 0 1.21 c6_ 0 0 0 0.29 0 5.8
75
Crystal Name:      Chemical Formula: (C₁₁ H₁₈ Ga₁ K₁ N₂ O₁₀)n     H-M Space Group: P 1


HD View  3D View  Crystal Details
CASHUD		 e1_ -0.09 -0.05 -0.02 0 -0.05 -0.08 c1_ 31.51 13.76 10.07 -1.07 0.2 -0.62
e2_ 0.02 0.02 -0.04 -0.06 0.04 -0.12 c2_ 13.76 29.96 13.08 1.22 2.05 -1.81
e3_ -0.14 0.04 0.02 -0.11 -0.1 0.06 c3_ 10.07 13.08 33.95 3.03 1.23 0.52
d1_ -3.22 -0.91 1.19 -1.39 -5.39 -12.34 c4_ -1.07 1.22 3.03 8.03 0.78 -0.83
d2_ 0.16 -0.34 -0.09 -9.75 5.91 -18.27 c5_ 0.2 2.05 1.23 0.78 8.25 -0.04
d3_ -8.17 5.8 2.35 -15.22 -11.79 7.03 c6_ -0.62 -1.81 0.52 -0.83 -0.04 7.21






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