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}
101	Crystal Name: L-malic acid nicotinamide Chemical Formula: C₁₆H₁₈N₄O₇ H-M Space Group: P1 HD View 3D View Crystal Details	7240319
			e_{1_}	0.03	0.22	0.02	-0.04	-0.03	0.1	c_{1_}	39.26	21.21	22	-2.14	-8.31	9.15
			e_{2_}	0.03	0.89	-0.06	-0.09	0.05	0.36	c_{2_}	21.21	37.17	19.7	1.91	-3.76	10.36
			e_{3_}	-0.01	0.3	-0.04	-0.02	0.06	0.15	c_{3_}	22	19.7	38.24	8.73	-8.92	2.62
			d_{1_}	-4.49	7.6	-1.07	-2.71	-2.82	4.79	c_{4_}	-2.14	1.91	8.73	11.47	1.27	-3.73
			d_{2_}	-16.22	34.01	-10.86	-2.55	-1.5	18	c_{5_}	-8.31	-3.76	-8.92	1.27	13.06	-1.96
			d_{3_}	-6.24	10.07	-2.98	1.21	2.89	12.12	c_{6_}	9.15	10.36	2.62	-3.73	-1.96	9.75
102	Crystal Name: 2-Ethylisoindoline-1,3-dione Chemical Formula: C₁₀H₉NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2211378
			e_{1_}	0	0	0	0	0	0.06	c_{1_}	20.79	11.04	13.39	0	-0.03	0
			e_{2_}	0.03	-0.01	0.03	0	-0.01	0	c_{2_}	11.04	13.26	11.65	0	2.24	0
			e_{3_}	0	0	0	0.04	0	0	c_{3_}	13.39	11.65	17.67	0	0.76	0
			d_{1_}	0	0	0	-7.66	0	10.83	c_{4_}	0	0	0	2.97	0	1.77
			d_{2_}	1.29	-5.39	4.51	0	-1.21	0	c_{5_}	-0.03	2.24	0.76	0	4.36	0
			d_{3_}	0	0	0	16.77	0	-5.02	c_{6_}	0	0	0	1.77	0	6.43
103	Crystal Name: L-Methionine Chemical Formula: C₅H₁₁NO₂S H-M Space Group: P1₂1₁ HD View 3D View Crystal Details	5000012
			e_{1_}	0	0	0	0	0	0.07	c_{1_}	42.81	14.97	12.69	0	-1.55	0
			e_{2_}	0.07	0.17	0.09	0	0.01	0	c_{2_}	14.97	32.35	10.05	0	-1.3	0
			e_{3_}	0	0	0	0.05	0	0.02	c_{3_}	12.69	10.05	21.11	0	-4.1	0
			d_{1_}	0	0	0	3.18	0	9.41	c_{4_}	0	0	0	2.85	0	-0.45
			d_{2_}	-0.8	4.97	2.89	0	3.73	0	c_{5_}	-1.55	-1.3	-4.1	0	6.07	0
			d_{3_}	0	0	0	17.19	0	3.69	c_{6_}	0	0	0	-0.45	0	7.75
104	Crystal Name: p-aminobenzoic acid Chemical Formula: C₇H₇NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	7232195
			e_{1_}	0.1	0	-0.01	0	0.02	0	c_{1_}	26.02	15.69	12.1	0	2.58	0
			e_{2_}	0	0	0	-0.02	0	0.03	c_{2_}	15.69	21.24	16.15	0	-4.46	0
			e_{3_}	0.06	-0.02	0.01	0	0.07	0	c_{3_}	12.1	16.15	20.75	0	1.12	0
			d_{1_}	8.05	-6.94	0.39	0	-2.99	0	c_{4_}	0	0	0	8.04	0	-4.45
			d_{2_}	0	0	0	-1.25	0	2.37	c_{5_}	2.58	-4.46	1.12	0	10.35	0
			d_{3_}	2.93	-2.28	0.39	0	4.98	0	c_{6_}	0	0	0	-4.45	0	9.57
105	Crystal Name: (2R,4S,5R)-2-tert-Butyl-3-(furan-2-carbonyl)-5-methyloxazolidine-4-carboxylic acid Chemical Formula: C₁₄H₁₉NO₅ H-M Space Group: P1 HD View 3D View Crystal Details	4507426
			e_{1_}	0.03	-0.01	0	-0.02	0.04	0	c_{1_}	26.5	12.87	10.38	1.57	-1.98	-0.64
			e_{2_}	-0.06	0.01	0.02	0.04	0	-0.02	c_{2_}	12.87	15.93	6.17	1.53	-1.07	0.59
			e_{3_}	-0.01	0.03	0.07	0.02	-0.02	-0.01	c_{3_}	10.38	6.17	20.17	1.32	-2.76	-2.54
			d_{1_}	2.74	-2.14	-0.34	0.28	6.15	-1.89	c_{4_}	1.57	1.53	1.32	5.37	-3.45	-1.28
			d_{2_}	-5.17	3.14	2.6	10.66	6.11	-3.17	c_{5_}	-1.98	-1.07	-2.76	-3.45	7.36	1.83
			d_{3_}	-3.69	2.8	4.29	2.3	-1.13	1.35	c_{6_}	-0.64	0.59	-2.54	-1.28	1.83	4.46
106	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1544223
			e_{1_}	0	0	0	0.09	0	0	c_{1_}	12.75	13.32	11.68	0	0	0
			e_{2_}	0	0	0	0	0.09	0	c_{2_}	13.32	12.75	11.68	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	11.68	11.68	65.15	0	0	0
			d_{1_}	0	0	0	11.38	0	0	c_{4_}	0	0	0	7.62	0	0
			d_{2_}	0	0	0	0	11.38	0	c_{5_}	0	0	0	0	7.62	0
			d_{3_}	0	0	0	0	0	-1.76	c_{6_}	0	0	0	0	0	17.52
107	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516353
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	23.08	14.36	5.33	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	14.36	32.25	9.43	0	0	0
			e_{3_}	0.07	0.02	0.04	0	0	0	c_{3_}	5.33	9.43	24.78	0	0	0
			d_{1_}	0	0	0	0	-55.78	0	c_{4_}	0	0	0	1.96	0	0
			d_{2_}	0	0	0	5.97	0	0	c_{5_}	0	0	0	0	-0.33	0
			d_{3_}	3.37	-1.1	1.18	0	0	0	c_{6_}	0	0	0	0	0	6.13
108	Crystal Name: Benzotriazol-1-ylmethyl Derivatives Chemical Formula: C₇H₆N₄O H-M Space Group: Cc HD View 3D View Crystal Details	1558911
			e_{1_}	-0.05	-0.1	-0.07	0	-0.12	0	c_{1_}	37.48	16.75	43.85	0	30.39	0
			e_{2_}	0	0	0	-0.03	0	-0.06	c_{2_}	16.75	17.85	12.37	0	2.37	0
			e_{3_}	-0.07	-0.07	-0.11	0	-0.04	0	c_{3_}	43.85	12.37	61.2	0	40.55	0
			d_{1_}	-66.29	43.87	10.48	0	40.78	0	c_{4_}	0	0	0	16.8	0	13.47
			d_{2_}	0	0	0	17.35	0	-24.25	c_{5_}	30.39	2.37	40.55	0	33.59	0
			d_{3_}	-7.69	5.33	-4.89	0	11.3	0	c_{6_}	0	0	0	13.47	0	12.31
109	Crystal Name: Epsilon glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	4504974
			e_{1_}	-0.26	-0.01	0.05	0	0.27	0	c_{1_}	60.33	14.32	22.59	0	-11.96	0
			e_{2_}	0	0	0	0.02	0	-0.06	c_{2_}	14.32	30.84	16.23	0	-1.28	0
			e_{3_}	0.01	0.02	0.67	0	-0.31	0	c_{3_}	22.59	16.23	78.23	0	-21.01	0
			d_{1_}	-1.99	-2.56	8.09	0	23.59	0	c_{4_}	0	0	0	8.93	0	-0.56
			d_{2_}	0	0	0	1.26	0	-7.72	c_{5_}	-11.96	-1.28	-21.01	0	17.62	0
			d_{3_}	-4.41	-1.48	6.81	0	-12.38	0	c_{6_}	0	0	0	-0.56	0	7.59
110	Crystal Name: L-malic acid Chemical Formula: C₄H₆O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	7229993
			e_{1_}	0	0	0	-0.07	0	0.07	c_{1_}	24.88	14.42	12.13	0	0.36	0
			e_{2_}	-0.04	0.09	0	0	0.04	0	c_{2_}	14.42	42.31	16.54	0	-4.87	0
			e_{3_}	0	0	0	0.08	0	0.02	c_{3_}	12.13	16.54	25.22	0	-3.41	0
			d_{1_}	0	0	0	-2.69	0	3.54	c_{4_}	0	0	0	14.71	0	-9.61
			d_{2_}	-4.4	4.3	0.08	0	7	0	c_{5_}	0.36	-4.87	-3.41	0	8.44	0
			d_{3_}	0	0	0	12.71	0	10.97	c_{6_}	0	0	0	-9.61	0	13.29
111	Crystal Name: Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	4512893
			e_{1_}	-0.08	0.08	0	-0.08	-0.09	0.02	c_{1_}	36.45	21.22	18.59	-1.47	0.92	0
			e_{2_}	0.02	-0.02	0	-0.09	0.08	0.08	c_{2_}	21.22	36.45	18.59	1.47	-0.92	0
			e_{3_}	0.03	0.03	-0.81	0	0	0	c_{3_}	18.59	18.59	86.54	0	0	0
			d_{1_}	-5.56	5.56	0	-6.57	-4.83	1.44	c_{4_}	-1.47	1.47	0	15.1	0	-0.92
			d_{2_}	0.72	-0.72	0	-4.83	6.57	11.11	c_{5_}	0.92	-0.92	0	0	15.1	-1.47
			d_{3_}	4.2	4.2	-11.22	0	0	0	c_{6_}	0	0	0	-0.92	-1.47	7.62
112	Crystal Name: 2-Methoxyphenylhydrazone Dehydroascorbic Acid Chemical Formula: C₁₃H₁₄N₂O₆ H-M Space Group: P1 HD View 3D View Crystal Details	2202930
			e_{1_}	-0.12	0	-0.07	0.04	0.01	0.02	c_{1_}	32.32	13.59	14.92	-3.77	-0.55	-3.48
			e_{2_}	0.04	0.14	0.02	-0.05	0.01	-0.03	c_{2_}	13.59	24.32	11.39	-6.98	-2.89	3.1
			e_{3_}	-0.02	-0.06	-0.05	0.08	-0.01	0.02	c_{3_}	14.92	11.39	21.09	-1.98	-0.81	1.8
			d_{1_}	-3.89	10.8	-4.18	14.41	23.76	2.5	c_{4_}	-3.77	-6.98	-1.98	6.22	0.16	-0.67
			d_{2_}	-3.21	14.8	-2.75	4.19	33.62	-4.96	c_{5_}	-0.55	-2.89	-0.81	0.16	1.39	-1.16
			d_{3_}	2.71	1.57	-4.03	15.67	-1.43	4.24	c_{6_}	-3.48	3.1	1.8	-0.67	-1.16	8.76
113	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516344
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	21.66	13.58	5.12	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.58	30.93	9.07	0	0	0
			e_{3_}	0.07	0.03	0.04	0	0	0	c_{3_}	5.12	9.07	24.03	0	0	0
			d_{1_}	0	0	0	0	-66.7	0	c_{4_}	0	0	0	1.61	0	0
			d_{2_}	0	0	0	6.82	0	0	c_{5_}	0	0	0	0	-0.3	0
			d_{3_}	3.54	-1.08	1.16	0	0	0	c_{6_}	0	0	0	0	0	5.7
114	Crystal Name: Guanidinium nitrate Chemical Formula: CH₆N₄O₃ H-M Space Group: Pc HD View 3D View Crystal Details	7105956
			e_{1_}	-0.07	-0.02	0.04	0	0	0	c_{1_}	34.49	21.15	21.01	0	-13.97	0
			e_{2_}	0	0	0	0.11	0	-0.04	c_{2_}	21.15	21.71	14.8	0	-6.67	0
			e_{3_}	0.07	0.08	0	0	0	0	c_{3_}	21.01	14.8	20.02	0	-9.22	0
			d_{1_}	-10.26	1.52	10.11	0	-2.8	0	c_{4_}	0	0	0	7.4	0	1.49
			d_{2_}	0	0	0	16	0	-4.62	c_{5_}	-13.97	-6.67	-9.22	0	13.24	0
			d_{3_}	3.51	5.79	-7.2	0	1.75	0	c_{6_}	0	0	0	1.49	0	12.87
115	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566513
			e_{1_}	0	0	0	0.07	0	0	c_{1_}	14.22	14.2	12.27	0	0	0
			e_{2_}	0	0	0	0	0.07	0	c_{2_}	14.2	14.22	12.27	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.27	12.27	70.44	0	0	0
			d_{1_}	0	0	0	8.82	0	0	c_{4_}	0	0	0	8.26	0	0
			d_{2_}	0	0	0	0	8.82	0	c_{5_}	0	0	0	0	8.26	0
			d_{3_}	0	0	0	0	0	-1.62	c_{6_}	0	0	0	0	0	18.52
116	Crystal Name: 4-Cyanoimidazolium-5-olate Chemical Formula: C₄H₃N₃O H-M Space Group: Pna2₁ HD View 3D View Crystal Details	2105613
			e_{1_}	0	0	0	0	0.15	0	c_{1_}	71.71	31.63	14.61	0	0	0
			e_{2_}	0	0	0	0.11	0	0	c_{2_}	31.63	48.41	8.73	0	0	0
			e_{3_}	0.3	0.21	0.02	0	0	0	c_{3_}	14.61	8.73	20.15	0	0	0
			d_{1_}	0	0	0	0	20.71	0	c_{4_}	0	0	0	7.98	0	0
			d_{2_}	0	0	0	13.61	0	0	c_{5_}	0	0	0	0	7.39	0
			d_{3_}	3.69	2.38	-2.55	0	0	0	c_{6_}	0	0	0	0	0	16.38
117	Crystal Name: Sarcosinium tartrate Chemical Formula: C₇H₁₃NO₈ H-M Space Group: P1 HD View 3D View Crystal Details	2011779
			e_{1_}	-0.05	0.08	-0.01	-0.05	-0.01	0.08	c_{1_}	42.76	25.17	17.23	4.16	-2.4	-10.39
			e_{2_}	0.06	-0.1	0.03	0.09	-0.12	0.05	c_{2_}	25.17	47.61	16.65	6.05	-4.62	-18.17
			e_{3_}	0.15	0.05	0.01	-0.06	-0.01	-0.11	c_{3_}	17.23	16.65	30.12	4.16	-6.43	-4.3
			d_{1_}	-1.14	8.29	-4.47	-9.8	-16.41	12.64	c_{4_}	4.16	6.05	4.16	11.43	-5.2	-4.13
			d_{2_}	5.68	-2.27	-5.28	0.72	-25.99	9.53	c_{5_}	-2.4	-4.62	-6.43	-5.2	7.56	5.65
			d_{3_}	4.72	-2.41	-1.57	-9.7	-4.93	-5.98	c_{6_}	-10.39	-18.17	-4.3	-4.13	5.65	20.2
118	Crystal Name: Pyridine III Chemical Formula: C₅H₅N H-M Space Group: P4₁2₁2 HD View 3D View Crystal Details	1556894
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	14.3	10.17	9.79	0	0	0
			e_{2_}	0	0	0	0	-0.02	0	c_{2_}	10.17	14.3	9.79	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	9.79	9.79	13.22	0	0	0
			d_{1_}	0	0	0	6.58	0	0	c_{4_}	0	0	0	2.92	0	0
			d_{2_}	0	0	0	0	-6.58	0	c_{5_}	0	0	0	0	2.92	0
			d_{3_}	0	0	0	0	0	0	c_{6_}	0	0	0	0	0	4.64
119	Crystal Name: 2-Amino-N,3-dimethylbenzamide Chemical Formula: C₉H₁₂N₂O H-M Space Group: P2₁ HD View 3D View Crystal Details	2237018
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	17.34	12.6	8.7	0	-0.71	0
			e_{2_}	0.05	-0.14	-0.02	0	0.02	0	c_{2_}	12.6	27.48	9.95	0	-0.99	0
			e_{3_}	0	0	0	-0.03	0	0.04	c_{3_}	8.7	9.95	27.5	0	-3.76	0
			d_{1_}	0	0	0	-0.74	0	1.3	c_{4_}	0	0	0	3.74	0	-0.32
			d_{2_}	9.61	-9.35	-0.07	0	2.53	0	c_{5_}	-0.71	-0.99	-3.76	0	5.28	0
			d_{3_}	0	0	0	-8.65	0	5.27	c_{6_}	0	0	0	-0.32	0	7.86
120	Crystal Name: Ethyl 19-hydroxy-16-methyl-2-oxo-13-oxapentacyclo[14.2.2.01,14.03,12.04,9]icosa-3(12),4,6,8,10,17-hexaene-17-carboxylate Chemical Formula: C₂₃H₂₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	1515178
			e_{1_}	-0.05	0.08	0	-0.03	-0.01	0.02	c_{1_}	22.44	12.85	11.75	-0.57	0.68	0.64
			e_{2_}	0	0.1	0.05	-0.04	-0.01	0.04	c_{2_}	12.85	30.38	13.48	-6.11	-1.05	7.88
			e_{3_}	0.02	-0.07	-0.07	0.06	-0.01	-0.01	c_{3_}	11.75	13.48	14	-2.68	0.35	1.77
			d_{1_}	-4.6	6.24	-1.74	-1.77	0.58	-4.8	c_{4_}	-0.57	-6.11	-2.68	6	-0.37	-2.59
			d_{2_}	-2.87	1.38	4.23	-2.85	-2.68	2.19	c_{5_}	0.68	-1.05	0.35	-0.37	2.04	0.05
			d_{3_}	5.62	-0.81	-7.68	8.48	-2.9	4.82	c_{6_}	0.64	7.88	1.77	-2.59	0.05	6.64
121	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P1 HD View 3D View Crystal Details	7201215
			e_{1_}	0	0	0	0	0	0	c_{1_}	311.4	14.87	10.94	-3.44	4.75	-5.12
			e_{2_}	0	0	0	0	0	0	c_{2_}	14.87	23.06	10.35	2.03	0.84	-1.17
			e_{3_}	0	0	0	0	0	0	c_{3_}	10.94	10.35	15.88	1.39	0.33	0.31
			d_{1_}	0.02	0.08	-0.08	-0.14	0.01	1.22	c_{4_}	-3.44	2.03	1.39	5.71	0.91	0.69
			d_{2_}	0	0.01	0	-0.01	0.01	0.53	c_{5_}	4.75	0.84	0.33	0.91	2.01	1.33
			d_{3_}	0	0.02	-0.01	0.03	-0.15	-0.21	c_{6_}	-5.12	-1.17	0.31	0.69	1.33	2.21
122	Crystal Name: hydroxyammonium dinitro(4-nitro-1H-1,2,3-triazol-1-yl)methanide Chemical Formula: C₃H₅N₇O₇ H-M Space Group: Pc HD View 3D View Crystal Details	7246999
			e_{1_}	0	0.16	0	0	0.05	0	c_{1_}	23.84	16.84	17.83	0	0.56	0
			e_{2_}	0	0	0	0.05	0	-0.02	c_{2_}	16.84	67.11	18.29	0	-4.94	0
			e_{3_}	0.08	0.22	-0.05	0	0.01	0	c_{3_}	17.83	18.29	21.15	0	2.2	0
			d_{1_}	0.85	4.03	-5.03	0	6.22	0	c_{4_}	0	0	0	5.86	0	-2.84
			d_{2_}	0	0	0	8.68	0	0.58	c_{5_}	0.56	-4.94	2.2	0	12.79	0
			d_{3_}	13.89	5.53	-19.39	0	5.28	0	c_{6_}	0	0	0	-2.84	0	8.75
123	Crystal Name: Phenylmethanol Chemical Formula: C₇H₈O H-M Space Group: P2₁ HD View 3D View Crystal Details	7238218
			e_{1_}	0	0	0	-0.02	0	-0.02	c_{1_}	10.49	8.52	8.83	0	1.63	0
			e_{2_}	-0.02	0.08	0.06	0	-0.03	0	c_{2_}	8.52	18.4	10.12	0	-3.54	0
			e_{3_}	0	0	0	0.03	0	-0.02	c_{3_}	8.83	10.12	13.36	0	-0.41	0
			d_{1_}	0	0	0	-8.04	0	-9.14	c_{4_}	0	0	0	6.38	0	-3.85
			d_{2_}	-18.54	8.57	10.14	0	6.84	0	c_{5_}	1.63	-3.54	-0.41	0	5.7	0
			d_{3_}	0	0	0	4.83	0	0.47	c_{6_}	0	0	0	-3.85	0	6.04
124	Crystal Name: glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2201044
			e_{1_}	0	0	0	-0.11	0	0.23	c_{1_}	65.11	12.79	21.94	0	-9.56	0
			e_{2_}	0.01	-0.12	0.12	0	-0.07	0	c_{2_}	12.79	26.08	16.47	0	-2.75	0
			e_{3_}	0	0	0	0.02	0	-0.06	c_{3_}	21.94	16.47	79.38	0	-20.56	0
			d_{1_}	0	0	0	-20.87	0	52.8	c_{4_}	0	0	0	8.44	0	1.23
			d_{2_}	0.38	-6.61	2.25	0	-2.12	0	c_{5_}	-9.56	-2.75	-20.56	0	17.18	0
			d_{3_}	0	0	0	4.35	0	-14.44	c_{6_}	0	0	0	1.23	0	4.81
125	Crystal Name: 4-Hydroxy-3-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-chromen-2-one Chemical Formula: C₂₁H₁₈O₇ H-M Space Group: P1 HD View 3D View Crystal Details	2222336
			e_{1_}	-0.01	0.07	0.03	-0.02	0	0.02	c_{1_}	13.59	12.85	8.22	0.83	0.68	1.67
			e_{2_}	-0.02	0.01	-0.02	0.02	0	0	c_{2_}	12.85	10.72	14.51	-2.9	-1.74	1.34
			e_{3_}	0	-0.03	0.02	-0.06	0.02	-0.02	c_{3_}	8.22	14.51	23.52	0.42	2.26	2.52
			d_{1_}	-2.86	-0.74	1.21	-14.34	-9.91	25.25	c_{4_}	0.83	-2.9	0.42	2.35	-0.46	0.25
			d_{2_}	1.41	-4.44	1.47	0.1	-7.42	4.78	c_{5_}	0.68	-1.74	2.26	-0.46	2.27	0.57
			d_{3_}	-3.23	6.87	-1.44	-10.17	22.69	-24.62	c_{6_}	1.67	1.34	2.52	0.25	0.57	1.38

Predicted Material Properties Repository and Database (CrystalDFT)

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