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}
603	Crystal Name: (2R')-(+-)-1-((1R,3R,4R,5R)-3-Cyano-4,7,7,-trimethyl-6-oxabicyclo(3.2.1)oct-5-yl)aziridin-2'-carboxamide Chemical Formula: C₁₄H₂₁N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	YELJII
			e_{1_}	0	0	0	0.04	0	0.03	c_{1_}	19.78	4.31	8.43	0	1.46	0
			e_{2_}	-0.02	0.12	0.05	0	0	0	c_{2_}	4.31	13.73	7.48	0	0.8	0
			e_{3_}	0	0	0	0.01	0	0.02	c_{3_}	8.43	7.48	15.35	0	0.81	0
			d_{1_}	0	0	0	8.75	0	6.72	c_{4_}	0	0	0	4.72	0	0.33
			d_{2_}	-3.24	9.48	0.43	0	-1.4	0	c_{5_}	1.46	0.8	0.81	0	4.78	0
			d_{3_}	0	0	0	1.01	0	4.43	c_{6_}	0	0	0	0.33	0	4.42
604	Crystal Name: (+-)-2,6-[1',11'-(3',9'-diaza-4',8'-dioxo-6'-oxaundeca-1,11-diyl)]-cis-1,3,5,7-tetraoxadecalin Chemical Formula: C₁₄H₂₂N₂O₇ H-M Space Group: P2₁ HD View 3D View Crystal Details	INUQEN
			e_{1_}	0	0	0	-0.01	0	-0.01	c_{1_}	18.29	11.61	9.82	0	1.1	0
			e_{2_}	-0.03	0.03	-0.02	0	-0.01	0	c_{2_}	11.61	13.42	9.51	0	-0.34	0
			e_{3_}	0	0	0	-0.03	0	0	c_{3_}	9.82	9.51	29.25	0	0.69	0
			d_{1_}	0	0	0	-2.78	0	-1.77	c_{4_}	0	0	0	4.75	0	0.43
			d_{2_}	-6.99	9.25	-1.43	0	0.89	0	c_{5_}	1.1	-0.34	0.69	0	6.5	0
			d_{3_}	0	0	0	-5.7	0	1.16	c_{6_}	0	0	0	0.43	0	4.95
605	Crystal Name: ammonium 2-acetamido-3-methylpentanoate ('ammonium (2RS,3SR)-2-amino-3-methylpentanoate', 'ammonium DL-alloisoleucinate') Chemical Formula: C₈H₁₄N₁O₃₁^-,H₄N₁₁⁺ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	EROMOP
			e_{1_}	0	0	0	0	-0.01	0	c_{1_}	27.72	14.67	11.47	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	14.67	14.32	9.2	0	0	0
			e_{3_}	0.02	0.04	-0.18	0	0	0	c_{3_}	11.47	9.2	28.32	0	0	0
			d_{1_}	0	0	0	0	-1.97	0	c_{4_}	0	0	0	6.03	0	0
			d_{2_}	0	0	0	-0.4	0	0	c_{5_}	0	0	0	0	6.55	0
			d_{3_}	-0.72	9.81	-9.24	0	0	0	c_{6_}	0	0	0	0	0	5.09
606	Crystal Name: 2-Trifluoromethyl-4-DL-ribolactone Chemical Formula: C₆H₇F₃O₅ H-M Space Group: Cc HD View 3D View Crystal Details	TEXSEU
			e_{1_}	0.07	-0.02	-0.01	0	0.05	0	c_{1_}	24.01	13.46	14.8	0	0.08	0
			e_{2_}	0	0	0	0.05	0	-0.01	c_{2_}	13.46	24.83	15.23	0	-3.79	0
			e_{3_}	0.12	0.15	0.05	0	0	0	c_{3_}	14.8	15.23	19.58	0	-6	0
			d_{1_}	5.72	-1.94	-2.64	0	2.57	0	c_{4_}	0	0	0	7.5	0	-2.6
			d_{2_}	0	0	0	7.07	0	0.95	c_{5_}	0.08	-3.79	-6	0	9.05	0
			d_{3_}	6.1	7.88	-9.04	0	-2.53	0	c_{6_}	0	0	0	-2.6	0	7.08
607	Crystal Name: (+-)-2,3-Dihydro-3-oxo-1H-indeneacetic acid ('(+-)-3-Indanone-1-acetic acid',) Chemical Formula: C₁₁H₁₀O₃ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	NOZYOQ
			e_{1_}	0	0	0	0	0.01	0	c_{1_}	13.51	14.75	8.36	0	0	0
			e_{2_}	0	0	0	-0.04	0	0	c_{2_}	14.75	29.15	9.19	0	0	0
			e_{3_}	-0.01	-0.12	-0.07	0	0	0	c_{3_}	8.36	9.19	12.89	0	0	0
			d_{1_}	0	0	0	0	4.64	0	c_{4_}	0	0	0	2.47	0	0
			d_{2_}	0	0	0	-14.82	0	0	c_{5_}	0	0	0	0	1.66	0
			d_{3_}	14.89	-8.93	-8.98	0	0	0	c_{6_}	0	0	0	0	0	16.81
608	Crystal Name: DL-Tyrosine Chemical Formula: C₉H₁₁N₁O₃ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLTYRS
			e_{1_}	0	0	0	0	-0.08	0	c_{1_}	45.81	20.35	20.47	0	0	0
			e_{2_}	0	0	0	-0.07	0	0	c_{2_}	20.35	21.27	17.1	0	0	0
			e_{3_}	-0.02	-0.03	-0.34	0	0	0	c_{3_}	20.47	17.1	52.38	0	0	0
			d_{1_}	0	0	0	0	-12.82	0	c_{4_}	0	0	0	7.99	0	0
			d_{2_}	0	0	0	-8.35	0	0	c_{5_}	0	0	0	0	6.57	0
			d_{3_}	1.8	3.38	-8.35	0	0	0	c_{6_}	0	0	0	0	0	7.67
609	Crystal Name: DL-Phenylalaninium dihydrogen phosphate Chemical Formula: C₉H₁₂N₁O₂₁⁺,H₂O₄P₁₁^- H-M Space Group: Pc HD View 3D View Crystal Details	QURQUP
			e_{1_}	-0.04	0.04	0.01	0	0.01	0	c_{1_}	23.9	13.04	12.44	0	-1.92	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.04	58.11	15.83	0	0.1	0
			e_{3_}	-0.05	0.02	0.06	0	0.08	0	c_{3_}	12.44	15.83	28.41	0	-5.12	0
			d_{1_}	-2.51	0.77	1.67	0	2.98	0	c_{4_}	0	0	0	4.61	0	0.99
			d_{2_}	0	0	0	1.42	0	-0.33	c_{5_}	-1.92	0.1	-5.12	0	5.59	0
			d_{3_}	-4.29	-0.8	7.9	0	19.61	0	c_{6_}	0	0	0	0.99	0	3.96
610	Crystal Name: (+-)-cis-7-((t-Butyldimethylsiloxy)methyl)-1,4-diphenyl-6,7-dihydro-5H-cyclopenta(d)pyridazin-5-ol Chemical Formula: C₂₆H₃₂N₂O₂Si₁ H-M Space Group: P2₁ HD View 3D View Crystal Details	GIKFOW
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	16.41	10.45	11.33	0	-2.83	0
			e_{2_}	0	0.08	0	0	0	0	c_{2_}	10.45	20.41	11.59	0	-0.3	0
			e_{3_}	0	0	0	0.04	0	-0.02	c_{3_}	11.33	11.59	19.9	0	-3.7	0
			d_{1_}	0	0	0	-0.34	0	1.55	c_{4_}	0	0	0	4.53	0	-0.7
			d_{2_}	-3.51	7.71	-3.36	0	-5.93	0	c_{5_}	-2.83	-0.3	-3.7	0	3.85	0
			d_{3_}	0	0	0	8.69	0	-1.55	c_{6_}	0	0	0	-0.7	0	5.78
611	Crystal Name: (+-)-trans-(3aS,6R,7S,7aS)-6,7-Dimethyl-3,3a,6,7,7a-pentahydroisobenzofuranone Chemical Formula: C₁₀H₁₄O₂ H-M Space Group: Cc HD View 3D View Crystal Details	XAQFAX
			e_{1_}	0.02	0	0.03	0	-0.1	0	c_{1_}	17.24	11.21	8.2	0	-2.01	0
			e_{2_}	0	0	0	-0.01	0	-0.01	c_{2_}	11.21	13.82	7.65	0	-0.05	0
			e_{3_}	0	0.04	-0.14	0	0	0	c_{3_}	8.2	7.65	29.18	0	2.51	0
			d_{1_}	-5.84	2.17	4.67	0	-30.68	0	c_{4_}	0	0	0	5.16	0	-1.46
			d_{2_}	0	0	0	-2.51	0	-3.23	c_{5_}	-2.01	-0.05	2.51	0	4.09	0
			d_{3_}	-0.99	7.79	-6.98	0	4.1	0	c_{6_}	0	0	0	-1.46	0	5.33
612	Crystal Name: (+-)-3-exo,6-exo-dibromo-5-endo-hydroxy-3-endo-nitrobicyclo[2.2.1]heptane-2-exo-carbonitrile Chemical Formula: C₈H₈Br₂N₂O₃ H-M Space Group: Cc HD View 3D View Crystal Details	BRHPCN01
			e_{1_}	-0.05	0.03	-0.02	0	-0.06	0	c_{1_}	19.93	14.15	9.94	0	-2	0
			e_{2_}	0	0	0	-0.07	0	0.12	c_{2_}	14.15	33.71	11.14	0	1.3	0
			e_{3_}	0.02	-0.02	-0.04	0	-0.02	0	c_{3_}	9.94	11.14	19.41	0	-0.46	0
			d_{1_}	-6.97	4.72	-0.72	0	-15.88	0	c_{4_}	0	0	0	5.12	0	1.17
			d_{2_}	0	0	0	-16.82	0	16.96	c_{5_}	-2	1.3	-0.46	0	5.25	0
			d_{3_}	3.32	-0.84	-3.35	0	-1.91	0	c_{6_}	0	0	0	1.17	0	8.09

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