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}
26	Crystal Name: (+-)-trans-1,2-Diaminocyclohexane Chemical Formula: C₆H₁₄N₂ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	7206638
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	14.98	6.02	7.67	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	6.02	23.4	1.76	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	7.67	1.76	22.09	0	0	0
			d_{1_}	0	0	0	-5.16	0	0	c_{4_}	0	0	0	3.28	0	0
			d_{2_}	0	0	0	0	2.67	0	c_{5_}	0	0	0	0	5.47	0
			d_{3_}	0	0	0	0	0	-4.49	c_{6_}	0	0	0	0	0	9.42
27	Crystal Name: (S)-2-Phenylbutanamide Chemical Formula: C₁₀H₁₃NO H-M Space Group: P1 HD View 3D View Crystal Details	4511392
			e_{1_}	-0.03	-0.01	-0.01	0.01	-0.01	0	c_{1_}	27.96	7.29	9.8	0.81	-0.12	0.18
			e_{2_}	-0.01	0.02	0.01	0.01	0.01	-0.01	c_{2_}	7.29	16.55	7.81	0.53	-1.05	-0.74
			e_{3_}	0.01	0.01	0.03	0.01	0	0	c_{3_}	9.8	7.81	13.97	3.39	-0.73	0.03
			d_{1_}	-0.88	0.25	-0.77	0.72	-5.12	5.59	c_{4_}	0.81	0.53	3.39	6.27	-0.01	0.67
			d_{2_}	-1.05	1.42	0.6	1.84	8.24	-8.08	c_{5_}	-0.12	-1.05	-0.73	-0.01	3.09	1.43
			d_{3_}	-0.19	-0.42	2.07	1.43	3.94	-4.82	c_{6_}	0.18	-0.74	0.03	0.67	1.43	2.16
28	Crystal Name: 1,3-diamino-2,4,6-trinitrobenzene (DATB) Chemical Formula: C₆H₅N₅O₆ H-M Space Group: Pc HD View 3D View Crystal Details	1516365
			e_{1_}	0.09	0.14	-0.11	0	-0.14	0	c_{1_}	41.91	19.96	10.49	0	4.63	0
			e_{2_}	0	0	0	-0.01	0	0.07	c_{2_}	19.96	16.26	10.95	0	-1.18	0
			e_{3_}	-0.03	0.01	-0.06	0	-0.05	0	c_{3_}	10.49	10.95	18.62	0	0.96	0
			d_{1_}	5.69	6.69	-10.99	0	-35.19	0	c_{4_}	0	0	0	4.12	0	-2.05
			d_{2_}	0	0	0	-0.74	0	4.34	c_{5_}	4.63	-1.18	0.96	0	4.24	0
			d_{3_}	1.39	0.41	-3.73	0	-12.97	0	c_{6_}	0	0	0	-2.05	0	15.1
29	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232407
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	11.93	8.16	9.36	0	0.39	0
			e_{2_}	0.04	0.04	0	0	-0.01	0	c_{2_}	8.16	14.08	10.02	0	1.03	0
			e_{3_}	0	0	0	0.02	0	0.01	c_{3_}	9.36	10.02	14.04	0	-0.03	0
			d_{1_}	0	0	0	-5.42	0	0.18	c_{4_}	0	0	0	5.18	0	1.06
			d_{2_}	5.07	4.33	-6.14	0	-3.46	0	c_{5_}	0.39	1.03	-0.03	0	4.61	0
			d_{3_}	0	0	0	4.15	0	0.3	c_{6_}	0	0	0	1.06	0	4.82
30	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516351
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	23.31	14.86	5.48	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	14.86	33.18	9.76	0	0	0
			e_{3_}	0.07	0.03	0.04	0	0	0	c_{3_}	5.48	9.76	24.94	0	0	0
			d_{1_}	0	0	0	0	-112.8	0	c_{4_}	0	0	0	1.81	0	0
			d_{2_}	0	0	0	5.21	0	0	c_{5_}	0	0	0	0	-0.15	0
			d_{3_}	3.22	-1.02	1.27	0	0	0	c_{6_}	0	0	0	0	0	6.37
31	Crystal Name: L-fucitol Chemical Formula: C₆H₁₄O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	2219092
			e_{1_}	0	0	0	-0.03	0	-0.01	c_{1_}	31.49	12.2	12.2	0	-6.36	0
			e_{2_}	0.02	-0.05	0.02	0	-0.01	0	c_{2_}	12.2	22.56	11.34	0	-0.7	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	12.2	11.34	33.68	0	-0.81	0
			d_{1_}	0	0	0	-3.11	0	0.3	c_{4_}	0	0	0	10.01	0	4.43
			d_{2_}	1.53	-3.47	1.2	0	-0.28	0	c_{5_}	-6.36	-0.7	-0.81	0	8.75	0
			d_{3_}	0	0	0	0.59	0	-0.83	c_{6_}	0	0	0	4.43	0	6.95
32	Crystal Name: Pirfenidone Chemical Formula: C₁₂H₁₁NO H-M Space Group: P2₁ HD View 3D View Crystal Details	2242976
			e_{1_}	0	0	0	0.03	0	0.04	c_{1_}	18.28	10.3	11.6	0	1.58	0
			e_{2_}	0.12	0.03	0.01	0	0.03	0	c_{2_}	10.3	11.21	10.43	0	-0.74	0
			e_{3_}	0	0	0	0.03	0	0.01	c_{3_}	11.6	10.43	25.3	0	1.84	0
			d_{1_}	0	0	0	24.09	0	27.1	c_{4_}	0	0	0	2.84	0	-1.49
			d_{2_}	10.49	-4.19	-3.06	0	4.34	0	c_{5_}	1.58	-0.74	1.84	0	4.05	0
			d_{3_}	0	0	0	16.23	0	10.56	c_{6_}	0	0	0	-1.49	0	2.82
33	Crystal Name: 1,3-dimethylurea Chemical Formula: C₃H₈N₂O H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	1516355
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	3.43	-1.25	11.4	0	0	0
			e_{2_}	0	0	0	0	0.12	0	c_{2_}	-1.25	-2.27	14.2	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	11.4	14.2	51.67	0	0	0
			d_{1_}	0	0	0	2.9	0	0	c_{4_}	0	0	0	3.24	0	0
			d_{2_}	0	0	0	0	143.66	0	c_{5_}	0	0	0	0	0.84	0
			d_{3_}	0	0	0	0	0	-0.76	c_{6_}	0	0	0	0	0	9.53
34	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566501
			e_{1_}	0	0	0	0.07	0	0	c_{1_}	14.16	13.94	12.21	0	0	0
			e_{2_}	0	0	0	0	0.07	0	c_{2_}	13.94	14.16	12.21	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.21	12.21	68.14	0	0	0
			d_{1_}	0	0	0	9.11	0	0	c_{4_}	0	0	0	8.09	0	0
			d_{2_}	0	0	0	0	9.11	0	c_{5_}	0	0	0	0	8.09	0
			d_{3_}	0	0	0	0	0	-1.63	c_{6_}	0	0	0	0	0	18.49
35	Crystal Name: L-Argininium(+) maleate(-) dihydrate Chemical Formula: C₁₀H₂₂N₄O₈ H-M Space Group: P1 HD View 3D View Crystal Details	2213757
			e_{1_}	0.01	-0.17	-0.04	-0.01	0	0.13	c_{1_}	30.28	30.12	13.57	-0.39	2.95	4.28
			e_{2_}	0.01	0.35	0.09	0.01	0.06	-0.08	c_{2_}	30.12	21.29	15.44	-4.17	2.29	8.24
			e_{3_}	-0.13	0.03	-0.09	0.02	-0.02	-0.04	c_{3_}	13.57	15.44	48.3	-6.25	12.8	-0.9
			d_{1_}	-17.85	17.79	-1.2	11.33	4.93	4.83	c_{4_}	-0.39	-4.17	-6.25	5.22	-1.08	0.04
			d_{2_}	28.64	-29.6	0	-18.81	3.7	4.13	c_{5_}	2.95	2.29	12.8	-1.08	8.01	-0.94
			d_{3_}	9.68	-13.88	-0.51	-8.18	-2.7	2.2	c_{6_}	4.28	8.24	-0.9	0.04	-0.94	12.06
36	Crystal Name: 6-Acetyl-2-(1-aminoethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione Chemical Formula: C₁₈H₁₇NO₆ H-M Space Group: P1 HD View 3D View Crystal Details	1543335
			e_{1_}	0.01	0	0	0	0	0	c_{1_}	0.76	0.65	0.19	0.01	0.26	0.22
			e_{2_}	0	0.02	0	0	0	0.01	c_{2_}	0.65	5.95	0.68	0.35	0.02	0.98
			e_{3_}	0	0	0	0	0	0	c_{3_}	0.19	0.68	0.11	0.03	0.19	0.34
			d_{1_}	6.8	5.55	14.59	22.4	36.69	-52.91	c_{4_}	0.01	0.35	0.03	-0.12	-0.01	0
			d_{2_}	-40.57	7.65	80.37	10.73	82.71	-64.63	c_{5_}	0.26	0.02	0.19	-0.01	-0.05	0
			d_{3_}	-20.26	2.81	14.77	-13.58	38.2	-8.04	c_{6_}	0.22	0.98	0.34	0	0	0.27
37	Crystal Name: 1-Benzyl-2-phenylbenzimidazolium nitrate Chemical Formula: C₂₀H₁₇N₃O₃ H-M Space Group: P1 HD View 3D View Crystal Details	7206748
			e_{1_}	0.04	0.02	-0.01	0.03	0	0.02	c_{1_}	12.51	11.54	10.46	0.13	-2.88	2.41
			e_{2_}	0.01	-0.06	-0.02	-0.07	0.01	-0.01	c_{2_}	11.54	19.2	14.42	1.5	-2.11	2.74
			e_{3_}	-0.02	-0.11	-0.03	-0.01	-0.05	-0.03	c_{3_}	10.46	14.42	14.06	2.3	-0.22	2.49
			d_{1_}	42.87	25.73	-72.4	50.39	40.67	31.3	c_{4_}	0.13	1.5	2.3	2.21	1.36	-0.48
			d_{2_}	-10.71	-18.53	37.82	-62.74	0.62	-12.46	c_{5_}	-2.88	-2.11	-0.22	1.36	3.92	-2.27
			d_{3_}	-36.93	-44.3	79.44	-14.1	-79.02	-44.01	c_{6_}	2.41	2.74	2.49	-0.48	-2.27	4.63
38	Crystal Name: Cyclobutane-1,2-dione Chemical Formula: C₄H₄O₂ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	2215601
			e_{1_}	0	0	0	0.06	0	0	c_{1_}	14.64	4.55	6.74	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	4.55	11.13	7.18	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	6.74	7.18	14.79	0	0	0
			d_{1_}	0	0	0	12.64	0	0	c_{4_}	0	0	0	5.09	0	0
			d_{2_}	0	0	0	0	0.05	0	c_{5_}	0	0	0	0	3.82	0
			d_{3_}	0	0	0	0	0	1.89	c_{6_}	0	0	0	0	0	7.49
39	Crystal Name: tert-Butyl N-((1S)-2-hydroxy-1-{N-[(1E)-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate Chemical Formula: C₁₆H₂₃N₃O₅ H-M Space Group: P1 HD View 3D View Crystal Details	2230680
			e_{1_}	-0.04	0.02	-0.01	-0.01	0.01	-0.04	c_{1_}	27.13	12.56	13.33	0.94	4.32	-1.65
			e_{2_}	-0.07	-0.11	-0.02	0.05	-0.02	0.06	c_{2_}	12.56	20.65	10.55	-1.39	0.9	-0.15
			e_{3_}	0	-0.04	-0.01	0.01	-0.03	0.01	c_{3_}	13.33	10.55	18.72	0.28	3.05	0.35
			d_{1_}	-4.26	3.17	0.77	-0.36	1.59	-12.74	c_{4_}	0.94	-1.39	0.28	4	0.54	0.31
			d_{2_}	-0.17	-5.19	1.54	8.87	-1.4	16.33	c_{5_}	4.32	0.9	3.05	0.54	9.29	-0.54
			d_{3_}	2	-3.44	0.66	1.36	-3.55	2.01	c_{6_}	-1.65	-0.15	0.35	0.31	-0.54	3.44
40	Crystal Name: (2S,3R)-2-hydroxy-3-(4-nitrophenyl)-1-phenylpent-4-en-1-one Chemical Formula: C₁₇H₁₅NO₄ H-M Space Group: P1 HD View 3D View Crystal Details	4130729
			e_{1_}	-0.14	-0.02	-0.04	0.03	-0.01	0.06	c_{1_}	14.88	8.84	13	0.74	-1.97	-0.99
			e_{2_}	-0.02	-0.01	-0.04	0.04	-0.04	0.01	c_{2_}	8.84	17.54	12.6	-1.77	1.35	-0.18
			e_{3_}	0	0	0.02	-0.01	-0.02	-0.01	c_{3_}	13	12.6	15.91	-1.87	0.19	-0.68
			d_{1_}	-239.01	-8.3	228.73	251.23	-150.38	-37.88	c_{4_}	0.74	-1.77	-1.87	2.92	0.54	0.84
			d_{2_}	-94.6	1.46	87.08	113.27	-71.43	-18.97	c_{5_}	-1.97	1.35	0.19	0.54	4.21	0.44
			d_{3_}	-38.49	-3.2	39.34	35.59	-27.38	-8.23	c_{6_}	-0.99	-0.18	-0.68	0.84	0.44	4.41
41	Crystal Name: 1-Benzyluracil Chemical Formula: C₁₁H₁₀N₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2203540
			e_{1_}	0	0	0	0.02	0	-0.01	c_{1_}	21.59	13.58	18.06	0	3.84	0
			e_{2_}	0.01	0.13	-0.03	0	0.01	0	c_{2_}	13.58	26.96	11.34	0	7.13	0
			e_{3_}	0	0	0	-0.01	0	0.02	c_{3_}	18.06	11.34	22.55	0	7.28	0
			d_{1_}	0	0	0	31.51	0	-21.49	c_{4_}	0	0	0	2.47	0	2.78
			d_{2_}	1.29	6.25	-5.72	0	1.18	0	c_{5_}	3.84	7.13	7.28	0	5.78	0
			d_{3_}	0	0	0	-26.88	0	21.45	c_{6_}	0	0	0	2.78	0	4.35
42	Crystal Name: p-aminobenzoic acid Chemical Formula: C₇H₇NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	7232197
			e_{1_}	0.09	0	-0.03	0	0.02	0	c_{1_}	25.75	15.6	12.04	0	2.58	0
			e_{2_}	0	0	0	-0.01	0	0.03	c_{2_}	15.6	20.92	16.26	0	-4.39	0
			e_{3_}	0.09	-0.01	0.05	0	0.09	0	c_{3_}	12.04	16.26	20.43	0	1.15	0
			d_{1_}	6.64	-2.62	-3.45	0	-0.68	0	c_{4_}	0	0	0	7.92	0	-4.37
			d_{2_}	0	0	0	0.49	0	3.09	c_{5_}	2.58	-4.39	1.15	0	10.22	0
			d_{3_}	5.55	-8.08	5.38	0	2.99	0	c_{6_}	0	0	0	-4.37	0	9.79
43	Crystal Name: R-(+)-2-phenoxypropionic acid Chemical Formula: C₉H₁₀O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2103854
			e_{1_}	0	0	0	0.02	0	0.01	c_{1_}	19.86	11.14	10.88	0	1.37	0
			e_{2_}	0.03	-0.03	0.02	0	0.02	0	c_{2_}	11.14	12.19	8.95	0	0.95	0
			e_{3_}	0	0	0	0.03	0	0.04	c_{3_}	10.88	8.95	21.85	0	4.79	0
			d_{1_}	0	0	0	3.63	0	-0.92	c_{4_}	0	0	0	6.7	0	3.6
			d_{2_}	5.64	-7.73	-0.12	0	6.6	0	c_{5_}	1.37	0.95	4.79	0	3.65	0
			d_{3_}	0	0	0	0.53	0	6.98	c_{6_}	0	0	0	3.6	0	6.14
44	Crystal Name: NA Chemical Formula: C₁₈H₂₀N₄O₄ H-M Space Group: P1 HD View 3D View Crystal Details	1568221
			e_{1_}	0	0	-0.06	-0.02	0.01	0	c_{1_}	26.11	13.42	7.97	-1.49	-2.44	0.5
			e_{2_}	0.01	0	-0.06	-0.02	-0.03	0.03	c_{2_}	13.42	14.83	7.37	-0.07	0.47	0.93
			e_{3_}	-0.01	-0.01	-0.19	0.01	-0.07	0.01	c_{3_}	7.97	7.37	37.39	-2.04	3.89	-1.88
			d_{1_}	0.29	1.09	-3.03	-10.55	4.05	-1.99	c_{4_}	-1.49	-0.07	-2.04	2.44	-0.41	-0.65
			d_{2_}	-2.36	2.8	-1.1	-11.53	-10.47	0.57	c_{5_}	-2.44	0.47	3.89	-0.41	3.56	-0.99
			d_{3_}	-4.89	6.24	-3.53	-5.05	-21.51	-2.95	c_{6_}	0.5	0.93	-1.88	-0.65	-0.99	6.67
45	Crystal Name: Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₂ HD View 3D View Crystal Details	7112517
			e_{1_}	-0.08	0.08	0	0.08	-0.09	-0.02	c_{1_}	37.09	21.88	18.99	1.42	0.97	0
			e_{2_}	-0.02	0.02	0	-0.09	-0.08	0.08	c_{2_}	21.88	37.09	18.99	-1.42	-0.97	0
			e_{3_}	0.03	0.03	-0.82	0	0	0	c_{3_}	18.99	18.99	85.72	0	0	0
			d_{1_}	-5.62	5.62	0	6.04	-5.26	-1.29	c_{4_}	1.42	-1.42	0	15.61	0	-0.97
			d_{2_}	-0.64	0.64	0	-5.26	-6.04	11.24	c_{5_}	0.97	-0.97	0	0	15.61	1.42
			d_{3_}	4.14	4.14	-11.34	0	0	0	c_{6_}	0	0	0	-0.97	1.42	7.61
46	Crystal Name: L-Seryl-L-Alanine Chemical Formula: C₆H₁₂N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2010804
			e_{1_}	0	0	0	0.05	0	0.06	c_{1_}	31.97	14.7	14.34	0	-1.52	0
			e_{2_}	-0.01	0.11	0.01	0	0.05	0	c_{2_}	14.7	38.53	22.84	0	0.2	0
			e_{3_}	0	0	0	0.13	0	-0.02	c_{3_}	14.34	22.84	31.69	0	1.86	0
			d_{1_}	0	0	0	3.61	0	6.24	c_{4_}	0	0	0	14.85	0	-1.24
			d_{2_}	-0.03	5.35	-4.34	0	16.39	0	c_{5_}	-1.52	0.2	1.86	0	3.63	0
			d_{3_}	0	0	0	8.74	0	-0.92	c_{6_}	0	0	0	-1.24	0	9.68
47	Crystal Name: Pyridine II Chemical Formula: C₅H₅N H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	1556893
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	12.51	8.27	9.65	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	8.27	10.25	10.88	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	9.65	10.88	10.74	0	0	0
			d_{1_}	0	0	0	4.37	0	0	c_{4_}	0	0	0	5.65	0	0
			d_{2_}	0	0	0	0	-4.83	0	c_{5_}	0	0	0	0	2.46	0
			d_{3_}	0	0	0	0	0	-2.51	c_{6_}	0	0	0	0	0	5.24
48	Crystal Name: 4,4-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate Chemical Formula: C₁₆H₁₆N₂O₄,₃H₂O H-M Space Group: P1 HD View 3D View Crystal Details	1542542
			e_{1_}	-0.01	0.02	0.04	0.01	-0.02	0.01	c_{1_}	35.96	15.98	18.31	1.78	0.55	0.05
			e_{2_}	0.02	-0.01	0.13	0	-0.03	-0.02	c_{2_}	15.98	23.64	22.67	2.8	-0.49	-2.93
			e_{3_}	-0.03	0.01	-0.02	-0.02	-0.05	-0.03	c_{3_}	18.31	22.67	112.01	21.8	-3.8	-1.4
			d_{1_}	-1.06	1.79	0.27	-0.79	-3.48	3.34	c_{4_}	1.78	2.8	21.8	10.37	-1.2	0.6
			d_{2_}	1.16	-3.49	2.59	-5.28	-2.74	-3.78	c_{5_}	0.55	-0.49	-3.8	-1.2	7.04	1.37
			d_{3_}	-0.93	1.12	-0.09	-2.4	-7.41	-2.08	c_{6_}	0.05	-2.93	-1.4	0.6	1.37	6.37
49	Crystal Name: 5-methyl-5-phenylimidazolidine-2,4-dione Chemical Formula: C₁₀H₁₀N₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7230563
			e_{1_}	0	0	0	0.02	0	-0.06	c_{1_}	22.76	9.5	12.42	0	-6.58	0
			e_{2_}	-0.04	0.27	-0.01	0	0.02	0	c_{2_}	9.5	38.01	8.35	0	-2.06	0
			e_{3_}	0	0	0	-0.05	0	0.03	c_{3_}	12.42	8.35	18.76	0	-2.96	0
			d_{1_}	0	0	0	-0.39	0	-8.83	c_{4_}	0	0	0	4.4	0	-2.86
			d_{2_}	-5.13	8.62	-0.96	0	-0.52	0	c_{5_}	-6.58	-2.06	-2.96	0	6.58	0
			d_{3_}	0	0	0	-12.78	0	-0.81	c_{6_}	0	0	0	-2.86	0	6.62
50	Crystal Name: 1H-indazole Chemical Formula: C₇H₆N₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7052848
			e_{1_}	0	0	0	-0.02	0	0.02	c_{1_}	15.94	13.7	11.69	0	1.39	0
			e_{2_}	-0.02	-0.03	-0.04	0	0	0	c_{2_}	13.7	21.53	12	0	-0.7	0
			e_{3_}	0	0	0	-0.11	0	-0.03	c_{3_}	11.69	12	37.09	0	2.14	0
			d_{1_}	0	0	0	-1.99	0	2.9	c_{4_}	0	0	0	10.37	0	-1.37
			d_{2_}	0.86	-1.46	-1.08	0	1.27	0	c_{5_}	1.39	-0.7	2.14	0	3.38	0
			d_{3_}	0	0	0	-11.59	0	-8.81	c_{6_}	0	0	0	-1.37	0	5.63

Predicted Material Properties Repository and Database (CrystalDFT)

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