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}
301	Crystal Name: dimethyl 2-((1-(benzyloxy)-3-methylbutan-2-yl)(oxido)azanylidene)succinate Chemical Formula: C₁₈H₂₅NO₆ H-M Space Group: P1 HD View 3D View Crystal Details	1514212
			e_{1_}	-0.02	-0.01	-0.04	-0.01	0	0.02	c_{1_}	14.52	10.64	7.74	1.84	0.56	-0.38
			e_{2_}	0.01	0.01	0.01	0.01	-0.01	0.01	c_{2_}	10.64	16.56	9.73	-0.72	-3.71	-1.97
			e_{3_}	-0.02	-0.03	0.03	-0.01	0.01	0	c_{3_}	7.74	9.73	15.1	0.75	1.88	0.46
			d_{1_}	-14.68	26.06	-16.28	18.99	21.47	16.53	c_{4_}	1.84	-0.72	0.75	3.46	0.2	-1.13
			d_{2_}	-2.41	3.08	-0.44	7.76	-1.05	5.1	c_{5_}	0.56	-3.71	1.88	0.2	5.63	0.69
			d_{3_}	15.05	-30.65	18.65	-24.39	-22.94	-15.44	c_{6_}	-0.38	-1.97	0.46	-1.13	0.69	4.83
302	Crystal Name: Terrein Chemical Formula: C₈H₁₀O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2011630
			e_{1_}	0	0	0	-0.07	0	-0.07	c_{1_}	18.33	11.04	10.8	0	-0.05	0
			e_{2_}	-0.03	-0.1	-0.07	0	0.01	0	c_{2_}	11.04	18.65	12.26	0	0.59	0
			e_{3_}	0	0	0	0.01	0	-0.04	c_{3_}	10.8	12.26	18.02	0	0.62	0
			d_{1_}	0	0	0	-5.82	0	-14.6	c_{4_}	0	0	0	7.99	0	1.72
			d_{2_}	3.28	-6.46	-1.69	0	3.9	0	c_{5_}	-0.05	0.59	0.62	0	3.92	0
			d_{3_}	0	0	0	3.56	0	-9.59	c_{6_}	0	0	0	1.72	0	4.37
303	Crystal Name: 4-oxo-4-phenylbutanenitrile Chemical Formula: C₁₀H₉NO H-M Space Group: P2₁ HD View 3D View Crystal Details	1554367
			e_{1_}	0	0	0	-0.06	0	0.01	c_{1_}	14.32	12.08	8.2	0	0.02	0
			e_{2_}	-0.01	-0.01	0.01	0	-0.02	0	c_{2_}	12.08	19.25	12.14	0	-0.45	0
			e_{3_}	0	0	0	-0.02	0	0.01	c_{3_}	8.2	12.14	37.83	0	-3.76	0
			d_{1_}	0	0	0	-9.31	0	1.41	c_{4_}	0	0	0	5.94	0	-0.27
			d_{2_}	0.35	-0.99	-0.16	0	-7	0	c_{5_}	0.02	-0.45	-3.76	0	2.34	0
			d_{3_}	0	0	0	-4.02	0	1.19	c_{6_}	0	0	0	-0.27	0	4.48
304	Crystal Name: NA Chemical Formula: C₂₀H₂₆O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2000720
			e_{1_}	0	0	0	0.03	0	-0.13	c_{1_}	110.25	36.86	11.22	0	-19.11	0
			e_{2_}	-0.97	-0.26	0.1	0	-0.18	0	c_{2_}	36.86	9.64	4.02	0	-9.38	0
			e_{3_}	0	0	0	-0.07	0	-0.03	c_{3_}	11.22	4.02	18.08	0	0.05	0
			d_{1_}	0	0	0	3.85	0	-4.02	c_{4_}	0	0	0	1.93	0	-4.83
			d_{2_}	-85.57	144.47	27.13	0	-148.5	0	c_{5_}	-19.11	-9.38	0.05	0	3.13	0
			d_{3_}	-0.01	0.01	0	-63.8	-0.01	-11.55	c_{6_}	0	0	0	-4.83	0	28.89
305	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566507
			e_{1_}	0	0	0	0.07	0	0	c_{1_}	14.46	14.3	12.37	0	0	0
			e_{2_}	0	0	0	0	0.07	0	c_{2_}	14.3	14.46	12.37	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.37	12.37	70.12	0	0	0
			d_{1_}	0	0	0	9.05	0	0	c_{4_}	0	0	0	8.14	0	0
			d_{2_}	0	0	0	0	9.05	0	c_{5_}	0	0	0	0	8.14	0
			d_{3_}	0	0	0	0	0	-1.69	c_{6_}	0	0	0	0	0	18.7
306	Crystal Name: Pivaloyl-prolyl-glycyl-N-methyl amide Chemical Formula: C₁₃H₂₃N₃O₃ H-M Space Group: P1 HD View 3D View Crystal Details	7151304
			e_{1_}	-0.1	-0.01	-0.02	0.04	-0.04	0.01	c_{1_}	20.67	12.31	9.36	-1.99	-0.65	0.02
			e_{2_}	0.08	0.03	0.01	0.01	0	-0.01	c_{2_}	12.31	18.35	10.72	2.19	-0.75	-2.1
			e_{3_}	-0.04	0.01	-0.07	-0.01	0	0.01	c_{3_}	9.36	10.72	19.6	0.69	0.74	-2.24
			d_{1_}	-10.85	5.29	3.07	-6.83	-21.13	4.54	c_{4_}	-1.99	2.19	0.69	7.98	-2.97	-1.28
			d_{2_}	8.15	-2.99	-2.76	7.87	10.74	-2.97	c_{5_}	-0.65	-0.75	0.74	-2.97	3.13	0.38
			d_{3_}	-5.35	7.02	-3.96	-6.57	-5.9	1.91	c_{6_}	0.02	-2.1	-2.24	-1.28	0.38	5
307	Crystal Name: Cellulose Chemical Formula: C₁₂H₁₄O₁₀ H-M Space Group: P1 HD View 3D View Crystal Details	4114382
			e_{1_}	-0.39	0.02	0.17	-0.09	-0.01	-0.09	c_{1_}	149.4	13.56	10.17	-5.36	-2.67	-9.06
			e_{2_}	0.31	0	-0.11	0.04	0.02	0.03	c_{2_}	13.56	10.05	8.81	2.76	-2.49	1.64
			e_{3_}	-0.03	0.15	-0.02	-0.08	0.1	-0.02	c_{3_}	10.17	8.81	16.69	0.46	-1.83	4.42
			d_{1_}	25.9	88.25	-112.71	6.69	343.13	370.76	c_{4_}	-5.36	2.76	0.46	0.88	1.54	-1.83
			d_{2_}	-14.64	-57.83	69.27	4.82	-211.08	-225.55	c_{5_}	-2.67	-2.49	-1.83	1.54	2	-1.69
			d_{3_}	-15.32	-106.02	97.51	85.62	-301.79	-260.62	c_{6_}	-9.06	1.64	4.42	-1.83	-1.69	2.96
308	Crystal Name: b-D-Glucurono-1,4-lactone Chemical Formula: C₆H₈O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	3500098
			e_{1_}	0	0	0	0.01	0	-0.01	c_{1_}	26.7	16.17	14.45	0	-0.88	0
			e_{2_}	-0.03	-0.15	-0.18	0	-0.01	0	c_{2_}	16.17	28.79	17.9	0	-0.38	0
			e_{3_}	0	0	0	-0.19	0	0.02	c_{3_}	14.45	17.9	36.14	0	0.91	0
			d_{1_}	0	0	0	0.64	0	-0.65	c_{4_}	0	0	0	17.41	0	-2.36
			d_{2_}	4.34	-5.2	-4.05	0	-0.14	0	c_{5_}	-0.88	-0.38	0.91	0	10.68	0
			d_{3_}	0	0	0	-11.2	0	-0.62	c_{6_}	0	0	0	-2.36	0	10.06
309	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566520
			e_{1_}	0	0	0	0.07	0	0	c_{1_}	13.73	14.25	12.06	0	0	0
			e_{2_}	0	0	0	0	0.07	0	c_{2_}	14.25	13.73	12.06	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.06	12.06	69.79	0	0	0
			d_{1_}	0	0	0	9.31	0	0	c_{4_}	0	0	0	7.7	0	0
			d_{2_}	0	0	0	0	9.31	0	c_{5_}	0	0	0	0	7.7	0
			d_{3_}	0	0	0	0	0	-1.71	c_{6_}	0	0	0	0	0	18.28
310	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232400
			e_{1_}	0	0	0	-0.03	0	-0.01	c_{1_}	11.2	7.98	9.35	0	0.44	0
			e_{2_}	0.04	0.03	0	0	-0.02	0	c_{2_}	7.98	14.19	10.29	0	1	0
			e_{3_}	0	0	0	0.02	0	0.01	c_{3_}	9.35	10.29	14.65	0	-0.01	0
			d_{1_}	0	0	0	-4.42	0	-1.19	c_{4_}	0	0	0	5.51	0	1
			d_{2_}	6.12	3.51	-6.33	0	-4.59	0	c_{5_}	0.44	1	-0.01	0	4.7	0
			d_{3_}	0	0	0	2.73	0	0.83	c_{6_}	0	0	0	1	0	4.63
311	Crystal Name: epsilon glycine-d5 Chemical Formula: C₂D₅NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	7220561
			e_{1_}	-0.22	-0.02	0.05	0	0.32	0	c_{1_}	62.35	14.54	22.6	0	-12.31	0
			e_{2_}	0	0	0	0.01	0	-0.06	c_{2_}	14.54	30.2	16.22	0	-1.26	0
			e_{3_}	0.03	0.01	0.67	0	-0.29	0	c_{3_}	22.6	16.22	76.51	0	-20.44	0
			d_{1_}	-0.45	-4.22	9.13	0	27.72	0	c_{4_}	0	0	0	10.16	0	-0.39
			d_{2_}	0	0	0	1.11	0	-8.11	c_{5_}	-12.31	-1.26	-20.44	0	17.92	0
			d_{3_}	-3.79	-2.3	7.63	0	-10.29	0	c_{6_}	0	0	0	-0.39	0	7.34
312	Crystal Name: 3-(2-(pyridin-4-yl)vinyl)pyridine Chemical Formula: C₁₂H₁₀N₂A H-M Space Group: Pc HD View 3D View Crystal Details	7228079
			e_{1_}	0.03	0.02	0.01	0	-0.03	0	c_{1_}	21.89	13.28	13.7	0	-9.26	0
			e_{2_}	0	0	0	-0.03	0	0	c_{2_}	13.28	16.96	13.1	0	-0.11	0
			e_{3_}	-0.02	-0.01	-0.03	0	0.02	0	c_{3_}	13.7	13.1	13.89	0	-2.05	0
			d_{1_}	-11.04	7.53	2.51	0	-15.36	0	c_{4_}	0	0	0	4.99	0	2.53
			d_{2_}	0	0	0	-17.09	0	22.25	c_{5_}	-9.26	-0.11	-2.05	0	8.03	0
			d_{3_}	19.16	-5.75	-12.8	0	20.67	0	c_{6_}	0	0	0	2.53	0	1.85
313	Crystal Name: NA Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	2311086
			e_{1_}	0	0	0	0.07	0	0	c_{1_}	13.84	12.94	12	0	0	0
			e_{2_}	0	0	0	0	0.07	0	c_{2_}	12.94	13.84	12	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12	12	65.44	0	0	0
			d_{1_}	0	0	0	8.05	0	0	c_{4_}	0	0	0	8.15	0	0
			d_{2_}	0	0	0	0	8.05	0	c_{5_}	0	0	0	0	8.15	0
			d_{3_}	0	0	0	0	0	-1.99	c_{6_}	0	0	0	0	0	17.57
314	Crystal Name: Succinamic acid Chemical Formula: C₄H₇NO₃ H-M Space Group: Pc HD View 3D View Crystal Details	4511617
			e_{1_}	0.14	0.08	-0.01	0	0.01	0	c_{1_}	40.37	34.73	9.51	0	0.05	0
			e_{2_}	0	0	0	0	0	0.02	c_{2_}	34.73	33.55	10.45	0	0.78	0
			e_{3_}	-0.06	-0.02	-0.26	0	-0.02	0	c_{3_}	9.51	10.45	34.1	0	1.99	0
			d_{1_}	15.58	-13.69	-1.05	0	10.6	0	c_{4_}	0	0	0	2.81	0	0.84
			d_{2_}	0	0	0	0.3	0	0.89	c_{5_}	0.05	0.78	1.99	0	2.05	0
			d_{3_}	-11.41	13.86	-8.03	0	-9.18	0	c_{6_}	0	0	0	0.84	0	24.25
315	Crystal Name: nitrobenzaldehyde hydrazone Chemical Formula: C₇H₇N₃O₂ H-M Space Group: Pc HD View 3D View Crystal Details	2013804
			e_{1_}	-0.01	-0.1	-0.12	0	0.03	0	c_{1_}	11.33	12.56	10.1	0	-0.44	0
			e_{2_}	0	0	0	0.1	0	-0.06	c_{2_}	12.56	27.51	21.7	0	-2.04	0
			e_{3_}	0.04	0.25	0.15	0	-0.09	0	c_{3_}	10.1	21.7	26.67	0	-5.55	0
			d_{1_}	6.99	-3.83	-3.74	0	1.59	0	c_{4_}	0	0	0	8.06	0	-1.12
			d_{2_}	0.01	-0.03	0.02	7.55	0.02	-30.97	c_{5_}	-0.44	-2.04	-5.55	0	3.26	0
			d_{3_}	-7.43	30.32	-27.89	0	-56.52	0	c_{6_}	0	0	0	-1.12	0	1.8
316	Crystal Name: L-Asparaginium Nitrate Chemical Formula: C₄H₉N₃O₆ H-M Space Group: P1 HD View 3D View Crystal Details	2206130
			e_{1_}	0.03	-0.04	-0.08	0.01	-0.04	0.04	c_{1_}	24.65	14.83	19.11	0.55	0.54	0.92
			e_{2_}	0.09	-0.03	0.03	-0.05	0.06	0	c_{2_}	14.83	29.7	20.64	-8.72	3.56	-1.48
			e_{3_}	0.04	-0.12	-0.1	-0.01	-0.09	-0.03	c_{3_}	19.11	20.64	29.12	-5.51	2.73	-1.48
			d_{1_}	7.29	-0.14	-7.79	-4.81	-3.74	4.68	c_{4_}	0.55	-8.72	-5.51	9.63	-1.37	0.99
			d_{2_}	14.7	-11.33	-4.88	-17.2	9.31	-6.7	c_{5_}	0.54	3.56	2.73	-1.37	10.23	1.59
			d_{3_}	15.99	-9.94	-9.84	-15.93	-4.32	-8.92	c_{6_}	0.92	-1.48	-1.48	0.99	1.59	5.92
317	Crystal Name: deuterated hydrazinium hydrogen oxalate Chemical Formula: C₂D₆N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2107198
			e_{1_}	0	0	0	0.03	0	0.13	c_{1_}	32.21	6.24	11.43	0	2.72	0
			e_{2_}	-0.01	-0.14	-0.13	0	-0.01	0	c_{2_}	6.24	65.35	10.92	0	-2.48	0
			e_{3_}	0	0	0	0.08	0	0.06	c_{3_}	11.43	10.92	48.68	0	9.57	0
			d_{1_}	0	0	0	2.37	0	22.14	c_{4_}	0	0	0	10.73	0	-0
			d_{2_}	0.81	-1.72	-2.81	0	1.37	0	c_{5_}	2.72	-2.48	9.57	0	10.66	0
			d_{3_}	0	0	0	7.82	0	10.28	c_{6_}	0	0	0	-0	0	5.73
318	Crystal Name: (2R,3R)-(+)-2,3-dihydroxy-N,N-dimethylbutanediamide (2S)-(-)-2-hydroxy-N,N-dimethylbutanediamide Chemical Formula: C₁₂H₂₄N₄O₇ H-M Space Group: P1 HD View 3D View Crystal Details	7230994
			e_{1_}	0	0.06	-0.01	0	0.09	0.02	c_{1_}	43.08	11.41	11.13	0.43	-1.05	0.66
			e_{2_}	0.06	0	-0.05	0.06	0.07	-0.04	c_{2_}	11.41	24.73	11.78	-2.1	1.38	-0.92
			e_{3_}	-0.05	0.01	0.11	-0.05	-0.05	0.01	c_{3_}	11.13	11.78	23.63	-4.93	0.9	-0
			d_{1_}	0	3.07	-2.42	1.15	14.63	2.66	c_{4_}	0.43	-2.1	-4.93	8.98	-1.25	0.71
			d_{2_}	2.5	-0.42	-2.08	7.72	14.17	-7.66	c_{5_}	-1.05	1.38	0.9	-1.25	5.82	0.26
			d_{3_}	-2.6	-0.86	5.59	-4.61	-11.05	2.32	c_{6_}	0.66	-0.92	-0	0.71	0.26	6.15
319	Crystal Name: (S,S)-2-Amino-3-methylpentanoic acid (R,S)-2-amino-3-methylpentanoic acid Chemical Formula: C₆H₁₃NO₂ H-M Space Group: P1 HD View 3D View Crystal Details	2102120
			e_{1_}	0	0	0.01	-0.01	0	0	c_{1_}	31.02	14.33	3.98	-0.47	-0.14	-1.44
			e_{2_}	-0.01	0	0.02	-0.01	0	0	c_{2_}	14.33	49.5	6.4	-2.08	-0.59	-8.05
			e_{3_}	0	0	-0.01	-0.01	0	0	c_{3_}	3.98	6.4	24.22	-1.89	1.85	0.25
			d_{1_}	0.16	-0.33	0.05	-2.3	0.75	-0.85	c_{4_}	-0.47	-2.08	-1.89	4.67	-0.06	0.11
			d_{2_}	-0.2	-0.2	0.49	-2.65	0.45	-0.64	c_{5_}	-0.14	-0.59	1.85	-0.06	4.7	-0.16
			d_{3_}	-0.05	-0.05	-0.43	-1.71	-0.34	-0.51	c_{6_}	-1.44	-8.05	0.25	0.11	-0.16	7.5
320	Crystal Name: 2-aminoethene-1,1,2-tricarbonitrile Chemical Formula: C₅H₂N₄ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	2015077
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	35.59	17.38	11.54	0	0	0
			e_{2_}	0	0	0	0.12	0	0	c_{2_}	17.38	32.62	15.02	0	0	0
			e_{3_}	0.14	0.16	0.03	0	0	0	c_{3_}	11.54	15.02	15.47	0	0	0
			d_{1_}	0	0	0	0	5.36	0	c_{4_}	0	0	0	11.2	0	0
			d_{2_}	0	0	0	10.71	0	0	c_{5_}	0	0	0	0	3.4	0
			d_{3_}	2.8	6.26	-5.94	0	0	0	c_{6_}	0	0	0	0	0	6.46
321	Crystal Name: Boc-?-Ala-mABA-OMe Chemical Formula: C₁₆H₂₂N₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	7150172
			e_{1_}	0.24	-0.01	0.01	-0.03	-0.04	0.01	c_{1_}	29.7	6.31	10.52	0.19	-2.39	1.49
			e_{2_}	-0.09	0.01	0.04	-0.06	-0.03	0.05	c_{2_}	6.31	17.36	10.01	-3.67	0.93	-0.27
			e_{3_}	-0.01	-0.04	-0.1	0.03	0.07	-0.03	c_{3_}	10.52	10.01	18.47	-4.87	-2.3	-0.66
			d_{1_}	12.22	-1.97	-10.73	-16.7	-5.18	-6.35	c_{4_}	0.19	-3.67	-4.87	5.55	-0.08	0.53
			d_{2_}	-7.5	-0.45	4.34	-11.73	-6.53	50.98	c_{5_}	-2.39	0.93	-2.3	-0.08	5.99	0.1
			d_{3_}	4.7	-1.3	-6.39	1.61	11.56	-31.91	c_{6_}	1.49	-0.27	-0.66	0.53	0.1	1.34
322	Crystal Name: Methyl 5-methylpyrazine-2-carboxylate Chemical Formula: C₇H₈N₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	1546672
			e_{1_}	0	0	0	-0.01	0	0.06	c_{1_}	18.89	10.77	8.69	0	0.29	0
			e_{2_}	0.05	0.13	0.03	0	0.01	0	c_{2_}	10.77	25.24	14.39	0	-0.5	0
			e_{3_}	0	0	0	0.07	0	-0.02	c_{3_}	8.69	14.39	21.72	0	2.63	0
			d_{1_}	0	0	0	1.7	0	11.15	c_{4_}	0	0	0	5.44	0	-1.5
			d_{2_}	-0.02	7.9	-4.53	0	6.21	0	c_{5_}	0.29	-0.5	2.63	0	3.84	0
			d_{3_}	0	0	0	13.77	0	0.33	c_{6_}	0	0	0	-1.5	0	5.51
323	Crystal Name: Ethylene Glycol Chemical Formula: C₂H₆O₂ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	2007371
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	16.3	8.86	12.12	0	0	0
			e_{2_}	0	0	0	0	-0.03	0	c_{2_}	8.86	23.7	7.99	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	12.12	7.99	23.91	0	0	0
			d_{1_}	0	0	0	-1.22	0	0	c_{4_}	0	0	0	4.22	0	0
			d_{2_}	0	0	0	0	-3.01	0	c_{5_}	0	0	0	0	9.21	0
			d_{3_}	0	0	0	0	0	-1.45	c_{6_}	0	0	0	0	0	9
324	Crystal Name: α-Amino Nitriles Chemical Formula: C₁₇H₁₆N₂O H-M Space Group: P1 HD View 3D View Crystal Details	1507084
			e_{1_}	-0.05	-0.01	0.04	0	0	-0.01	c_{1_}	17.32	7.9	7.28	-0.71	0.7	-2.3
			e_{2_}	-0.02	-0.01	0.01	0	0.02	-0.01	c_{2_}	7.9	19.4	9.14	-0.07	0.3	0.25
			e_{3_}	0.05	0.01	0	0.01	0.04	0	c_{3_}	7.28	9.14	14	1.43	1.18	1.51
			d_{1_}	-7.91	-1.88	10.55	-3.42	-8.03	-11.37	c_{4_}	-0.71	-0.07	1.43	4.87	0.83	-0.35
			d_{2_}	-2.29	-1.11	2.63	-3.09	6.8	-0.77	c_{5_}	0.7	0.3	1.18	0.83	2.91	-1.87
			d_{3_}	5.97	1.01	-6.87	1.66	21.78	11.79	c_{6_}	-2.3	0.25	1.51	-0.35	-1.87	5.27
325	Crystal Name: L-histidine Chemical Formula: C₆H₉N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2108878
			e_{1_}	0	0	0	0.03	0	-0.12	c_{1_}	35.44	11.99	9.98	0	-0.08	0
			e_{2_}	0.07	0.07	-0.07	0	-0.04	0	c_{2_}	11.99	19.38	7.43	0	1.71	0
			e_{3_}	0	0	0	0.01	0	-0.01	c_{3_}	9.98	7.43	94.38	0	-12.71	0
			d_{1_}	0	0	0	6.43	0	-14.27	c_{4_}	0	0	0	4.98	0	0.14
			d_{2_}	0.57	8.19	-5.56	0	-30.62	0	c_{5_}	-0.08	1.71	-12.71	0	4.22	0
			d_{3_}	0	0	0	2.83	0	-1.5	c_{6_}	0	0	0	0.14	0	8.8

Predicted Material Properties Repository and Database (CrystalDFT)

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