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}
573	Crystal Name: Methyl 3,4-anhydro-α-DL-allopyranoside Chemical Formula: C₇H₁₂O₅ H-M Space Group: Cc HD View 3D View Crystal Details	JIJXAB
			e_{1_}	-0.37	-0.25	0.36	0	0.12	0	c_{1_}	3.72	0.83	6.98	0	-3.62	0
			e_{2_}	0	0	0	-0.17	0	0.07	c_{2_}	0.83	1.35	5.7	0	-0.35	0
			e_{3_}	0.05	-0.05	-0.01	0	0.05	0	c_{3_}	6.98	5.7	4.11	0	0.54	0
			d_{1_}	424.07	-546	55.06	0	520.29	0	c_{4_}	0	0	0	-5.44	0	-0.62
			d_{2_}	-0.01	0.03	-0.01	26.52	-0.01	47.43	c_{5_}	-3.62	-0.35	0.54	0	2.74	0
			d_{3_}	302.06	-461.51	78.46	0	343.28	0	c_{6_}	0	0	0	-0.62	0	1.87
574	Crystal Name: Pentamethylene-(R,S)-(+-)-bis(3,3,3-trifluorolactate) Chemical Formula: C₁₁H₁₄F₆O₆ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	CATNOB
			e_{1_}	0	0	0	0	-0.07	0	c_{1_}	18.2	12.14	8.95	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	12.14	13.34	5.1	0	0	0
			e_{3_}	0.11	-0.05	-0.15	0	0	0	c_{3_}	8.95	5.1	8.86	0	0	0
			d_{1_}	0	0	0	0	-13.91	0	c_{4_}	0	0	0	-0.08	0	0
			d_{2_}	0	0	0	-86.31	0	0	c_{5_}	0	0	0	0	4.81	0
			d_{3_}	53.32	-32.84	-51.43	0	0	0	c_{6_}	0	0	0	0	0	1.57
575	Crystal Name: (+-)-Phenyl 3-methyl-2-oxoindolyl-3-carboxylate Chemical Formula: C₁₆H₁₃N₁O₃ H-M Space Group: P3₂ HD View 3D View Crystal Details	JOKKUQ
			e_{1_}	-0.03	0.03	0	0.01	0.01	-0.02	c_{1_}	15.27	11.89	13.11	1.03	-1.98	0
			e_{2_}	-0.02	0.02	0	0.01	-0.01	0.03	c_{2_}	11.89	15.27	13.11	-1.03	1.98	0
			e_{3_}	0.02	0.02	0.02	0	0	0	c_{3_}	13.11	13.11	17.67	0	0	-0
			d_{1_}	-27.18	27.18	0	37.88	-12.32	-47.44	c_{4_}	1.03	-1.03	0	4.18	0	1.98
			d_{2_}	-23.72	23.74	-0.01	-12.32	-37.9	54.39	c_{5_}	-1.98	1.98	0	0	4.18	1.03
			d_{3_}	1.08	1.08	-0.66	0	0	0	c_{6_}	0	0	-0	1.98	1.03	1.69
576	Crystal Name: (+-)-5,6a-Dimethyl-6,6a,7,8,9,9a-hexahydropentaleno(2,1-b)indol-6,7-dione Chemical Formula: C₁₆H₁₅N₁O₂ H-M Space Group: Pc HD View 3D View Crystal Details	WIBLID
			e_{1_}	-0.01	0.02	0.02	0	-0.02	0	c_{1_}	15.87	12.11	13.3	0	2.23	0
			e_{2_}	0	0	0	0.06	0	0.08	c_{2_}	12.11	16.09	14.4	0	0.52	0
			e_{3_}	0.02	-0.03	0.1	0	0.07	0	c_{3_}	13.3	14.4	22.19	0	-0.18	0
			d_{1_}	0.37	2.05	-0.54	0	-13.1	0	c_{4_}	0	0	0	5.62	0	-1.05
			d_{2_}	0	0	0	15.26	0	27.23	c_{5_}	2.23	0.52	-0.18	0	1.71	0
			d_{3_}	-24.61	-8.48	25.42	0	77.4	0	c_{6_}	0	0	0	-1.05	0	3.39
577	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI20
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.18	21.99	18.76	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.99	31.63	10.09	0	0	0
			e_{3_}	0.03	-0.01	0.71	0	0	0	c_{3_}	18.76	10.09	66.69	0	0	0
			d_{1_}	0	0	0	0	5.27	0	c_{4_}	0	0	0	10.13	0	0
			d_{2_}	0	0	0	15.08	0	0	c_{5_}	0	0	0	0	11.52	0
			d_{3_}	-6.6	0.26	12.52	0	0	0	c_{6_}	0	0	0	0	0	10.25
578	Crystal Name: DL-Alanine ('rac-2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI05
			e_{1_}	0	0	0	0	-0.06	0	c_{1_}	26.26	17.57	17.38	0	0	0
			e_{2_}	0	0	0	-0.15	0	0	c_{2_}	17.57	23.24	9.29	0	0	0
			e_{3_}	-0.03	0.02	-0.69	0	0	0	c_{3_}	17.38	9.29	66.23	0	0	0
			d_{1_}	0	0	0	0	-5.63	0	c_{4_}	0	0	0	9.68	0	0
			d_{2_}	0	0	0	-15.21	0	0	c_{5_}	0	0	0	0	10.85	0
			d_{3_}	6.7	0.66	-12.3	0	0	0	c_{6_}	0	0	0	0	0	7.78
579	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI19
			e_{1_}	0	0	0	0	0.07	0	c_{1_}	31.29	21.69	18.85	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.69	31.29	10.04	0	0	0
			e_{3_}	0.03	-0.01	0.71	0	0	0	c_{3_}	18.85	10.04	67.64	0	0	0
			d_{1_}	0	0	0	0	5.83	0	c_{4_}	0	0	0	9.93	0	0
			d_{2_}	0	0	0	15.23	0	0	c_{5_}	0	0	0	0	11.33	0
			d_{3_}	-6.62	0.35	12.22	0	0	0	c_{6_}	0	0	0	0	0	10.27
580	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI16
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	30.87	21	18.81	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21	30	9.92	0	0	0
			e_{3_}	0.03	-0.01	0.71	0	0	0	c_{3_}	18.81	9.92	68.29	0	0	0
			d_{1_}	0	0	0	0	5.55	0	c_{4_}	0	0	0	9.89	0	0
			d_{2_}	0	0	0	14.94	0	0	c_{5_}	0	0	0	0	11.18	0
			d_{3_}	-6.7	0.31	12.13	0	0	0	c_{6_}	0	0	0	0	0	10.05
581	Crystal Name: DL-Alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI01
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	26.06	17.35	17.49	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	17.35	22.98	9.19	0	0	0
			e_{3_}	0.03	-0.02	0.69	0	0	0	c_{3_}	17.49	9.19	67.39	0	0	0
			d_{1_}	0	0	0	0	5.65	0	c_{4_}	0	0	0	9.77	0	0
			d_{2_}	0	0	0	15.16	0	0	c_{5_}	0	0	0	0	11.15	0
			d_{3_}	-6.54	-0.78	12	0	0	0	c_{6_}	0	0	0	0	0	8.39
582	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI17
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.48	21.46	18.22	0	0	0
			e_{2_}	0	0	0	0.16	0	0	c_{2_}	21.46	31.64	9.25	0	0	0
			e_{3_}	0.03	-0.01	0.7	0	0	0	c_{3_}	18.22	9.25	67.32	0	0	0
			d_{1_}	0	0	0	0	5.2	0	c_{4_}	0	0	0	9.61	0	0
			d_{2_}	0	0	0	16.21	0	0	c_{5_}	0	0	0	0	11.35	0
			d_{3_}	-6.01	0.19	11.96	0	0	0	c_{6_}	0	0	0	0	0	10.24

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