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}
643	Crystal Name: (+-)-(1S,2R,5R,6S)-2-t-Butoxycarbonylamino-bicyclo[3.1.0]hexane-6-carboxylic acid Chemical Formula: C₁₂H₁₉N₁O₄ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	ICUWEK
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	20.46	7.89	9.31	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	7.89	14.3	9.39	0	0	0
			e_{3_}	-0.03	-0.04	-0.07	0	0	0	c_{3_}	9.31	9.39	21.39	0	0	0
			d_{1_}	0	0	0	0	2.62	0	c_{4_}	0	0	0	7.22	0	0
			d_{2_}	0	0	0	0.63	0	0	c_{5_}	0	0	0	0	10.08	0
			d_{3_}	0.44	-0.76	-3.11	0	0	0	c_{6_}	0	0	0	0	0	6.32
644	Crystal Name: (+-)-(1α,4aα,9aβ)-1,3,4,9a-Tetrahydro-2-methyl-2H-1,4a-propanobenzofuro(2,3-c)pyridin-8-ol Chemical Formula: C₁₅H₁₉N₁O₂ H-M Space Group: Pbc2₁ HD View 3D View Crystal Details	CINNAO
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	23.89	7.84	13.01	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	7.84	20.07	6.23	0	0	0
			e_{3_}	-0.01	-0.03	-0.07	0	0	0	c_{3_}	13.01	6.23	28.37	0	0	0
			d_{1_}	0	0	0	0	5.49	0	c_{4_}	0	0	0	5.31	0	0
			d_{2_}	0	0	0	0.12	0	0	c_{5_}	0	0	0	0	10.25	0
			d_{3_}	1.76	-1.34	-3.1	0	0	0	c_{6_}	0	0	0	0	0	4.42
645	Crystal Name: (+-)-cis-7-(4-methoxyphenyl)-2,2-dimethyl-4-oxa-7-azabicyclo[3.2.0]heptane-3,6-dione Chemical Formula: C₁₄H₁₅N₁O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	FIYCOG
			e_{1_}	0	0	0	-0.01	0	-0.01	c_{1_}	18.13	9.81	11.03	0	-0.6	0
			e_{2_}	-0.02	-0.02	0.01	0	-0.02	0	c_{2_}	9.81	21.95	12.61	0	-0.19	0
			e_{3_}	0	0	0	0.05	0	0.02	c_{3_}	11.03	12.61	15.39	0	1.39	0
			d_{1_}	0	0	0	-1.03	0	-1.44	c_{4_}	0	0	0	5.32	0	0.52
			d_{2_}	-4.17	-2.94	6.75	0	-8.42	0	c_{5_}	-0.6	-0.19	1.39	0	3.73	0
			d_{3_}	0	0	0	9.19	0	3.25	c_{6_}	0	0	0	0.52	0	3.98
646	Crystal Name: (+-)-1,8-Di(azetidinyl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione Chemical Formula: C₂₆H₃₂N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	CIPMET
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	15.96	9.18	9.67	0	-0.11	0
			e_{2_}	0	0.04	0	0	-0.02	0	c_{2_}	9.18	22.01	9.71	0	0.28	0
			e_{3_}	0	0	0	-0.02	0	-0.04	c_{3_}	9.67	9.71	17.79	0	0.83	0
			d_{1_}	0	0	0	0.98	0	3.14	c_{4_}	0	0	0	4.78	0	-0.11
			d_{2_}	-1.3	2.4	0.1	0	-10.86	0	c_{5_}	-0.11	0.28	0.83	0	1.76	0
			d_{3_}	0	0	0	-4.95	0	-8.76	c_{6_}	0	0	0	-0.11	0	4.69
647	Crystal Name: (+-)-(2R,7S)-2-Phenyl-7-(trifluoromethyl)cycloheptanone Chemical Formula: C₁₄H₁₅F₃O₁ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	UZOGAS
			e_{1_}	0	0	0	0	-0.01	0	c_{1_}	20.92	11.43	13.32	0	0	0
			e_{2_}	0	0	0	0.04	0	0	c_{2_}	11.43	15.9	10.07	0	0	0
			e_{3_}	0	0	-0.02	0	0	0	c_{3_}	13.32	10.07	17.54	0	0	0
			d_{1_}	0	0	0	0	-1.6	0	c_{4_}	0	0	0	3.46	0	0
			d_{2_}	0	0	0	11.66	0	0	c_{5_}	0	0	0	0	8.75	0
			d_{3_}	0.86	0.96	-2.34	0	0	0	c_{6_}	0	0	0	0	0	3.45
648	Crystal Name: DL-2,2'-Diamino-4,4'-dithiodibutyric acid ('DL-Homocystine',) Chemical Formula: C₈H₁₆N₂O₄S₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	AMTBUA
			e_{1_}	0	0	0	-0.01	0	0.05	c_{1_}	52.35	14.82	16.14	0	-3	0
			e_{2_}	-0.02	0.04	-0.02	0	0	0	c_{2_}	14.82	30.13	19.17	0	-2.09	0
			e_{3_}	0	0	0	0.05	0	-0.02	c_{3_}	16.14	19.17	53.68	0	-5.7	0
			d_{1_}	0	0	0	-1.43	0	9.76	c_{4_}	0	0	0	5.66	0	0.27
			d_{2_}	-0.67	2.17	-0.9	0	0.2	0	c_{5_}	-3	-2.09	-5.7	0	7.79	0
			d_{3_}	0	0	0	9.41	0	-3.42	c_{6_}	0	0	0	0.27	0	5.31
649	Crystal Name: bis[2-hydroxy-2-(4-hydroxyphenyl)-N-methylethan-1-aminium] 2,3-dihydroxybutanedioate ('bis((+-)-synephrine) L-tarataric acid',) Chemical Formula: ₂(C₉H₁₄N₁O₂₁⁺),C₄H₄O₆₂^- H-M Space Group: P1 HD View 3D View Crystal Details	ZOTYOZ
			e_{1_}	0.03	0.03	0.02	0	0.04	0.04	c_{1_}	22.81	14.62	20.14	4.23	0.18	0.57
			e_{2_}	-0.08	-0.07	0	0	-0.04	0.02	c_{2_}	14.62	30.43	17.92	2.8	1.03	-0
			e_{3_}	-0.02	-0.05	-0.05	-0.01	-0.02	-0.02	c_{3_}	20.14	17.92	38.31	11.65	-3.08	-0.04
			d_{1_}	-0.03	-0.21	0.18	5.81	17.86	7.25	c_{4_}	4.23	2.8	11.65	7.81	-3.21	1.41
			d_{2_}	-5.61	-1.9	6.9	-14.42	-16	4.65	c_{5_}	0.18	1.03	-3.08	-3.21	3.86	-0.7
			d_{3_}	1.37	-0.78	-1.66	-1.75	-7.12	-3.13	c_{6_}	0.57	-0	-0.04	1.41	-0.7	6.24
650	Crystal Name: (1'R,2'R,6'S,7'S,9'S*)-(+-)-1'-Methoxy-4',7'-dimethyl-5'-oxodispiro(cyclopropane-1,8'-cis,exo-(10)oxa-tricyclo(5.2.1.02,6)dec-3-ene-9',2''-oxirane) Chemical Formula: C₁₅H₁₈O₄ H-M Space Group: Cc HD View 3D View Crystal Details	PODHEV
			e_{1_}	0.02	-0.03	-0.01	0	-0.01	0	c_{1_}	29.56	10.79	9.87	0	0.68	0
			e_{2_}	0	0	0	0.03	0	0.02	c_{2_}	10.79	17.18	10.24	0	0.19	0
			e_{3_}	0.01	0.01	-0.01	0	0.04	0	c_{3_}	9.87	10.24	26.96	0	-1.42	0
			d_{1_}	1.83	-2.56	-0.16	0	-1.79	0	c_{4_}	0	0	0	4.46	0	-0.33
			d_{2_}	0	0	0	6.92	0	6.97	c_{5_}	0.68	0.19	-1.42	0	6.28	0
			d_{3_}	0.14	0.98	-0.55	0	5.65	0	c_{6_}	0	0	0	-0.33	0	3.66
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

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