CrystalDFT - Actuate Lab | Piezoelectricity

ID	Crystal Image	COD/CSD ID	Piezoelectric Stress [C/m²] / Strain Constants [pC/N]							Elastic Constants [GPa]
ID	Crystal Image	COD/CSD ID	ed_ij	ed_{_1}	ed_{_2}	ed_{_3}	ed_{_4}	ed_{_5}	ed_{_6}	c_ij	c_{_1}	c_{_2}	c_{_3}	c_{_4}	c_{_5}	c_{_6}
426	Crystal Name: (R)-2-phenylpropionic acid Chemical Formula: C₉H₁₀O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2104247
			e_{1_}	0	0	0	0.02	0	0.01	c_{1_}	14.09	10.06	9.48	0	0.53	0
			e_{2_}	0.03	0.02	0.03	0	0.01	0	c_{2_}	10.06	23.39	9.66	0	2.76	0
			e_{3_}	0	0	0	-0.01	0	0.01	c_{3_}	9.48	9.66	15.73	0	-1.57	0
			d_{1_}	0	0	0	3.57	0	0.42	c_{4_}	0	0	0	5.67	0	2.06
			d_{2_}	1.09	-0.78	2.05	0	2.84	0	c_{5_}	0.53	2.76	-1.57	0	5.37	0
			d_{3_}	0	0	0	-3.1	0	3.12	c_{6_}	0	0	0	2.06	0	6.23
427	Crystal Name: (2-Furyl)oxoacetamide Chemical Formula: C₆H₅NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7201799
			e_{1_}	0	0	0	0.04	0	-0.01	c_{1_}	23.91	8.25	12.52	0	-4.45	0
			e_{2_}	0.07	0.03	0.06	0	-0.02	0	c_{2_}	8.25	25.17	22.53	0	-2.46	0
			e_{3_}	0	0	0	0.09	0	-0.03	c_{3_}	12.52	22.53	33.21	0	-8.37	0
			d_{1_}	0	0	0	2.56	0	-1.47	c_{4_}	0	0	0	14.86	0	-1.86
			d_{2_}	2.38	-2.08	2.78	0	1.92	0	c_{5_}	-4.45	-2.46	-8.37	0	6.45	0
			d_{3_}	0	0	0	5.26	0	-3.8	c_{6_}	0	0	0	-1.86	0	4.37
428	Crystal Name: 3-Methyl-1H-isochromen-1-one Chemical Formula: C₁₀H₈O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4027223
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	13.23	8.31	7.57	0	-1.44	0
			e_{2_}	-0.08	0.19	-0.13	0	0.01	0	c_{2_}	8.31	31.79	12.49	0	-3.44	0
			e_{3_}	0	0	0	-0.01	0	0.01	c_{3_}	7.57	12.49	10.57	0	-1.03	0
			d_{1_}	0	0	0	1.15	0	4.79	c_{4_}	0	0	0	6.39	0	-2.45
			d_{2_}	3.51	21.43	-38.83	0	9.84	0	c_{5_}	-1.44	-3.44	-1.03	0	4.49	0
			d_{3_}	0	0	0	-2.21	0	0.11	c_{6_}	0	0	0	-2.45	0	3.37
429	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
			e_{1_}	-0.34	0.03	-0.01	0	-0.03	0	c_{1_}	44.15	5.82	9.56	0	2.74	0
			e_{2_}	0	0	0	-0.02	0	-0.02	c_{2_}	5.82	15.68	9.1	0	-2.07	0
			e_{3_}	-0.02	-0.01	0.01	0	-0.11	0	c_{3_}	9.56	9.1	18.64	0	2.26	0
			d_{1_}	-8.54	3.53	2.05	0	-0.95	0	c_{4_}	0	0	0	4.14	0	0.16
			d_{2_}	0	0	0	-3.77	0	-8.25	c_{5_}	2.74	-2.07	2.26	0	6.98	0
			d_{3_}	0.29	-7.26	6.5	0	-19.91	0	c_{6_}	0	0	0	0.16	0	2.47
430	Crystal Name: 1-(4-Methoxyphenyl)-3-methyl-4-phenyl-1,4-dihydroindeno[1,2-c]pyrazole Chemical Formula: C₂₄H₁₉N₂O H-M Space Group: P1 HD View 3D View Crystal Details	4101867
			e_{1_}	0	-0.04	0	-0.02	0.02	0	c_{1_}	14.27	13.76	10.33	0.19	1.86	-2.21
			e_{2_}	0.01	0.03	-0.02	-0.01	-0.02	-0.04	c_{2_}	13.76	17.61	8.92	0.02	-0.27	-5.6
			e_{3_}	0.01	0.05	0.02	0.05	0.02	-0.01	c_{3_}	10.33	8.92	19.92	2.82	4.02	2.35
			d_{1_}	10.88	-16.6	5.26	-10.49	-2.97	-10.05	c_{4_}	0.19	0.02	2.82	2.56	0.75	0.87
			d_{2_}	7.74	-11.26	4.59	-1.17	-12.67	-13.62	c_{5_}	1.86	-0.27	4.02	0.75	4.35	0.18
			d_{3_}	-24.13	34.18	-11.47	18.35	24.23	19.42	c_{6_}	-2.21	-5.6	2.35	0.87	0.18	6.94
431	Crystal Name: Guanidinium 3-amino-6-oxo-6H-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-5-ide monohydrate Chemical Formula: C₄H₁₀N₁₀O₂ H-M Space Group: P1 HD View 3D View Crystal Details	7060604
			e_{1_}	0.01	0.06	0.02	-0.07	0	-0.06	c_{1_}	19.25	17.18	17.41	-1.5	5.08	-1.54
			e_{2_}	-0.06	0.47	-0.12	-0.19	-0.12	-0.17	c_{2_}	17.18	67.22	28.97	3.98	15.17	0.79
			e_{3_}	-0.04	0	-0.1	0.03	-0.09	-0.01	c_{3_}	17.41	28.97	35.13	-1.41	11.8	-2.13
			d_{1_}	-2.01	3.45	-0.66	-5.74	-5.69	-16.46	c_{4_}	-1.5	3.98	-1.41	8.62	-1.61	2.78
			d_{2_}	-13.77	24.89	-9.55	-25.46	-35.63	-56.6	c_{5_}	5.08	15.17	11.8	-1.61	12.37	-1.47
			d_{3_}	-1.46	3.82	-2.27	2.69	-10.77	-12.87	c_{6_}	-1.54	0.79	-2.13	2.78	-1.47	3.72
432	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516357
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	21.59	13.17	5.31	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.17	30.02	8.85	0	0	0
			e_{3_}	0.09	0.03	0.04	0	0	0	c_{3_}	5.31	8.85	23.64	0	0	0
			d_{1_}	0	0	0	0	-70.23	0	c_{4_}	0	0	0	1.94	0	0
			d_{2_}	0	0	0	4.86	0	0	c_{5_}	0	0	0	0	-0.25	0
			d_{3_}	4.58	-1.47	1.07	0	0	0	c_{6_}	0	0	0	0	0	5.4
433	Crystal Name: Trans-stilbazole Chemical Formula: C₁₃H₁₁N H-M Space Group: Pc HD View 3D View Crystal Details	7050702
			e_{1_}	0	0.02	-0.11	0	0.06	0	c_{1_}	12.78	11.24	13.95	0	-1.08	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	11.24	12.77	9.91	0	0.33	0
			e_{3_}	0.04	-0.01	0.16	0	-0.08	0	c_{3_}	13.95	9.91	30.54	0	-8.8	0
			d_{1_}	2.8	1.65	-3.78	0	5.37	0	c_{4_}	0	0	0	1.55	0	1.71
			d_{2_}	0	0	0	8.19	0	-2.74	c_{5_}	-1.08	0.33	-8.8	0	5.27	0
			d_{3_}	16.16	-13.14	-2.25	0	-14.71	0	c_{6_}	0	0	0	1.71	0	5.62
434	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200054
			e_{1_}	0	0	0	0.03	0	0.02	c_{1_}	16.59	7.46	12.95	0	-3.54	0
			e_{2_}	0.02	-0.17	-0.02	0	0.05	0	c_{2_}	7.46	19.08	13.33	0	-0.23	0
			e_{3_}	0	0	0	0.03	0	-0.01	c_{3_}	12.95	13.33	20.86	0	-4.86	0
			d_{1_}	0	0	0	13.08	0	27.14	c_{4_}	0	0	0	8.17	0	-2.75
			d_{2_}	2.94	-18.79	12.91	0	16.55	0	c_{5_}	-3.54	-0.23	-4.86	0	6.98	0
			d_{3_}	0	0	0	3.83	0	-0.11	c_{6_}	0	0	0	-2.75	0	2.1
435	Crystal Name: (3aR,5S,6R,6aR)-6-hydroxy-5-hydroxymethyl-perhydrofuro [3,2-b]furan-2-one Chemical Formula: C₇H₁₀O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	8101488
			e_{1_}	0	0	0	0.07	0	-0.09	c_{1_}	26.34	13.15	11.83	0	-0.59	0
			e_{2_}	-0.04	-0.04	-0.08	0	0.02	0	c_{2_}	13.15	20.69	8.06	0	2.65	0
			e_{3_}	0	0	0	-0.01	0	0.02	c_{3_}	11.83	8.06	30.21	0	-4.21	0
			d_{1_}	0	0	0	16.35	0	-21.48	c_{4_}	0	0	0	5.01	0	0.38
			d_{2_}	0.32	-2.38	-1.39	0	4.29	0	c_{5_}	-0.59	2.65	-4.21	0	5.29	0
			d_{3_}	0	0	0	-1.53	0	4.5	c_{6_}	0	0	0	0.38	0	4.47
436	Crystal Name: (R)-2-Phenylbutanamide Chemical Formula: C₁₀H₁₃NO H-M Space Group: P1 HD View 3D View Crystal Details	4511391
			e_{1_}	0.03	0.01	0.01	-0.01	0.01	0	c_{1_}	28.45	7.11	9.46	0.75	0.23	0.35
			e_{2_}	0.02	-0.02	-0.01	-0.01	-0.01	0.01	c_{2_}	7.11	16.88	7.79	0.45	-0.9	-0.83
			e_{3_}	-0.01	-0.01	-0.02	-0.01	-0.01	0	c_{3_}	9.46	7.79	13.52	3.44	-0.34	0.07
			d_{1_}	0.81	-0.17	0.65	-0.65	5.38	-5.96	c_{4_}	0.75	0.45	3.44	6.29	-0.14	0.57
			d_{2_}	1.03	-1.47	-0.31	-1.86	-8.28	7.99	c_{5_}	0.23	-0.9	-0.34	-0.14	2.99	1.35
			d_{3_}	0.18	0.35	-1.87	-1.46	-4.34	5.17	c_{6_}	0.35	-0.83	0.07	0.57	1.35	2.06
437	Crystal Name: Nitrogenous cyclonerane sesquiterpenes Chemical Formula: C₇.₅H₁₅O₂ H-M Space Group: P1 HD View 3D View Crystal Details	1555129
			e_{1_}	0.05	-0.02	0.03	0.07	-0.01	-0.01	c_{1_}	26.52	7.04	8.4	1.67	-0.91	1.63
			e_{2_}	-0.01	-0.07	-0.02	0.01	0.02	-0.01	c_{2_}	7.04	21.14	13.88	4.24	2.45	0.11
			e_{3_}	-0.02	0.03	-0.01	-0.01	0	0.02	c_{3_}	8.4	13.88	23.71	2.01	-0.92	4.88
			d_{1_}	1.49	-11.4	9.77	22.74	-8.6	-23.14	c_{4_}	1.67	4.24	2.01	8.88	4.57	2.73
			d_{2_}	0.44	-8.33	5.71	4.61	3.22	-9.47	c_{5_}	-0.91	2.45	-0.92	4.57	7.63	0.3
			d_{3_}	-0.87	6.76	-5.98	-7	0.17	12.17	c_{6_}	1.63	0.11	4.88	2.73	0.3	5.31
438	Crystal Name: ZY_072_lit Chemical Formula: C₁₅H₂₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	4128463
			e_{1_}	0	-0.02	-0.01	-0.01	0	0.05	c_{1_}	29.16	8.64	7.69	0.2	-0.7	-1.44
			e_{2_}	0.03	0.1	0.01	0	-0.04	0.07	c_{2_}	8.64	21.44	11.59	1.69	-0.57	-0.5
			e_{3_}	-0.05	-0.01	0.03	0.04	0.03	-0.02	c_{3_}	7.69	11.59	25.08	-3.56	1.02	0.19
			d_{1_}	0.7	-0.97	-0.14	0.16	0.29	8.37	c_{4_}	0.2	1.69	-3.56	7.34	0.35	-1.14
			d_{2_}	0.36	5.98	-2.61	-0.27	-3.87	11.76	c_{5_}	-0.7	-0.57	1.02	0.35	6.56	-0.29
			d_{3_}	-2.19	-1.88	3.71	6.54	2.73	-2.64	c_{6_}	-1.44	-0.5	0.19	-1.14	-0.29	5.91
439	Crystal Name: (S)-3-methyl-2-oxepanone Chemical Formula: C₇H₁₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2217839
			e_{1_}	0	0	0	0	0	0.03	c_{1_}	19.87	8.8	6.11	0	0.64	0
			e_{2_}	-0.03	0.01	0.01	0	0.02	0	c_{2_}	8.8	16.18	6.98	0	-1.56	0
			e_{3_}	0	0	0	0.03	0	0	c_{3_}	6.11	6.98	24.18	0	0.64	0
			d_{1_}	0	0	0	1.02	0	8.02	c_{4_}	0	0	0	3.29	0	-0.64
			d_{2_}	-2.92	2.75	0.13	0	3.68	0	c_{5_}	0.64	-1.56	0.64	0	6	0
			d_{3_}	0	0	0	7.69	0	0.34	c_{6_}	0	0	0	-0.64	0	3.8
440	Crystal Name: 1,3,5-Tricyanobenzene Chemical Formula: C₉H₃N₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2004185
			e_{1_}	0	0	0	-0.04	0	-0.13	c_{1_}	25.15	8.9	10.44	0	7.73	0
			e_{2_}	-0.1	0.14	0.01	0	-0.03	0	c_{2_}	8.9	26.05	9.82	0	0.87	0
			e_{3_}	0	0	0	0.06	0	-0.04	c_{3_}	10.44	9.82	19.48	0	1.64	0
			d_{1_}	0.01	0	0	-2.24	-0.02	-17.63	c_{4_}	0	0	0	5.08	0	1.84
			d_{2_}	-29.11	11.55	4.91	0	61.86	0	c_{5_}	7.73	0.87	1.64	0	2.85	0
			d_{3_}	0	0	0	14.21	0	-9.25	c_{6_}	0	0	0	1.84	0	6.96
441	Crystal Name: N-(4-Nitrophenyl)-L-prolinol Chemical Formula: C₁₁H₁₄N₂O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2101285
			e_{1_}	0	0	0	0.21	0	-0.01	c_{1_}	10.04	3.64	26.69	0	-6.56	0
			e_{2_}	-0.57	-0.09	0.34	0	-0.09	0	c_{2_}	3.64	10.78	-19.26	0	7.9	0
			e_{3_}	0	0	0	-1.15	0	0.33	c_{3_}	26.69	-19.26	169.59	0	-58.08	0
			d_{1_}	0	0	0	19.73	0	-4.04	c_{4_}	0	0	0	10.49	0	-1.28
			d_{2_}	2188.58	-1507.07	-958.69	0	-1299.52	0	c_{5_}	-6.56	7.9	-58.08	0	22.71	0
			d_{3_}	0	0	0	-116.27	0	-54.23	c_{6_}	0	0	0	-1.28	0	-3.38
442	Crystal Name: 5-amino-1H-tetrazole Chemical Formula: CH₃N₅ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7205236
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	65.81	13.96	24.98	0	0	0
			e_{2_}	0	0	0	0	0.18	0	c_{2_}	13.96	24.52	13.57	0	0	0
			e_{3_}	0	0	0	0	0	0.03	c_{3_}	24.98	13.57	37.96	0	0	0
			d_{1_}	0	0	0	1.97	0	0	c_{4_}	0	0	0	8.58	0	0
			d_{2_}	0	0	0	0	8.46	0	c_{5_}	0	0	0	0	21.15	0
			d_{3_}	0	0	0	0	0	17.31	c_{6_}	0	0	0	0	0	1.86
443	Crystal Name: 2H-5-Nitrotetrazole Chemical Formula: CHN₅O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7051604
			e_{1_}	0	0	0	-0.05	0	-0.1	c_{1_}	13.96	13.08	12.24	0	2.43	0
			e_{2_}	0	-0.29	0.01	0	-0.05	0	c_{2_}	13.08	35.13	8.87	0	6.99	0
			e_{3_}	0	0	0	-0.05	0	-0.01	c_{3_}	12.24	8.87	14.85	0	-0.59	0
			d_{1_}	0	0	0	1.55	0	-10.67	c_{4_}	0	0	0	8.26	0	6.17
			d_{2_}	20.39	-13.56	-8.3	0	-1.25	0	c_{5_}	2.43	6.99	-0.59	0	10.35	0
			d_{3_}	0	0	0	-9.89	0	5.45	c_{6_}	0	0	0	6.17	0	9.95
444	Crystal Name: (3R)-3-acetamido-3-methyl-1-[1-(N-methylcarbamoyl)isopropyl]azetidin-2-one Chemical Formula: C₁₁H₁₉N₃O₃ H-M Space Group: P1 HD View 3D View Crystal Details	4027860
			e_{1_}	-0.13	0.07	0.01	0.03	0.04	0.01	c_{1_}	20.57	7.12	9.11	-0.16	-0.51	-0.25
			e_{2_}	-0.03	0.12	0.05	0.11	-0.01	-0.03	c_{2_}	7.12	20.63	12.51	5.01	-0.03	2.25
			e_{3_}	0.02	0.04	0.25	0.14	-0.09	-0.04	c_{3_}	9.11	12.51	34.08	9.61	-6.93	-2.77
			d_{1_}	-8.91	3.61	3.85	0.52	11.76	3.2	c_{4_}	-0.16	5.01	9.61	10.4	-2.23	-1.85
			d_{2_}	-1.85	8.71	-5.82	9.42	-6.4	-7.71	c_{5_}	-0.51	-0.03	-6.93	-2.23	5.66	-0.87
			d_{3_}	-0.24	-2.69	4.6	8.25	-6.64	-2.47	c_{6_}	-0.25	2.25	-2.77	-1.85	-0.87	6.45
445	Crystal Name: 2-Acrylamido-2-hydroxymethylpropan-1,3-diol Chemical Formula: C₇H₁₃NO₄ H-M Space Group: Pc HD View 3D View Crystal Details	2003435
			e_{1_}	0.15	0.01	-0.06	0	-0.06	0	c_{1_}	25.83	11.64	7.36	0	1.71	0
			e_{2_}	0	0	0	-0.01	0	0.05	c_{2_}	11.64	24.19	12.82	0	0.35	0
			e_{3_}	0.12	-0.05	-0.27	0	-0.04	0	c_{3_}	7.36	12.82	27.31	0	-3.26	0
			d_{1_}	10.04	0.41	-8.58	0	-29.42	0	c_{4_}	0	0	0	6.23	0	-0.95
			d_{2_}	0	0	0	-1.35	0	5.59	c_{5_}	1.71	0.35	-3.26	0	3.67	0
			d_{3_}	10.43	3.03	-17.86	0	-31.95	0	c_{6_}	0	0	0	-0.95	0	8.12
446	Crystal Name: (2E,4R,5R,6S)-2-(4,5,6-Trihydroxycyclohex-2-en-1-ylidene)acetonitrile Chemical Formula: C₈H₉NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2236498
			e_{1_}	0	0	0	0.08	0	0.06	c_{1_}	24.63	9.94	15.88	0	2.28	0
			e_{2_}	0.02	0.05	-0.18	0	-0.13	0	c_{2_}	9.94	18.28	11.82	0	3.81	0
			e_{3_}	0	0	0	0.01	0	0.03	c_{3_}	15.88	11.82	32.63	0	5.4	0
			d_{1_}	0	0	0	6.14	0	3.02	c_{4_}	0	0	0	9.85	0	5.23
			d_{2_}	3.51	9.76	-7.27	0	-20.84	0	c_{5_}	2.28	3.81	5.4	0	6.32	0
			d_{3_}	0	0	0	-0.81	0	3.82	c_{6_}	0	0	0	5.23	0	8.59
447	Crystal Name: Formamidobenzoic acid Chemical Formula: C₈H₇N₁O₃ H-M Space Group: Pc HD View 3D View Crystal Details	2011704
			e_{1_}	0.16	0.03	-0.07	0	-0.08	0	c_{1_}	77.01	19.07	34.12	0	26.46	0
			e_{2_}	0	0	0	-0.01	0	0.05	c_{2_}	19.07	23.03	10.64	0	3.06	0
			e_{3_}	-0.25	-0.04	-0.19	0	-0.15	0	c_{3_}	34.12	10.64	28.04	0	14.49	0
			d_{1_}	9.38	-0.78	-9.46	0	-8.33	0	c_{4_}	0	0	0	1.69	0	-1.58
			d_{2_}	0	0	0	-2.57	0	5.24	c_{5_}	26.46	3.06	14.49	0	22.48	0
			d_{3_}	0.15	1.06	-5.4	0	-3.5	0	c_{6_}	0	0	0	-1.58	0	9.57
448	Crystal Name: Acetonitrile Chemical Formula: C₂H₃N H-M Space Group: Cmc2₁ HD View 3D View Crystal Details	1504385
			e_{1_}	0	0	0	0	-0.13	0	c_{1_}	14.82	5.62	5.46	0	0	0
			e_{2_}	0	0	0	-0.08	0	0	c_{2_}	5.62	18.99	10.47	0	0	0
			e_{3_}	-0.12	-0.04	-0.06	0	0	0	c_{3_}	5.46	10.47	17.25	0	0	0
			d_{1_}	0	0	0	0	-29.8	0	c_{4_}	0	0	0	10.37	0	0
			d_{2_}	0	0	0	-7.93	0	0	c_{5_}	0	0	0	0	4.3	0
			d_{3_}	-7.77	0.91	-1.45	0	0	0	c_{6_}	0	0	0	0	0	4.38
449	Crystal Name: Methyl-alpha xylofuranoside Chemical Formula: C₆H₁₂O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	2103593
			e_{1_}	0	0	0	-0.07	0	0.11	c_{1_}	29.59	12.37	14.79	0	-2.04	0
			e_{2_}	0.11	0.15	-0.04	0	-0.05	0	c_{2_}	12.37	34.18	14.84	0	-1.88	0
			e_{3_}	0	0	0	0	0	-0.09	c_{3_}	14.79	14.84	17.4	0	-2.71	0
			d_{1_}	0	0	0	-4.46	0	8.5	c_{4_}	0	0	0	12.82	0	-1.85
			d_{2_}	8.95	8.75	-18.5	0	-6.43	0	c_{5_}	-2.04	-1.88	-2.71	0	9.51	0
			d_{3_}	0	0	0	-1.48	0	-7.63	c_{6_}	0	0	0	-1.85	0	11.97
450	Crystal Name: Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	7219317
			e_{1_}	-0.08	0.08	0	-0.08	-0.1	0.02	c_{1_}	36.97	21.03	19.34	-1.39	0.91	0
			e_{2_}	0.02	-0.02	0	-0.1	0.08	0.08	c_{2_}	21.03	36.97	19.34	1.39	-0.91	0
			e_{3_}	0.02	0.02	-0.82	0	0	0	c_{3_}	19.34	19.34	85.11	0	0	0
			d_{1_}	-5.2	5.2	0	-6.06	-5.55	1.18	c_{4_}	-1.39	1.39	0	15.31	0	-0.91
			d_{2_}	0.59	-0.59	0	-5.55	6.06	10.4	c_{5_}	0.91	-0.91	0	0	15.31	-1.39
			d_{3_}	4.23	4.23	-11.52	0	0	0	c_{6_}	0	0	0	-0.91	-1.39	7.97

Predicted Material Properties Repository and Database (CrystalDFT)

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