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}
201	Crystal Name: 3methyl-DAG Chemical Formula: C₁₃H₂₂O₆ H-M Space Group: P1 HD View 3D View Crystal Details	2238660
			e_{1_}	-0.15	0.05	-0.01	-0.01	-0.02	0.03	c_{1_}	-2.27	6.04	13.98	-5.24	-1.28	-0.11
			e_{2_}	0.02	-0.04	-0.01	-0.03	0.02	0.01	c_{2_}	6.04	7.39	3.98	2.24	0.39	-1.8
			e_{3_}	0.05	-0.01	0.07	0.03	-0.07	0.03	c_{3_}	13.98	3.98	27.61	-4.86	-8.45	1.77
			d_{1_}	5.38	16.28	-16.98	8.15	-38.07	22.75	c_{4_}	-5.24	2.24	-4.86	-0.42	2.84	0.55
			d_{2_}	-3.13	-15.95	12.26	7.6	21.77	-11.2	c_{5_}	-1.28	0.39	-8.45	2.84	4.35	-0.89
			d_{3_}	-5.08	14.33	-7.42	-4.78	-26.88	21.04	c_{6_}	-0.11	-1.8	1.77	0.55	-0.89	2.29
202	Crystal Name: b-2-nitro-trans-cinnamic acid Chemical Formula: C₉H₇NO₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2208882
			e_{1_}	0	0	0	0.03	0	-0.06	c_{1_}	23.92	11.32	10.12	0	-1.13	0
			e_{2_}	-0.03	-0.07	-0.03	0	-0.02	0	c_{2_}	11.32	36.39	17.34	0	-2.98	0
			e_{3_}	0	0	0	-0.11	0	0.02	c_{3_}	10.12	17.34	40.47	0	-5.04	0
			d_{1_}	0	0	0	0.4	0	-12.57	c_{4_}	0	0	0	7.46	0	-1.91
			d_{2_}	-0.47	-2.3	-0.51	0	-7.72	0	c_{5_}	-1.13	-2.98	-5.04	0	3.44	0
			d_{3_}	0	0	0	-14.84	0	-2.79	c_{6_}	0	0	0	-1.91	0	4.58
203	Crystal Name: cis-6-Hydroxy-4-methylcyclohex-1-enecarbaldehyde Chemical Formula: C₈H₁₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	1516752
			e_{1_}	0	0	0	-0.01	0	0.05	c_{1_}	25.83	8.83	10.62	0	8.04	0
			e_{2_}	0.06	-0.1	-0.01	0	0.03	0	c_{2_}	8.83	26.62	9.55	0	1.22	0
			e_{3_}	0	0	0	0.02	0	0.05	c_{3_}	10.62	9.55	13.76	0	0.35	0
			d_{1_}	0	0	0	-19.87	0	18.93	c_{4_}	0	0	0	3.24	0	2.88
			d_{2_}	3.48	-5.05	-0.1	0	1.79	0	c_{5_}	8.04	1.22	0.35	0	6.62	0
			d_{3_}	0	0	0	-5.29	0	11.31	c_{6_}	0	0	0	2.88	0	5.74
204	Crystal Name: (S)-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid Chemical Formula: C₇H₁₀O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	2215314
			e_{1_}	0	0	0	0.01	0	0.01	c_{1_}	20.32	8.12	9.43	0	1.92	0
			e_{2_}	0.02	-0.04	-0.05	0	-0.01	0	c_{2_}	8.12	19.6	11.57	0	-2.66	0
			e_{3_}	0	0	0	-0.02	0	-0.05	c_{3_}	9.43	11.57	18.55	0	0.08	0
			d_{1_}	0	0	0	1.34	0	1.41	c_{4_}	0	0	0	9.91	0	-3.21
			d_{2_}	3.69	-2.19	-3.26	0	-3.42	0	c_{5_}	1.92	-2.66	0.08	0	5.23	0
			d_{3_}	0	0	0	-4.64	0	-9.52	c_{6_}	0	0	0	-3.21	0	7.08
205	Crystal Name: 4-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid Chemical Formula: C₁₀H₉N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4511329
			e_{1_}	0	0	0	0	0	-0.01	c_{1_}	14.79	13.44	12.08	0	-0.43	0
			e_{2_}	-0.01	0.02	0.02	0	-0.03	0	c_{2_}	13.44	27.86	16.72	0	-0.65	0
			e_{3_}	0	0	0	0.04	0	0.04	c_{3_}	12.08	16.72	17.96	0	0.31	0
			d_{1_}	0	0	0	0.52	0	-1.23	c_{4_}	0	0	0	10.22	0	2.34
			d_{2_}	-4.56	-0.02	4.33	0	-10.21	0	c_{5_}	-0.43	-0.65	0.31	0	3.57	0
			d_{3_}	0	0	0	2.62	0	5.93	c_{6_}	0	0	0	2.34	0	6.55
206	Crystal Name: L-arginine-semimalonate Chemical Formula: C₉H₁₈N₄O₆ H-M Space Group: P1 HD View 3D View Crystal Details	2103481
			e_{1_}	0.23	0.03	0.08	0.02	-0.03	0.03	c_{1_}	40.18	16.09	21.45	-1	-2.1	-5.41
			e_{2_}	-0.01	0	-0.05	-0.09	-0.02	0.06	c_{2_}	16.09	19.67	17.51	-2.22	-1.56	-4.9
			e_{3_}	0.03	-0.01	-0.07	0.06	0.06	-0.05	c_{3_}	21.45	17.51	39.28	0.08	-0.65	-4.76
			d_{1_}	7.69	-3	-0.21	2.89	0.45	4.83	c_{4_}	-1	-2.22	0.08	7.79	-3.13	0.88
			d_{2_}	0.24	-0.71	-0.73	-15.4	-7.61	4.66	c_{5_}	-2.1	-1.56	-0.65	-3.13	8.21	-2.45
			d_{3_}	2.71	3.72	-4.9	15.15	13.92	-2.15	c_{6_}	-5.41	-4.9	-4.76	0.88	-2.45	11.38
207	Crystal Name: 5-ammoniomethyl-1H-tetrazolide Chemical Formula: C₂H₅N₅ H-M Space Group: P3₁ HD View 3D View Crystal Details	2017503
			e_{1_}	0.09	-0.09	0	-0.06	-0.01	0.06	c_{1_}	32.92	18.41	16.13	1.09	0.43	0
			e_{2_}	0.06	-0.06	0	-0.01	0.06	-0.09	c_{2_}	18.41	32.92	16.13	-1.09	-0.43	0
			e_{3_}	0.03	0.03	-0.71	0	0	0	c_{3_}	16.13	16.13	93.07	0	0	0
			d_{1_}	6.82	-6.82	0	-9.86	-3.27	7.67	c_{4_}	1.09	-1.09	0	7.08	0	-0.43
			d_{2_}	3.83	-3.82	0	-3.27	9.87	-13.65	c_{5_}	0.43	-0.43	0	0	7.08	1.09
			d_{3_}	3.24	3.24	-8.72	0	0	0	c_{6_}	0	0	0	-0.43	1.09	7.26
208	Crystal Name: n-butanol Chemical Formula: C₄H₁₀O H-M Space Group: P1 HD View 3D View Crystal Details	2105446
			e_{1_}	0.13	0.05	0.04	-0.06	-0.01	0	c_{1_}	26.57	6.39	4.28	-4.04	0.15	0.51
			e_{2_}	0.01	0.02	0.04	-0.01	-0.02	0.01	c_{2_}	6.39	13.06	9.09	-2.69	-0.74	0.59
			e_{3_}	0	0.01	0.02	0	0.02	-0.03	c_{3_}	4.28	9.09	9.4	-1.48	-0.11	-0.57
			d_{1_}	3.71	-3.72	7.64	-3.06	21.41	21.76	c_{4_}	-4.04	-2.69	-1.48	8.41	0.08	-0.88
			d_{2_}	-0.04	-7.17	11.78	-0.7	6.09	11.01	c_{5_}	0.15	-0.74	-0.11	0.08	3.73	-4.03
			d_{3_}	-0.6	-5.08	9.78	1.88	30.42	24.75	c_{6_}	0.51	0.59	-0.57	-0.88	-4.03	4.07
209	Crystal Name: 1-amino-5H-tetrazole Chemical Formula: CH₃N₅ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7237170
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	19.61	12.67	6.87	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	12.67	23.54	8.59	0	0	0
			e_{3_}	0	0	0	0	0	0.07	c_{3_}	6.87	8.59	18.63	0	0	0
			d_{1_}	0	0	0	-1.98	0	0	c_{4_}	0	0	0	8.5	0	0
			d_{2_}	0	0	0	0	15.91	0	c_{5_}	0	0	0	0	4.86	0
			d_{3_}	0	0	0	0	0	5.96	c_{6_}	0	0	0	0	0	11.8
210	Crystal Name: 2-[(4-nitrophenyl)methylidene]-1-benzofuran-3(2H)-one Chemical Formula: C₁₅H₉NO₄ H-M Space Group: P1 HD View 3D View Crystal Details	7131057
			e_{1_}	-0.06	-0.03	-0.08	-0.02	-0.05	-0.01	c_{1_}	23.33	12.85	14.75	2.82	4.53	1.01
			e_{2_}	-0.05	0.04	-0.07	-0.02	-0.04	-0.02	c_{2_}	12.85	29.13	21.79	2.64	6.27	2.4
			e_{3_}	-0.05	-0.11	-0.08	-0.04	-0.05	-0.05	c_{3_}	14.75	21.79	30.1	7.15	8.33	4.09
			d_{1_}	-1.48	2.57	-2.97	2.59	-4.78	-1.08	c_{4_}	2.82	2.64	7.15	8.23	3.36	3.96
			d_{2_}	-0.91	7.24	-6.55	0.05	-6.47	8	c_{5_}	4.53	6.27	8.33	3.36	7.66	2.65
			d_{3_}	0.93	-5.23	2.9	-11.21	-7.59	17.57	c_{6_}	1.01	2.4	4.09	3.96	2.65	0.91
211	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200099
			e_{1_}	0	0	0	-0.08	0	0.12	c_{1_}	30.5	11.36	10.16	0	-2.97	0
			e_{2_}	0.02	0.21	-0.01	0	0.02	0	c_{2_}	11.36	19.52	8.52	0	-1.32	0
			e_{3_}	0	0	0	0.04	0	-0.08	c_{3_}	10.16	8.52	18.76	0	-0.03	0
			d_{1_}	0	0	0	-7.53	0	15.61	c_{4_}	0	0	0	8.09	0	-0.93
			d_{2_}	-1.96	15.33	-6.49	0	10.04	0	c_{5_}	-2.97	-1.32	-0.03	0	3.68	0
			d_{3_}	0	0	0	4.16	0	-11.06	c_{6_}	0	0	0	-0.93	0	7.31
212	Crystal Name: 2-((Dimethylamino)methyl)aniline Chemical Formula: C₉H₁₄N₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4326344
			e_{1_}	0	0	0	0.01	0	-0.01	c_{1_}	17.46	8.58	9.1	0	0.11	0
			e_{2_}	-0.01	0.02	-0.03	0	0.02	0	c_{2_}	8.58	13.61	9.52	0	0.14	0
			e_{3_}	0	0	0	-0.03	0	0	c_{3_}	9.1	9.52	12.46	0	0.77	0
			d_{1_}	0	0	0	1.01	0	-1.32	c_{4_}	0	0	0	6.29	0	0.36
			d_{2_}	0.74	7.52	-9.19	0	3.94	0	c_{5_}	0.11	0.14	0.77	0	5.68	0
			d_{3_}	0	0	0	-4.64	0	-0.31	c_{6_}	0	0	0	0.36	0	4.95
213	Crystal Name: Methanol Chemical Formula: CH₄O H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	4503066
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	21.62	6.21	8.45	0	0	0
			e_{2_}	0	0	0	0	0.32	0	c_{2_}	6.21	16.33	7.05	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	8.45	7.05	11.4	0	0	0
			d_{1_}	0	0	0	2.63	0	0	c_{4_}	0	0	0	6.63	0	0
			d_{2_}	0	0	0	0	49.17	0	c_{5_}	0	0	0	0	6.57	0
			d_{3_}	0	0	0	0	0	1.7	c_{6_}	0	0	0	0	0	5.07
214	Crystal Name: 4-(1-Hydroxypent-4-en-2-yl)-1,3-oxazolidin-2-one Chemical Formula: C₈H₁₃NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7151726
			e_{1_}	0	0	0	0	0	-0.15	c_{1_}	22.57	12.01	10.76	0	-1.89	0
			e_{2_}	0	-0.12	-0.03	0	0.02	0	c_{2_}	12.01	15.57	11.03	0	-2.16	0
			e_{3_}	0	0	0	-0.03	0	0.03	c_{3_}	10.76	11.03	16.05	0	0.2	0
			d_{1_}	0	0	0	-4.34	0	-17.35	c_{4_}	0	0	0	4.4	0	-1.26
			d_{2_}	5.94	-16.44	5.55	0	-3.12	0	c_{5_}	-1.89	-2.16	0.2	0	3.04	0
			d_{3_}	0	0	0	-6.65	0	2.47	c_{6_}	0	0	0	-1.26	0	8.84
215	Crystal Name: D-(2-Isocyanopropionyl)-L-alanine prop-2-ynol ester Chemical Formula: C₁₀H₁₂N₂O₃ H-M Space Group: P1 HD View 3D View Crystal Details	7202788
			e_{1_}	-0.21	-0.04	-0.01	0.02	-0.02	-0.01	c_{1_}	32.36	12.46	6.16	-0.34	-1.93	6.03
			e_{2_}	0.08	0.08	0.1	0	0.05	-0.1	c_{2_}	12.46	18.17	7.37	0.02	0.99	5.18
			e_{3_}	-0.02	0.03	0.1	-0.01	0	-0.01	c_{3_}	6.16	7.37	20.32	-2.84	1.17	1.25
			d_{1_}	-8.94	3.19	1.86	2.59	-11.02	1.88	c_{4_}	-0.34	0.02	-2.84	5.4	-0.49	0.54
			d_{2_}	4.02	4.68	2.8	4.61	12.98	-16.62	c_{5_}	-1.93	0.99	1.17	-0.49	3.6	-0.23
			d_{3_}	-2.05	1.49	5.16	0.05	-2.42	-1.29	c_{6_}	6.03	5.18	1.25	0.54	-0.23	8.84
216	Crystal Name: β-D-galactose Chemical Formula: C₅H₁₂O₄ H-M Space Group: I–4 HD View 3D View Crystal Details	1557299
			e_{1_}	0	0	0	0	0	0	c_{1_}	63.43	42.02	6.32	0	0	2.15
			e_{2_}	0	0	0	0	0	0	c_{2_}	42.02	63.43	6.32	0	0	-2.15
			e_{3_}	-0.06	0.06	0	0	0	0.08	c_{3_}	6.32	6.32	20.94	0	0	0
			d_{1_}	0	0	0	-0.76	0.43	0	c_{4_}	0	0	0	4.42	0	0
			d_{2_}	0	0	0	-0.43	-0.76	0	c_{5_}	0	0	0	0	4.42	0
			d_{3_}	-3.53	3.53	0	0	0	6.09	c_{6_}	2.15	-2.15	0	0	0	16.42
217	Crystal Name: Coumarin Chemical Formula: C₉H₆O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4003856
			e_{1_}	0	0	0	0.07	0	0.09	c_{1_}	12.62	6.18	6.98	0	7.2	0
			e_{2_}	0.08	-0.01	0.28	0	0.15	0	c_{2_}	6.18	22.21	13.4	0	4.2	0
			e_{3_}	0	0	0	0.06	0	0.1	c_{3_}	6.98	13.4	22.21	0	5.15	0
			d_{1_}	0	0	0	4.14	0	114.26	c_{4_}	0	0	0	4.24	0	0.44
			d_{2_}	13.46	-13.02	21.73	0	-22.96	0	c_{5_}	7.2	4.2	5.15	0	-0.04	0
			d_{3_}	0	0	0	0.76	0	131.04	c_{6_}	0	0	0	0.44	0	0.74
218	Crystal Name: NA Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	2022025
			e_{1_}	0	0	0	0.09	0	0	c_{1_}	14.5	14.55	12.43	0	0	0
			e_{2_}	0	0	0	0	0.09	0	c_{2_}	14.55	14.5	12.43	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.43	12.43	71.41	0	0	0
			d_{1_}	0	0	0	10.79	0	0	c_{4_}	0	0	0	8.11	0	0
			d_{2_}	0	0	0	0	10.79	0	c_{5_}	0	0	0	0	8.11	0
			d_{3_}	0	0	0	0	0	-1.58	c_{6_}	0	0	0	0	0	19.02
219	Crystal Name: Ammonium oxalate monohydrate Chemical Formula: C₂H₁₀N₂O₅ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	2310958
			e_{1_}	0	0	0	-0.05	0	0	c_{1_}	64.37	26.77	20.18	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	26.77	67.52	26.79	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	20.18	26.79	37.65	0	0	0
			d_{1_}	0	0	0	-3.8	0	0	c_{4_}	0	0	0	13.01	0	0
			d_{2_}	0	0	0	0	-0.01	0	c_{5_}	0	0	0	0	11.62	0
			d_{3_}	0	0	0	0	0	-2.47	c_{6_}	0	0	0	0	0	17.27
220	Crystal Name: 2-Amino-6-benzyloxy-4-(N-phenylamino)-5-nitrosopyrimidine Chemical Formula: C₁₇H₁₅N₅O₂ H-M Space Group: P1 HD View 3D View Crystal Details	2103872
			e_{1_}	0.04	0.09	0.01	0	-0.01	-0.09	c_{1_}	19.28	16.14	12.97	-1.91	4.48	-5.55
			e_{2_}	-0.08	-0.13	0.02	0	-0.01	0.13	c_{2_}	16.14	24.99	11.04	2.65	0.1	-8.85
			e_{3_}	-0.01	-0.02	-0.04	-0.01	0.01	0	c_{3_}	12.97	11.04	22.89	2.24	4.56	1.44
			d_{1_}	2.09	-3.59	2.4	5.04	-5.76	-11.6	c_{4_}	-1.91	2.65	2.24	4.1	-0.46	1.14
			d_{2_}	-6.3	2.08	3.32	-8.71	2.5	10.84	c_{5_}	4.48	0.1	4.56	-0.46	8.97	-2.16
			d_{3_}	0.36	2.09	-3.77	-1.2	4.05	3.53	c_{6_}	-5.55	-8.85	1.44	1.14	-2.16	11.08
221	Crystal Name: L-histidine Chemical Formula: C₆H₉N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	5000417
			e_{1_}	0	0	0	0.02	0	-0.12	c_{1_}	35.23	12.44	8.93	0	0.13	0
			e_{2_}	0.05	0.05	-0.03	0	-0.04	0	c_{2_}	12.44	21.53	8.07	0	1.81	0
			e_{3_}	0	0	0	0.01	0	-0.01	c_{3_}	8.93	8.07	93.28	0	-11.01	0
			d_{1_}	0	0	0	4.55	0	-14.94	c_{4_}	0	0	0	4.68	0	0
			d_{2_}	0.37	5.1	-3.17	0	-20.29	0	c_{5_}	0.13	1.81	-11.01	0	4.21	0
			d_{3_}	0	0	0	1.56	0	-0.89	c_{6_}	0	0	0	0	0	8.17
222	Crystal Name: Hydroxyimidazole Chemical Formula: C₃H₄N₂O H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	1508496
			e_{1_}	0	0	0	0	0	0	c_{1_}	11.39	8.53	11.69	0	0	0
			e_{2_}	0	0	0	0	0.04	0	c_{2_}	8.53	12.17	10.22	0	0	0
			e_{3_}	0	0	0	0	0	0.11	c_{3_}	11.69	10.22	19.85	0	0	0
			d_{1_}	0	0	0	-0.63	0	0	c_{4_}	0	0	0	3.63	0	0
			d_{2_}	0	0	0	0	7.44	0	c_{5_}	0	0	0	0	5.81	0
			d_{3_}	0	0	0	0	0	15.83	c_{6_}	0	0	0	0	0	7.04
223	Crystal Name: (S)-2-(1,3-Dioxoisoindolin-2-yl)propanoic acid Chemical Formula: C₁₁H₉NO₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2211235
			e_{1_}	0	0	0	0.01	0	-0.01	c_{1_}	14.06	12.24	11.91	0	0.18	0
			e_{2_}	-0.02	-0.01	0.02	0	-0.02	0	c_{2_}	12.24	16.64	12.78	0	-0.53	0
			e_{3_}	0	0	0	0.03	0	-0.02	c_{3_}	11.91	12.78	18.76	0	3.83	0
			d_{1_}	0	0	0	1.82	0	-1.44	c_{4_}	0	0	0	5.59	0	2.43
			d_{2_}	-5.75	-7.69	13.65	0	-17.33	0	c_{5_}	0.18	-0.53	3.83	0	4.39	0
			d_{3_}	0	0	0	5.93	0	-2.75	c_{6_}	0	0	0	2.43	0	11.7
224	Crystal Name: Oxammite Chemical Formula: C₂H₂N₂O₅ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	9011127
			e_{1_}	0	0	0	0.03	0	0	c_{1_}	5.06	2.89	0.04	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	2.89	4.46	-1.57	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	0.04	-1.57	8.07	0	0	0
			d_{1_}	0	0	0	-18.32	0	0	c_{4_}	0	0	0	-1.42	0	0
			d_{2_}	0	0	0	0	-7.76	0	c_{5_}	0	0	0	0	-0.85	0
			d_{3_}	0	0	0	0	0	-0.75	c_{6_}	0	0	0	0	0	-6.26
225	Crystal Name: iminodiacetonitrile Chemical Formula: C₄H₅N₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2015716
			e_{1_}	0	0	0	0.02	0	0.06	c_{1_}	20.58	5.96	9.06	0	1.91	0
			e_{2_}	0.12	0.12	-0.03	0	0.07	0	c_{2_}	5.96	18.75	9.39	0	-1	0
			e_{3_}	0	0	0	0.06	0	0.01	c_{3_}	9.06	9.39	16.02	0	1.28	0
			d_{1_}	0	0	0	5.25	0	14.9	c_{4_}	0	0	0	8.24	0	-1.56
			d_{2_}	7	12.17	-14.31	0	19.58	0	c_{5_}	1.91	-1	1.28	0	4.57	0
			d_{3_}	0	0	0	8.62	0	4.9	c_{6_}	0	0	0	-1.56	0	4.88

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!