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}
251	Crystal Name: Aminoguanidinium 4,5-dicyano-1,2,3-triazolate Chemical Formula: C₅H₇N₉ H-M Space Group: Pc HD View 3D View Crystal Details	4301455
			e_{1_}	0.03	0	0.04	0	0.02	0	c_{1_}	14.06	11.33	16.94	0	4.21	0
			e_{2_}	0	0	0	0.36	0	0.61	c_{2_}	11.33	30.11	22.63	0	9.46	0
			e_{3_}	-0.01	-0.01	-0.05	0	0	0	c_{3_}	16.94	22.63	44.23	0	17.35	0
			d_{1_}	3.39	-1.43	-0.39	0	1.82	0	c_{4_}	0	0	0	4.39	0	1.81
			d_{2_}	0	0	0	455.82	0	-908.58	c_{5_}	4.21	9.46	17.35	0	13.61	0
			d_{3_}	2.36	0.46	-3.68	0	3.76	0	c_{6_}	0	0	0	1.81	0	0.23
252	Crystal Name: Benzyl N-{(1S)-2-hydroxy-1-[N-(2-nitrobenzylidene)hydrazinylcarbonyl]ethyl}carbamate Chemical Formula: C₁₈H₁₈N₄O₆ H-M Space Group: P1 HD View 3D View Crystal Details	2227150
			e_{1_}	0.09	-0.06	-0.05	-0.01	-0.04	0.02	c_{1_}	29.05	14.92	12.47	2.47	-0.04	-2.67
			e_{2_}	0.02	-0.02	0	-0.02	0.03	-0.05	c_{2_}	14.92	21.39	14.49	2.91	0.31	-2.87
			e_{3_}	0	-0.02	-0.06	0	-0.02	0.03	c_{3_}	12.47	14.49	26.77	4.83	4.09	1.95
			d_{1_}	7.34	-6.43	-0.94	-0.64	-6.91	5.09	c_{4_}	2.47	2.91	4.83	5.95	-0.72	-0.21
			d_{2_}	1.1	-4.88	3.09	-4.47	4.66	-10.71	c_{5_}	-0.04	0.31	4.09	-0.72	5.75	1.28
			d_{3_}	1.52	2.84	-5.65	2.41	-0.33	8.35	c_{6_}	-2.67	-2.87	1.95	-0.21	1.28	7
253	Crystal Name: 1,2-Naphthoquinone-2-semicarbazone Chemical Formula: C₁₁H₉N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4509389
			e_{1_}	0	0	0	0.02	0	-0.12	c_{1_}	22.99	12.56	18.26	0	-2.39	0
			e_{2_}	-0.07	-0.05	-0.04	0	0.01	0	c_{2_}	12.56	18.71	11.15	0	0.25	0
			e_{3_}	0	0	0	-0.02	0	-0.02	c_{3_}	18.26	11.15	32.28	0	-8.95	0
			d_{1_}	0	0	0	22.89	0	-23.05	c_{4_}	0	0	0	2.36	0	1.45
			d_{2_}	-3.43	-1.14	1.4	0	1.5	0	c_{5_}	-2.39	0.25	-8.95	0	6.94	0
			d_{3_}	0	0	0	-9.03	0	-0.38	c_{6_}	0	0	0	1.45	0	6.85
254	Crystal Name: Methyl 1,3-benzoxazole-2-carboxylate Chemical Formula: C₉H₇NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2243934
			e_{1_}	0	0	0	0.02	0	-0.02	c_{1_}	24.67	10.35	9.69	0	2.69	0
			e_{2_}	0.01	-0.02	-0.02	0	0.01	0	c_{2_}	10.35	12.21	11.38	0	-0.56	0
			e_{3_}	0	0	0	-0.06	0	0.01	c_{3_}	9.69	11.38	13.19	0	-0.14	0
			d_{1_}	0	0	0	3.06	0	-9.73	c_{4_}	0	0	0	6.83	0	0.09
			d_{2_}	1.51	-0.31	-2.65	0	1.78	0	c_{5_}	2.69	-0.56	-0.14	0	3.81	0
			d_{3_}	0	0	0	-8.63	0	5.29	c_{6_}	0	0	0	0.09	0	2.01
255	Crystal Name: N-methyl-3,5-dinitro-1H-pyrazol-4-amine Chemical Formula: C₄H₅N₅O₄ H-M Space Group: Pc HD View 3D View Crystal Details	7245897
			e_{1_}	0	0.17	-0.05	0	-0.03	0	c_{1_}	14.62	16.29	15.23	0	3.45	0
			e_{2_}	0	0	0	-0.14	0	-0.05	c_{2_}	16.29	47.15	14.08	0	6.52	0
			e_{3_}	-0.01	-0.1	-0.09	0	0.01	0	c_{3_}	15.23	14.08	29.78	0	9.8	0
			d_{1_}	-6.4	6.43	0.42	0	-5.81	0	c_{4_}	0	0	0	15.11	0	11.57
			d_{2_}	0	0	0	-24.01	0	19.08	c_{5_}	3.45	6.52	9.8	0	9.18	0
			d_{3_}	14.84	-5.25	-11.9	0	11.51	0	c_{6_}	0	0	0	11.57	0	11.82
256	Crystal Name: 2-carbonohydrazonoylquinoxaline Chemical Formula: C₉H₈N₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	7054472
			e_{1_}	0	0	0	-0.03	0	-0.02	c_{1_}	28.16	19.25	19.72	0	-1.23	0
			e_{2_}	0.05	-0.03	-0.04	0	-0.01	0	c_{2_}	19.25	21.48	20.21	0	2.09	0
			e_{3_}	0	0	0	-0.01	0	0	c_{3_}	19.72	20.21	24.86	0	1.25	0
			d_{1_}	0	0	0	-3.82	0	-5.42	c_{4_}	0	0	0	6.27	0	1.3
			d_{2_}	10.26	-9.16	-2.66	0	9.62	0	c_{5_}	-1.23	2.09	1.25	0	2.83	0
			d_{3_}	0	0	0	-1.01	0	-0.68	c_{6_}	0	0	0	1.3	0	2.37
257	Crystal Name: L-Asparagine Chemical Formula: C₄H₈N₂O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2215317
			e_{1_}	0	0	0	0.1	0	-0.07	c_{1_}	63	17.18	20.09	0	-9.82	0
			e_{2_}	0.08	0.11	0.14	0	-0.05	0	c_{2_}	17.18	29.76	15.24	0	-0.79	0
			e_{3_}	0	0	0	0	0	0.04	c_{3_}	20.09	15.24	94.19	0	-14.62	0
			d_{1_}	0	0	0	8.35	0	-11.02	c_{4_}	0	0	0	12.8	0	0.53
			d_{2_}	-0.36	3.52	0.38	0	-3.65	0	c_{5_}	-9.82	-0.79	-14.62	0	12.99	0
			d_{3_}	0	0	0	-0.24	0	6.17	c_{6_}	0	0	0	0.53	0	6.89
258	Crystal Name: 3-(hydroxy(phenyl)methyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one Chemical Formula: C₁₉H₂₁NO₃ H-M Space Group: P1 HD View 3D View Crystal Details	4130305
			e_{1_}	0.13	-0.02	-0.02	-0.01	0.01	0.07	c_{1_}	25.77	15.46	9.28	-1	-0.3	-0.93
			e_{2_}	0.02	0.08	0.01	-0.02	-0.03	-0.02	c_{2_}	15.46	18.37	7.84	-0.96	-0.45	-4.43
			e_{3_}	0.06	0.03	-0.04	0.02	0	-0.04	c_{3_}	9.28	7.84	20.03	1.63	-0.37	-1.89
			d_{1_}	11.35	-8.36	-2.7	3.09	2.83	3.68	c_{4_}	-1	-0.96	1.63	1.99	-0.64	-0.45
			d_{2_}	-4.06	7.46	0.11	-9.19	-4.86	0.45	c_{5_}	-0.3	-0.45	-0.37	-0.64	5.93	-1.05
			d_{3_}	4.74	0.53	-6.23	19.58	1.24	-2.69	c_{6_}	-0.93	-4.43	-1.89	-0.45	-1.05	11.21
259	Crystal Name: L-alanine Chemical Formula: C₃H₇NO₂ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	2104784
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	73.16	8.95	15.65	0	0	0
			e_{2_}	0	0	0	0	-0.03	0	c_{2_}	8.95	30.11	22.74	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	15.65	22.74	36.35	0	0	0
			d_{1_}	0	0	0	-3.38	0	0	c_{4_}	0	0	0	10.21	0	0
			d_{2_}	0	0	0	0	-3.53	0	c_{5_}	0	0	0	0	8.11	0
			d_{3_}	0	0	0	0	0	-5.75	c_{6_}	0	0	0	0	0	7.1
260	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232399
			e_{1_}	0	0	0	-0.03	0	-0.01	c_{1_}	13.87	9.33	10.28	0	0.29	0
			e_{2_}	0.05	0.03	0.01	0	-0.01	0	c_{2_}	9.33	15.85	11.05	0	0.9	0
			e_{3_}	0	0	0	0.03	0	0	c_{3_}	10.28	11.05	15.6	0	-0.49	0
			d_{1_}	0	0	0	-4.54	0	-0.39	c_{4_}	0	0	0	5.5	0	0.97
			d_{2_}	5.09	2.58	-4.61	0	-3.05	0	c_{5_}	0.29	0.9	-0.49	0	5.75	0
			d_{3_}	0	0	0	5.42	0	-0.84	c_{6_}	0	0	0	0.97	0	5.69
261	Crystal Name: benzaldehyde Chemical Formula: C₁₀H₈N₂O H-M Space Group: P2₁ HD View 3D View Crystal Details	2022804
			e_{1_}	0	0	0	0.02	0	-0.01	c_{1_}	22.86	10.74	7.92	0	0.7	0
			e_{2_}	-0.02	0.09	0.02	0	0.03	0	c_{2_}	10.74	24.04	19.11	0	-2.5	0
			e_{3_}	0	0	0	0.06	0	0	c_{3_}	7.92	19.11	23	0	-0.86	0
			d_{1_}	0	0	0	0.84	0	-10.5	c_{4_}	0	0	0	7.62	0	-1.23
			d_{2_}	-8.66	24.66	-14.96	0	48.63	0	c_{5_}	0.7	-2.5	-0.86	0	1.75	0
			d_{3_}	0	0	0	10.32	0	16.35	c_{6_}	0	0	0	-1.23	0	0.97
262	Crystal Name: 5-nitrofurazone Chemical Formula: C₆H₆N₄O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2107484
			e_{1_}	0	0	0	0.01	0	0.11	c_{1_}	10.06	12.02	15.26	0	-4.66	0
			e_{2_}	0.13	0.19	0.09	0	-0.05	0	c_{2_}	12.02	22.33	15.69	0	-7.61	0
			e_{3_}	0	0	0	0.08	0	-0.04	c_{3_}	15.26	15.69	23.03	0	-9.88	0
			d_{1_}	0	0	0	58.25	0	94.54	c_{4_}	0	0	0	9.25	0	-5.59
			d_{2_}	-73.64	22.62	44.28	0	15.89	0	c_{5_}	-4.66	-7.61	-9.88	0	13.56	0
			d_{3_}	0	0	0	11.32	0	4.4	c_{6_}	0	0	0	-5.59	0	4.66
263	Crystal Name: hydroxyammonium (6-azido[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)(nitro)azanide Chemical Formula: C₃H₄N₁₂O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7237654
			e_{1_}	0	0	0	0.01	0	0.26	c_{1_}	48.2	22.26	19.35	0	10.33	0
			e_{2_}	0.04	0.04	0.06	0	0.04	0	c_{2_}	22.26	17.46	12.05	0	-0.08	0
			e_{3_}	0	0	0	-0.01	0	0.11	c_{3_}	19.35	12.05	16.11	0	0.81	0
			d_{1_}	0	0	0	2.1	0	26.48	c_{4_}	0	0	0	10.59	0	-0.36
			d_{2_}	-9.52	9.64	7.23	0	13.61	0	c_{5_}	10.33	-0.08	0.81	0	10.17	0
			d_{3_}	0	0.01	0	-0.63	0	11.12	c_{6_}	0	0	0	-0.36	0	9.68
264	Crystal Name: Beta-glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	1556578
			e_{1_}	0	0	0	-0.11	0	0.23	c_{1_}	65.06	13.46	20.92	0	-8.45	0
			e_{2_}	0	-0.12	0.1	0	-0.07	0	c_{2_}	13.46	29.87	16.56	0	-2.88	0
			e_{3_}	0	0	0	0.02	0	-0.06	c_{3_}	20.92	16.56	78.8	0	-19.25	0
			d_{1_}	0	0	0	-17.84	0	46.17	c_{4_}	0	0	0	8.88	0	1.07
			d_{2_}	0.24	-5.31	1.63	0	-2.7	0	c_{5_}	-8.45	-2.88	-19.25	0	18.05	0
			d_{3_}	0	0	0	3.13	0	-11.72	c_{6_}	0	0	0	1.07	0	5.32
265	Crystal Name: 2-(2-Nitrophenyl)acetohydrazide Chemical Formula: C₈H₉N₃O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2236935
			e_{1_}	0	0	0	-0.05	0	0	c_{1_}	23.8	15.13	15.21	0	-4	0
			e_{2_}	-0.08	0.15	-0.03	0	-0.03	0	c_{2_}	15.13	31.04	17.07	0	1.54	0
			e_{3_}	0	0	0	0.08	0	-0.06	c_{3_}	15.21	17.07	24.97	0	-1.69	0
			d_{1_}	0	0	0	-15.83	0	5.88	c_{4_}	0	0	0	4.49	0	2.78
			d_{2_}	-13.97	15.32	-4.47	0	-21.52	0	c_{5_}	-4	1.54	-1.69	0	5.37	0
			d_{3_}	0	0	0	30.31	0	-20.4	c_{6_}	0	0	0	2.78	0	6.97
266	Crystal Name: Oxonium 3-amino-2,4-dinitro-5-oxocyclopenta-1,3-dien-1-olate Chemical Formula: C₅H₅N₃O₇ H-M Space Group: C2 HD View 3D View Crystal Details	7061376
			e_{1_}	0	0	0	0.63	0	-0.24	c_{1_}	18.24	6.55	14.81	0	-0.89	0
			e_{2_}	0.02	-0.42	-0.05	0	0.07	0	c_{2_}	6.55	82.44	22.89	0	-4.04	0
			e_{3_}	0	0	0	1.4	0	-0.55	c_{3_}	14.81	22.89	40.04	0	-10.3	0
			d_{1_}	0	0	0	-6.59	0	7.56	c_{4_}	0	0	0	-64.72	0	26.42
			d_{2_}	-1.37	-6.01	6.17	0	13.44	0	c_{5_}	-0.89	-4.04	-10.3	0	7.79	0
			d_{3_}	0	0	0	-17.68	0	9.79	c_{6_}	0	0	0	26.42	0	-8.09
267	Crystal Name: 5-(4-(4H-1,2,4-Triazol-4-yl)phenyl)-1H-tetrazole Chemical Formula: C₉H₇N₇ H-M Space Group: Pc HD View 3D View Crystal Details	2018627
			e_{1_}	0.02	-0.01	0.12	0	0.04	0	c_{1_}	25.29	12.68	13.16	0	-3.05	0
			e_{2_}	0	0	0	-0.01	0	0.04	c_{2_}	12.68	38.4	28.68	0	-6.1	0
			e_{3_}	0.01	0.03	0.08	0	0.03	0	c_{3_}	13.16	28.68	35	0	-8.36	0
			d_{1_}	-0.56	-8.66	16.01	0	21.55	0	c_{4_}	0	0	0	21.93	0	-7.88
			d_{2_}	0	0	0	34.36	0	96.79	c_{5_}	-3.05	-6.1	-8.36	0	5.55	0
			d_{3_}	-1	-2.76	8.19	0	13.36	0	c_{6_}	0	0	0	-7.88	0	3.2
268	Crystal Name: Acetic acid Chemical Formula: C₂H₄O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	2008187
			e_{1_}	0	0	0	0	-0.07	0	c_{1_}	18.79	5.97	9.5	0	0	0
			e_{2_}	0	0	0	0.09	0	0	c_{2_}	5.97	16.45	8.77	0	0	0
			e_{3_}	0.01	0.06	-0.01	0	0	0	c_{3_}	9.5	8.77	16.99	0	0	0
			d_{1_}	0	0	0	0	-8.94	0	c_{4_}	0	0	0	6.35	0	0
			d_{2_}	0	0	0	14.19	0	0	c_{5_}	0	0	0	0	7.44	0
			d_{3_}	0.55	5.29	-3.43	0	0	0	c_{6_}	0	0	0	0	0	4.87
269	Crystal Name: 1H-Imidazol-3-ium-4-carboxylate Chemical Formula: C₄H₄N₂O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	2233232
			e_{1_}	0	0	0	0	-0.07	0	c_{1_}	31.29	26.39	11.56	0	0	0
			e_{2_}	0	0	0	-0.08	0	0	c_{2_}	26.39	82.7	9.26	0	0	0
			e_{3_}	0	-0.15	0.01	0	0	0	c_{3_}	11.56	9.26	25.33	0	0	0
			d_{1_}	0	0	0	0	-10.64	0	c_{4_}	0	0	0	4.79	0	0
			d_{2_}	0	0	0	-16.95	0	0	c_{5_}	0	0	0	0	6.61	0
			d_{3_}	1.94	-2.5	0.43	0	0	0	c_{6_}	0	0	0	0	0	15.75
270	Crystal Name: maleic anhydride Chemical Formula: C₄H₂O₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	2200807
			e_{1_}	0	0	0	0.04	0	0	c_{1_}	11.52	9.6	5.58	0	0	0
			e_{2_}	0	0	0	0	0.1	0	c_{2_}	9.6	18.78	6.97	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	5.58	6.97	17.21	0	0	0
			d_{1_}	0	0	0	22.54	0	0	c_{4_}	0	0	0	1.62	0	0
			d_{2_}	0	0	0	0	23.56	0	c_{5_}	0	0	0	0	4.24	0
			d_{3_}	0	0	0	0	0	2.71	c_{6_}	0	0	0	0	0	0.62
271	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566508
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	14.52	14.47	12.42	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.47	14.52	12.42	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.42	12.42	70.41	0	0	0
			d_{1_}	0	0	0	9.67	0	0	c_{4_}	0	0	0	8.09	0	0
			d_{2_}	0	0	0	0	9.66	0	c_{5_}	0	0	0	0	8.09	0
			d_{3_}	0	0	0	0	0	-1.64	c_{6_}	0	0	0	0	0	18.82
272	Crystal Name: poly-2,5-benzoxazole (ABPBO) and poly-2,6-benzothiazole (ABPBT) Chemical Formula: C₁₄H₆N₂O₂ H-M Space Group: P1 HD View 3D View Crystal Details	1542738
			e_{1_}	0	0	0	0	-0.11	0	c_{1_}	0.26	-3.12	6.43	0.11	-0.85	-3.03
			e_{2_}	0	0	0	0	-0.08	0	c_{2_}	-3.12	13.47	-1.2	0.05	-0.47	-1.9
			e_{3_}	-0.04	-0.01	-0.35	0	0	0	c_{3_}	6.43	-1.2	410.18	-0.32	1.06	-0.21
			d_{1_}	-5.61	-1.06	0.15	-4.53	-24.31	7.37	c_{4_}	0.11	0.05	-0.32	-2.14	0.2	-0.05
			d_{2_}	-4.5	-0.83	0.12	-2.42	-16.84	5.36	c_{5_}	-0.85	-0.47	1.06	0.2	4.83	0.27
			d_{3_}	-5.94	-0.39	-0.74	-0.8	-1.28	13.11	c_{6_}	-3.03	-1.9	-0.21	-0.05	0.27	-1.51
273	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P1 HD View 3D View Crystal Details	7201220
			e_{1_}	0	0	0	0	0	0	c_{1_}	229.41	14.27	15.92	0.69	-1.03	6.14
			e_{2_}	0	0	0	0	0	0	c_{2_}	14.27	24.35	27.45	8.75	-0.04	0.27
			e_{3_}	0	0	0	0	0	0	c_{3_}	15.92	27.45	30.01	9.96	-0.3	0.02
			d_{1_}	-0.01	-0.11	0.1	0.02	0.32	-0.1	c_{4_}	0.69	8.75	9.96	10.58	-0.02	-0.17
			d_{2_}	-0.01	0.35	-0.32	0.03	0.02	-0.08	c_{5_}	-1.03	-0.04	-0.3	-0.02	4.6	3.67
			d_{3_}	-0.02	0.13	-0.07	-0.04	-0.01	-0.19	c_{6_}	6.14	0.27	0.02	-0.17	3.67	5.14
274	Crystal Name: 2-cyanopyrimidine Chemical Formula: C₅H₃N₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7219472
			e_{1_}	0	0	0	0.05	0	0	c_{1_}	14.35	4.9	7.39	0	0	0
			e_{2_}	0	0	0	0	0.03	0	c_{2_}	4.9	27.44	9.48	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	7.39	9.48	12.25	0	0	0
			d_{1_}	0	0	0	9.03	0	0	c_{4_}	0	0	0	5.87	0	0
			d_{2_}	0	0	0	0	7.25	0	c_{5_}	0	0	0	0	4.14	0
			d_{3_}	0	0	0	0	0	-62.64	c_{6_}	0	0	0	0	0	-0.19
275	Crystal Name: 6-Methylnicotinic acid Chemical Formula: C₇H₇NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2231730
			e_{1_}	0	0	0	-0.07	0	-0.05	c_{1_}	21.15	8.49	8.72	0	-1.24	0
			e_{2_}	-0.08	0.3	-0.01	0	0.07	0	c_{2_}	8.49	72.67	20.2	0	-7.99	0
			e_{3_}	0	0	0	0.05	0	-0.09	c_{3_}	8.72	20.2	18.85	0	-2.1	0
			d_{1_}	0	0	0	57.09	0	108.33	c_{4_}	0	0	0	14.71	0	-8.44
			d_{2_}	-3.23	8.75	-5.93	0	24.11	0	c_{5_}	-1.24	-7.99	-2.1	0	5.19	0
			d_{3_}	0	0	0	42.75	0	69.11	c_{6_}	0	0	0	-8.44	0	3.96

Predicted Material Properties Repository and Database (CrystalDFT)

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