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}
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

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