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}
633	Crystal Name: (+-)-cis-6-Acetylamino-5-hydroxy-1,3-dioxepane Chemical Formula: C₇H₁₃N₁O₄ H-M Space Group: Pn HD View 3D View Crystal Details	KOYWOK
			e_{1_}	0.03	0.04	0.13	0	0.05	0	c_{1_}	20.05	8.24	12.34	0	3.15	0
			e_{2_}	0	0	0	-0.02	0	0.06	c_{2_}	8.24	25.34	11.42	0	-4.15	0
			e_{3_}	0.1	0.03	0.04	0	0.03	0	c_{3_}	12.34	11.42	24.51	0	4.42	0
			d_{1_}	-3.68	1.26	5.66	0	5.9	0	c_{4_}	0	0	0	9.58	0	-3.66
			d_{2_}	0	0	0	1.56	0	10.73	c_{5_}	3.15	-4.15	4.42	0	7.23	0
			d_{3_}	5.16	1.43	-2.3	0	4.71	0	c_{6_}	0	0	0	-3.66	0	5.97
634	Crystal Name: (+-)-(2S,3S,4S)-4-Hydroxy-3,5-dimethyl-3-n-propyltetrahydropyran-2-one Chemical Formula: C₁₀H₁₈O₃ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	FICNEL
			e_{1_}	0	0	0	0	-0.02	0	c_{1_}	20.72	8.9	6.67	0	0	0
			e_{2_}	0	0	0	-0.04	0	0	c_{2_}	8.9	23.75	8.34	0	0	0
			e_{3_}	0.02	-0.02	-0.05	0	0	0	c_{3_}	6.67	8.34	16.89	0	0	0
			d_{1_}	0	0	0	0	-4.89	0	c_{4_}	0	0	0	2.08	0	0
			d_{2_}	0	0	0	-21.24	0	0	c_{5_}	0	0	0	0	4.64	0
			d_{3_}	2.34	-0.63	-3.64	0	0	0	c_{6_}	0	0	0	0	0	4.93
635	Crystal Name: (+-)-((2R,3S)-3-(Hydroxymethyl)oxiran-2-yl)(phenyl)methanone Chemical Formula: C₁₀H₁₀O₃ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	ESUZAT
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	30.56	17.69	15.57	0	0	0
			e_{2_}	0	0	0	0.06	0	0	c_{2_}	17.69	21.9	12.13	0	0	0
			e_{3_}	-0.09	0.04	0	0	0	0	c_{3_}	15.57	12.13	13.09	0	0	0
			d_{1_}	0	0	0	0	21.8	0	c_{4_}	0	0	0	2.24	0	0
			d_{2_}	0	0	0	24.89	0	0	c_{5_}	0	0	0	0	2.77	0
			d_{3_}	-8.77	7.1	3.63	0	0	0	c_{6_}	0	0	0	0	0	6.25
636	Crystal Name: DL-2-Amino-2-thiazoline-4-carboxylic acid trihydrate Chemical Formula: C₄H₆N₂O₂S₁,₃(H₂O₁) H-M Space Group: P2₁ab HD View 3D View Crystal Details	IMIPID
			e_{1_}	0.08	-0.02	0.06	0	0	0	c_{1_}	21.48	12.91	15.96	0	0	0
			e_{2_}	0	0	0	0	0	-0.02	c_{2_}	12.91	66.54	23.31	0	0	0
			e_{3_}	0	0	0	0	-0.04	0	c_{3_}	15.96	23.31	31.37	0	0	0
			d_{1_}	3.51	-1.44	1.24	0	0	0	c_{4_}	0	0	0	7.1	0	0
			d_{2_}	0	0	0	0	0	-4.86	c_{5_}	0	0	0	0	7.73	0
			d_{3_}	0	0	0	0	-4.7	0	c_{6_}	0	0	0	0	0	4.8
637	Crystal Name: (+-)-malic acid ('oxaloacetic acid',) Chemical Formula: C₄H₆O₅ H-M Space Group: Cm HD View 3D View Crystal Details	DLMALC14
			e_{1_}	-0.02	-0.02	0.03	0	0.06	0	c_{1_}	94.21	7.78	53.03	0	53.92	0
			e_{2_}	0	0	0	0.02	0	0	c_{2_}	7.78	17.09	2.75	0	-1.66	0
			e_{3_}	0.11	0.03	-0.03	0	0.04	0	c_{3_}	53.03	2.75	56.33	0	30.37	0
			d_{1_}	-3.27	0.63	1.58	0	3.66	0	c_{4_}	0	0	0	1.82	0	0.79
			d_{2_}	0	0	0	12.72	0	-7.08	c_{5_}	53.92	-1.66	30.37	0	52.72	0
			d_{3_}	3.73	0.73	-3.47	0	-1.12	0	c_{6_}	0	0	0	0.79	0	2.03
638	Crystal Name: Methyl (+-)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-pyrrole-2-acetate Chemical Formula: C₂₄H₂₅N₁O₇ H-M Space Group: P1 HD View 3D View Crystal Details	OLOHAY
			e_{1_}	-0.01	0	-0.03	-0.01	0.02	-0.01	c_{1_}	17.41	9.69	8.38	-0.71	1.35	-0.29
			e_{2_}	-0.01	-0.07	-0.01	-0.02	0	0	c_{2_}	9.69	20.6	9.15	1.21	-0.54	1.67
			e_{3_}	0.01	0.01	-0.03	-0.01	-0.01	0	c_{3_}	8.38	9.15	20.55	0.58	-1.69	1.96
			d_{1_}	-1.69	1.97	-0.84	-5.38	4.62	-5.31	c_{4_}	-0.71	1.21	0.58	2.03	-0.83	-0.46
			d_{2_}	0.04	-3.41	1.63	-12.02	-2.99	-3.9	c_{5_}	1.35	-0.54	-1.69	-0.83	3.38	-1.2
			d_{3_}	1.2	1.62	-2.3	-10.57	-8.47	-5.65	c_{6_}	-0.29	1.67	1.96	-0.46	-1.2	2.58
639	Crystal Name: (+-)-α-1,2,3-Trimethyl-4-phenyl-4-piperidinol Chemical Formula: C₁₄H₂₁N₁O₁ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	MEPIPA10
			e_{1_}	0	0	0	0	-0.04	0	c_{1_}	16.82	9.06	12.45	0	0	0
			e_{2_}	0	0	0	-0.01	0	0	c_{2_}	9.06	15.11	8.28	0	0	0
			e_{3_}	-0.08	-0.03	0	0	0	0	c_{3_}	12.45	8.28	28.04	0	0	0
			d_{1_}	0	0	0	0	-7.43	0	c_{4_}	0	0	0	4.3	0	0
			d_{2_}	0	0	0	-1.42	0	0	c_{5_}	0	0	0	0	5.56	0
			d_{3_}	-8.15	1.1	3.4	0	0	0	c_{6_}	0	0	0	0	0	4.52
640	Crystal Name: (+-)-cis-4-(2-Cyclohexylethyl)-3-(cyclohexylmethyl)oxetan-2-one Chemical Formula: C₁₈H₃₀O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	KEKTOK
			e_{1_}	0	0	0	-0.04	0	0.04	c_{1_}	14.19	7.94	8.5	0	0.73	0
			e_{2_}	-0.01	-0.04	0.02	0	0.02	0	c_{2_}	7.94	14.09	8.66	0	-1.91	0
			e_{3_}	0	0	0	-0.03	0	-0.01	c_{3_}	8.5	8.66	29.59	0	-0.14	0
			d_{1_}	0	0	0	-7.48	0	10.23	c_{4_}	0	0	0	3.49	0	-0.94
			d_{2_}	0.11	-3.3	1.6	0	4.65	0	c_{5_}	0.73	-1.91	-0.14	0	3.82	0
			d_{3_}	0	0	0	-9.32	0	-5.75	c_{6_}	0	0	0	-0.94	0	3.25
641	Crystal Name: (+-)-2-naphthyl 2-(6H,12H-5,11-methanoindolo[6,5-c][1,5]benzodiazocin-8-yl)-3-methylbenzoate Chemical Formula: C₃₅H₂₇N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	GIPRAZ
			e_{1_}	0	0	0	-0.01	0	-0.02	c_{1_}	15.36	11.73	16.15	0	-0.58	0
			e_{2_}	-0.03	0.04	-0.06	0	0.06	0	c_{2_}	11.73	19.34	11.55	0	-0.01	0
			e_{3_}	0	0	0	-0.02	0	0	c_{3_}	16.15	11.55	20.42	0	-4.49	0
			d_{1_}	0	0	0	-6	0	-19.37	c_{4_}	0	0	0	3.05	0	-0.44
			d_{2_}	52.98	3.23	-55.91	0	-40.97	0	c_{5_}	-0.58	-0.01	-4.49	0	3.81	0
			d_{3_}	0	0	0	-7.59	0	-6.34	c_{6_}	0	0	0	-0.44	0	1.01
642	Crystal Name: bis(DL-Alaninium) hexafluorosilicate dihydrate Chemical Formula: ₂(C₃H₈N₁O₂₁⁺),F₆Si₁₂^-,₂(H₂O₁) H-M Space Group: P2₁ HD View 3D View Crystal Details	DEKYOJ
			e_{1_}	0	0	0	0	0	-0.01	c_{1_}	32.14	15.42	21.29	0	-4.39	0
			e_{2_}	0.05	-0.05	-0.04	0	0.13	0	c_{2_}	15.42	25.82	17.48	0	-2.08	0
			e_{3_}	0	0	0	-0.01	0	0.01	c_{3_}	21.29	17.48	34.21	0	-2.79	0
			d_{1_}	0	0	0	-0.15	0	-0.97	c_{4_}	0	0	0	13.03	0	-4.05
			d_{2_}	6.45	-3.18	-2.49	0	13.13	0	c_{5_}	-4.39	-2.08	-2.79	0	10.87	0
			d_{3_}	0	0	0	-0.3	0	0.56	c_{6_}	0	0	0	-4.05	0	10.59

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