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}
651	Crystal Name: DL-Mannitol ('DrugBank: DB00742',) Chemical Formula: C₆H₁₄O₆ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLMANT
			e_{1_}	0	0	0	0	-0.07	0	c_{1_}	30.92	20.26	13.53	0	0	0
			e_{2_}	0	0	0	-0.08	0	0	c_{2_}	20.26	53.78	21.78	0	0	0
			e_{3_}	-0.2	-0.22	-0.18	0	0	0	c_{3_}	13.53	21.78	48.81	0	0	0
			d_{1_}	0	0	0	0	-5.42	0	c_{4_}	0	0	0	12.57	0	0
			d_{2_}	0	0	0	-6.18	0	0	c_{5_}	0	0	0	0	13.23	0
			d_{3_}	-4.76	-1.56	-1.77	0	0	0	c_{6_}	0	0	0	0	0	5.3
652	Crystal Name: pentane-1,2,3,4,5-pentol ('DL-Arabinitol',) Chemical Formula: C₅H₁₂O₅ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	ARABOL
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	27.16	17.12	10.25	0	0	0
			e_{2_}	0	0	0	-0.01	0	0	c_{2_}	17.12	41.23	12.06	0	0	0
			e_{3_}	0.2	-0.05	-0.02	0	0	0	c_{3_}	10.25	12.06	39.24	0	0	0
			d_{1_}	0	0	0	0	1.71	0	c_{4_}	0	0	0	9.39	0	0
			d_{2_}	0	0	0	-0.77	0	0	c_{5_}	0	0	0	0	11.69	0
			d_{3_}	11.16	-5.23	-1.7	0	0	0	c_{6_}	0	0	0	0	0	6.88
653	Crystal Name: DL-2-Hydroxyphenylalanine ('DL-o-Tyrosine',) Chemical Formula: C₉H₁₁N₁O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	DTYROS
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	22.35	11.37	11.23	0	2.03	0
			e_{2_}	0	-0.02	0	0	0	0	c_{2_}	11.37	16.29	9.77	0	-0.94	0
			e_{3_}	0	0	0	0.01	0	0.02	c_{3_}	11.23	9.77	46.32	0	-2.24	0
			d_{1_}	0	0	0	2.82	0	-0.98	c_{4_}	0	0	0	5.31	0	1.14
			d_{2_}	0.69	-1.64	0.09	0	-0.32	0	c_{5_}	2.03	-0.94	-2.24	0	4.41	0
			d_{3_}	0	0	0	0.19	0	4.27	c_{6_}	0	0	0	1.14	0	3.68
654	Crystal Name: (+-)-trans-(3aS,6R,7R,7aS)-6,7-Dimethyl-3,3a,6,7,7a-pentahydroisobenzofuranone Chemical Formula: C₁₀H₁₄O₂ H-M Space Group: Cc HD View 3D View Crystal Details	XAVQOB
			e_{1_}	-0.04	0.01	-0.05	0	0.06	0	c_{1_}	21.07	6.83	11.51	0	-0.81	0
			e_{2_}	0	0	0	0.04	0	-0.11	c_{2_}	6.83	25.71	7.08	0	0.25	0
			e_{3_}	0.06	0.02	0.02	0	-0.04	0	c_{3_}	11.51	7.08	20.73	0	-2.24	0
			d_{1_}	-1.12	1.08	-1.41	0	8.55	0	c_{4_}	0	0	0	4.54	0	-0.86
			d_{2_}	0	0	0	4.17	0	-29.19	c_{5_}	-0.81	0.25	-2.24	0	6.82	0
			d_{3_}	3.16	0.21	-1.45	0	-6.27	0	c_{6_}	0	0	0	-0.86	0	3.51
655	Crystal Name: (+-)-(R,R)-7-Chloro-2-(α-hydroxybenzyl)heptanenitrile Chemical Formula: C₁₄H₁₈Cl₁N₁O₁ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	BASZOL
			e_{1_}	0	0	0	0	-0.04	0	c_{1_}	15.64	10.72	8.63	0	0	0
			e_{2_}	0	0	0	-0.05	0	0	c_{2_}	10.72	12.79	10.44	0	0	0
			e_{3_}	-0.02	-0.02	-0.03	0	0	0	c_{3_}	8.63	10.44	17.81	0	0	0
			d_{1_}	0	0	0	0	-6.52	0	c_{4_}	0	0	0	6.85	0	0
			d_{2_}	0	0	0	-7.7	0	0	c_{5_}	0	0	0	0	5.77	0
			d_{3_}	0.53	-1.17	-1.28	0	0	0	c_{6_}	0	0	0	0	0	4.45
656	Crystal Name: N-Benzoyl-DL-alanine ethyl dithioester Chemical Formula: C₁₂H₁₅N₁O₁S₂ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	CITPEA10
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	18.38	8.74	10.3	0	0	0
			e_{2_}	0	0	0	-0.02	0	0	c_{2_}	8.74	17.71	13.43	0	0	0
			e_{3_}	-0.01	0.01	-0.01	0	0	0	c_{3_}	10.3	13.43	18.02	0	0	0
			d_{1_}	0	0	0	0	5.92	0	c_{4_}	0	0	0	4.14	0	0
			d_{2_}	0	0	0	-3.9	0	0	c_{5_}	0	0	0	0	4.54	0
			d_{3_}	-0.46	1.35	-1.06	0	0	0	c_{6_}	0	0	0	0	0	3.16
657	Crystal Name: (+-)-2-(Nα,Nβ-Diacetylhydrazino)-N-methyl-isovaleramide Chemical Formula: C₁₀H₁₉N₃O₃ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	KEFSOD
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	23.71	10.87	11.74	0	0	0
			e_{2_}	0	0	0	0.03	0	0	c_{2_}	10.87	15.73	15.62	0	0	0
			e_{3_}	0.04	0.02	0.04	0	0	0	c_{3_}	11.74	15.62	26.24	0	0	0
			d_{1_}	0	0	0	0	6.52	0	c_{4_}	0	0	0	5.16	0	0
			d_{2_}	0	0	0	5.88	0	0	c_{5_}	0	0	0	0	4.23	0
			d_{3_}	1.09	-0.3	1.06	0	0	0	c_{6_}	0	0	0	0	0	3.64
658	Crystal Name: (+-)-Nipecotic acid Chemical Formula: C₆H₁₁N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	NIPCOT
			e_{1_}	0	0	0	0	-0.07	0	c_{1_}	27.25	9.38	14.38	0	0	0
			e_{2_}	0	0	0	-0.01	0	0	c_{2_}	9.38	18.85	10.73	0	0	0
			e_{3_}	-0.03	0.01	-0.03	0	0	0	c_{3_}	14.38	10.73	31.2	0	0	0
			d_{1_}	0	0	0	0	-5.46	0	c_{4_}	0	0	0	7.45	0	0
			d_{2_}	0	0	0	-1.12	0	0	c_{5_}	0	0	0	0	12.71	0
			d_{3_}	-1.15	1.6	-0.93	0	0	0	c_{6_}	0	0	0	0	0	4.97
659	Crystal Name: (+-)-11,12-bis(Benzenesulfonyl)-3-bromo-8,10,11,12,12a,13-hexahydro-7-oxabenzo[5,6]cyclohepta[1,2-a]naphthalene Chemical Formula: C₃₀H₂₅Br₁O₅S₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	TETYIB
			e_{1_}	0	0	0	0	0	0.02	c_{1_}	20.49	10.96	14.49	0	3.43	0
			e_{2_}	-0.01	0	0.04	0	-0.01	0	c_{2_}	10.96	14.04	11.06	0	1.44	0
			e_{3_}	0	0	0	-0.01	0	0.01	c_{3_}	14.49	11.06	21.75	0	0.41	0
			d_{1_}	0	0	0	-2.03	0	22.71	c_{4_}	0	0	0	3.59	0	0.52
			d_{2_}	-2.78	-0.92	4.01	0	-0.62	0	c_{5_}	3.43	1.44	0.41	0	4.65	0
			d_{3_}	0	0	0	-3.26	0	9.11	c_{6_}	0	0	0	0.52	0	0.86
660	Crystal Name: DL-2-Amino-4-pentenoic acid ('DL-Allylglycine',) Chemical Formula: C₅H₉N₁O₂ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	XADTUR
			e_{1_}	0	0	0	0	0	0	c_{1_}	40.97	19.99	12.04	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	19.99	35.54	13.48	0	0	0
			e_{3_}	-0.02	0	-0.02	0	0	0	c_{3_}	12.04	13.48	21.7	0	0	0
			d_{1_}	0	0	0	0	0.01	0	c_{4_}	0	0	0	5.21	0	0
			d_{2_}	0	0	0	2.06	0	0	c_{5_}	0	0	0	0	5.01	0
			d_{3_}	-0.57	0.8	-0.91	0	0	0	c_{6_}	0	0	0	0	0	6.37
661	Crystal Name: DL-Threoninium trichloroacetate Chemical Formula: C₄H₁₀N₁O₃₁⁺,C₂Cl₃O₂₁^- H-M Space Group: P2₁ HD View 3D View Crystal Details	IYEBIX
			e_{1_}	0	0	0	0	0	0	c_{1_}	37.25	7.72	16.47	0	1.49	0
			e_{2_}	-0.1	-0.01	0.01	0	0.01	0	c_{2_}	7.72	12.03	7.73	0	-2.25	0
			e_{3_}	0	0	0	-0.02	0	0.01	c_{3_}	16.47	7.73	17.37	0	-0.05	0
			d_{1_}	0	0	0	0	0	0.95	c_{4_}	0	0	0	5.67	0	-0.69
			d_{2_}	-5.72	0.81	5.75	0	10.36	0	c_{5_}	1.49	-2.25	-0.05	0	1.86	0
			d_{3_}	0	0	0	-2.93	0	1.62	c_{6_}	0	0	0	-0.69	0	4.34
662	Crystal Name: 3,6-Anhydro-1-bromo-1-deoxy-DL-galactitol Chemical Formula: C₆H₁₁Br₁O₄ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	BUDWOM
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	23.26	13.29	17.01	0	0	0
			e_{2_}	0	0	0	-0.02	0	0	c_{2_}	13.29	23.19	12.01	0	0	0
			e_{3_}	0.03	-0.01	0.04	0	0	0	c_{3_}	17.01	12.01	35.02	0	0	0
			d_{1_}	0	0	0	0	1.14	0	c_{4_}	0	0	0	8.78	0	0
			d_{2_}	0	0	0	-2.27	0	0	c_{5_}	0	0	0	0	14.7	0
			d_{3_}	1.94	-1.95	0.76	0	0	0	c_{6_}	0	0	0	0	0	8.99
663	Crystal Name: DL-Propranolol hydrofluoride ('rac-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol hydrofluoride',) Chemical Formula: C₁₆H₂₂N₁O₂₁⁺,F₁₁^- H-M Space Group: P2₁ HD View 3D View Crystal Details	FEHXEW
			e_{1_}	0	0	0	0.04	0	0.07	c_{1_}	23.17	12.72	17.17	0	-4.46	0
			e_{2_}	0.01	0.01	-0.04	0	0.02	0	c_{2_}	12.72	22.24	12.67	0	2.91	0
			e_{3_}	0	0	0	0.03	0	0	c_{3_}	17.17	12.67	20.56	0	-3.26	0
			d_{1_}	0	0	0	6	0	16.06	c_{4_}	0	0	0	4.32	0	0.68
			d_{2_}	4.78	0.64	-5.84	0	1.9	0	c_{5_}	-4.46	2.91	-3.26	0	10.18	0
			d_{3_}	0	0	0	7.75	0	-2.11	c_{6_}	0	0	0	0.68	0	4.31
664	Crystal Name: (4R)-(+-)-4-((1R)-1,2-Dihydroxyethyl)-2,3-dihydroxy-2-cyclopenten-1-one ('rac-Carbaisoascorbic acid',) Chemical Formula: C₇H₁₀O₅ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	SUPVOO
			e_{1_}	0	0	0	0	0.11	0	c_{1_}	38.26	16.9	13.21	0	0	0
			e_{2_}	0	0	0	-0.02	0	0	c_{2_}	16.9	48.47	20.35	0	0	0
			e_{3_}	-0.05	-0.1	-0.06	0	0	0	c_{3_}	13.21	20.35	39.13	0	0	0
			d_{1_}	0	0	0	0	12.19	0	c_{4_}	0	0	0	11.83	0	0
			d_{2_}	0	0	0	-1.34	0	0	c_{5_}	0	0	0	0	8.79	0
			d_{3_}	-0.32	-1.79	-0.5	0	0	0	c_{6_}	0	0	0	0	0	11.23
665	Crystal Name: (+-)-(1R,2S,3aS,5R,6S,7aS)-Perhydro-1,2,5,6-indenetetrol Chemical Formula: C₉H₁₆O₄ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	CERMUH
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	26.25	13.36	20.57	0	0	0
			e_{2_}	0	0	0	0.02	0	0	c_{2_}	13.36	32.21	19.12	0	0	0
			e_{3_}	-0.01	0.01	0.02	0	0	0	c_{3_}	20.57	19.12	65.51	0	0	0
			d_{1_}	0	0	0	0	3.71	0	c_{4_}	0	0	0	4.65	0	0
			d_{2_}	0	0	0	3.38	0	0	c_{5_}	0	0	0	0	9.03	0
			d_{3_}	-0.99	0.41	0.49	0	0	0	c_{6_}	0	0	0	0	0	5.68
666	Crystal Name: 2-amino-5-{[amino(iminio)methyl]amino}pentanoate ('DL-Arginine',) Chemical Formula: C₆H₁₄N₄O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	GESTOQ
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	25.51	18.99	15.92	0	0	0
			e_{2_}	0	0	0	-0.01	0	0	c_{2_}	18.99	21.5	10.51	0	0	0
			e_{3_}	-0.03	-0.03	-0.03	0	0	0	c_{3_}	15.92	10.51	36.18	0	0	0
			d_{1_}	0	0	0	0	7.78	0	c_{4_}	0	0	0	1.83	0	0
			d_{2_}	0	0	0	-6.29	0	0	c_{5_}	0	0	0	0	2.95	0
			d_{3_}	-0.73	-0.52	-0.38	0	0	0	c_{6_}	0	0	0	0	0	11.27
667	Crystal Name: (+-)-1-Methyl-2-oxaspiro(bicyclo(2.2.1)heptane-7,1'-cyclopentane)-2',3-dione Chemical Formula: C₁₁H₁₄O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	JOHKIB
			e_{1_}	0	0	0	-0.07	0	0.05	c_{1_}	25.8	12.53	11.6	0	0.94	0
			e_{2_}	-0.01	0	-0.01	0	0.02	0	c_{2_}	12.53	27.01	10.45	0	1.01	0
			e_{3_}	0	0	0	-0.01	0	-0.03	c_{3_}	11.6	10.45	21.73	0	-3.34	0
			d_{1_}	0	0	0	-15.33	0	11.59	c_{4_}	0	0	0	5.77	0	1.2
			d_{2_}	-1.09	0.36	0.56	0	2.98	0	c_{5_}	0.94	1.01	-3.34	0	6.88	0
			d_{3_}	0	0	0	-0.96	0	-3.99	c_{6_}	0	0	0	1.2	0	5.98
668	Crystal Name: (+-)-5-fluoro-2-naphthyl 2-(6H,12H-5,11-methanoindolo[6,5-c][1,5]benzodiazocin-8-yl)-3-methylbenzoate Chemical Formula: C₃₅H₂₆F₁N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	GIPQUS
			e_{1_}	0	0	0	0	0	-0.02	c_{1_}	17.76	10.9	17.13	0	-3.18	0
			e_{2_}	-0.02	0	0.01	0	0	0	c_{2_}	10.9	17.1	10.85	0	0.09	0
			e_{3_}	0	0	0	-0.01	0	0.02	c_{3_}	17.13	10.85	22.05	0	-6.13	0
			d_{1_}	0	0	0	5.7	0	10.79	c_{4_}	0	0	0	2.56	0	-1.45
			d_{2_}	-5.62	-0.13	5.71	0	3.74	0	c_{5_}	-3.18	0.09	-6.13	0	4.81	0
			d_{3_}	0	0	0	-8.99	0	-6.69	c_{6_}	0	0	0	-1.45	0	-1.07
669	Crystal Name: (+-)-endo-1,2,3,4-tetrahydro-1,4-methanophenazin-2-yl acetate Chemical Formula: C₁₅H₁₄N₂O₂ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	UFANOF
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	9.95	9.36	8.34	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	9.36	15.62	5.77	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	8.34	5.77	8.24	0	0	0
			d_{1_}	0	0	0	6.06	0	0	c_{4_}	0	0	0	2.79	0	0
			d_{2_}	0.04	-0.01	-0.03	0	1.91	0	c_{5_}	0	0	0	0	3.67	0
			d_{3_}	0	0	0	0	0	0.1	c_{6_}	0	0	0	0	0	3.21
670	Crystal Name: (+-)-2-(2,3-Dioxabicyclo[2.2.2]oct-7-en-5-yl)-1H-isoindole-1,3(2H)-dione ('N-(8,9-Dioxabicyclo[2.2.2]oct-5-en-2-yl)phthalimide',) Chemical Formula: C₁₄H₁₁N₁O₄ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	BADKOI
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	18.13	12.85	15.3	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	12.85	15.64	14.93	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	15.3	14.93	18.16	0	0	0
			d_{1_}	0	0	0	1.35	0	0	c_{4_}	0	0	0	5.27	0	0
			d_{2_}	0	0	0.01	0	0.36	0	c_{5_}	0	0	0	0	6.76	0
			d_{3_}	0	0	-0.01	0	0	1.13	c_{6_}	0	0	0	0	0	3.56
671	Crystal Name: 1-(1,3-Benzodioxol-5-yl)-N-ethyl-1-oxopropan-2-aminium chloride ('Ethylone hydrochloride', '(+-)-2-Ethylammonio-1-(3,4-methylenedioxyphenyl)propane-1-one chloride') Chemical Formula: C₁₂H₁₆N₁O₃₁⁺,Cl₁₁^- H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	GUBJOE01
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	18.4	11.81	12.8	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	11.81	18	20.95	0	0	0
			e_{3_}	0	0	0	0	0	-0.06	c_{3_}	12.8	20.95	40.94	0	0	0
			d_{1_}	0	0	0	-3.51	0	0	c_{4_}	0	0	0	8.99	0	0
			d_{2_}	0	0	0	0	-0.92	0	c_{5_}	0	0	0	0	2.44	0
			d_{3_}	0	0	0	0	0	-29.02	c_{6_}	0	0	0	0	0	2.22
672	Crystal Name: (+-)-trans-2-Methyl-5-phenylpyrrolidinium chloride Chemical Formula: C₁₁H₁₆N₁₁⁺,Cl₁₁^- H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	WEDYAG01
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	17.25	11.01	11.78	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	11.01	19.18	9.69	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	11.78	9.69	11.68	0	0	0
			d_{1_}	0	0	0	-3.54	0	0	c_{4_}	0	0	0	2.3	0	0
			d_{2_}	0	0	0	0	-2.48	0	c_{5_}	0	0	0	0	2.33	0
			d_{3_}	0	0	0	0	0	-6.98	c_{6_}	0	0	0	0	0	4.68
673	Crystal Name: (+-)-(7aR,10aR)-7a-Methyl-7a,10a-dihydrofuro[3,2-b]naphtho[1,2-d]furan-9(8H)-one Chemical Formula: C₁₅H₁₂O₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	FOLQUT
			e_{1_}	0	0	0	0.03	0	0	c_{1_}	18.12	11.4	12.1	0	0	0
			e_{2_}	0	0	0	0	0.02	0	c_{2_}	11.4	19.24	13.45	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	12.1	13.45	18.91	0	0	0
			d_{1_}	0	0	0	17.43	0	0	c_{4_}	0	0	0	1.94	0	0
			d_{2_}	0	0	0	0	5.47	0	c_{5_}	0	0	0	0	3.99	0
			d_{3_}	0	0	0	0	0	3.92	c_{6_}	0	0	0	0	0	2.63
674	Crystal Name: (+-)-endo-3-Methylene-2-(phenylsulfonyl)bicyclo(2.2.1)hept-5-ene Chemical Formula: C₁₄H₁₄O₂S₁ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	GOMGUK
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	20.02	9.7	13.09	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	9.7	16.47	9.43	0	0	0
			e_{3_}	0	0	0	0	0	0.03	c_{3_}	13.09	9.43	14.8	0	0	0
			d_{1_}	0	0	0	3.29	0	0	c_{4_}	0	0	0	2.74	0	0
			d_{2_}	0	0	0	0	-1.05	0	c_{5_}	0	0	0	0	5.82	0
			d_{3_}	0	0	0	0	0	5.98	c_{6_}	0	0	0	0	0	5.21
675	Crystal Name: rac-(+-)-4-O-Methanesulfonyl-myo-inositol 1,3,5-orthoformate Chemical Formula: C₈H₁₂O₈S₁ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	LABXES
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	22.94	9.9	15.57	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	9.9	20.98	14.91	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	15.57	14.91	33.6	0	0	0
			d_{1_}	0	0	0	-1.62	0	0	c_{4_}	0	0	0	15.86	0	0
			d_{2_}	0	0	0	0	-0.48	0	c_{5_}	0	0	0	0	13.58	0
			d_{3_}	0	0	0	0	0	0.96	c_{6_}	0	0	0	0	0	7.81

Predicted Material Properties Repository and Database (CrystalDFT)

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