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}
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
583	Crystal Name: DL-Alanine ('2-aminopropanoic acid',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI04
			e_{1_}	0	0	0	0	-0.06	0	c_{1_}	27.89	19.85	18.33	0	0	0
			e_{2_}	0	0	0	-0.15	0	0	c_{2_}	19.85	27.93	11.28	0	0	0
			e_{3_}	-0.03	0.01	-0.69	0	0	0	c_{3_}	18.33	11.28	68.8	0	0	0
			d_{1_}	0	0	0	0	-5.21	0	c_{4_}	0	0	0	9.45	0	0
			d_{2_}	0	0	0	-15.84	0	0	c_{5_}	0	0	0	0	10.82	0
			d_{3_}	5.82	1.09	-11.71	0	0	0	c_{6_}	0	0	0	0	0	8.47
584	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI10
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	26.87	18.32	17.41	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	18.32	23.67	9.2	0	0	0
			e_{3_}	0.03	-0.02	0.68	0	0	0	c_{3_}	17.41	9.2	67.9	0	0	0
			d_{1_}	0	0	0	0	5.73	0	c_{4_}	0	0	0	9.39	0	0
			d_{2_}	0	0	0	16.36	0	0	c_{5_}	0	0	0	0	10.99	0
			d_{3_}	-6.47	-0.2	11.69	0	0	0	c_{6_}	0	0	0	0	0	8.35
585	Crystal Name: DL-Histidine acetic acid solvate dihydrate Chemical Formula: C₆H₉N₃O₂,C₂H₄O₂,₂(H₂O₁) H-M Space Group: P1 HD View 3D View Crystal Details	MENFIX
			e_{1_}	-0.04	0.05	-0.08	-0.01	-0.02	0	c_{1_}	10.52	6.5	8.68	1.67	0.16	2.57
			e_{2_}	-0.02	-0.06	-0.17	-0.03	-0.02	0.03	c_{2_}	6.5	8.79	10.44	1.79	1.59	1.42
			e_{3_}	0.03	0.09	-0.15	0.11	-0.12	0	c_{3_}	8.68	10.44	37.51	5.33	8.35	1.06
			d_{1_}	-11.68	19.94	-4.54	0.91	-2.19	-2.68	c_{4_}	1.67	1.79	5.33	7.91	1.06	2.87
			d_{2_}	13.45	-6.18	-11.92	2.21	26.91	-8.66	c_{5_}	0.16	1.59	8.35	1.06	3.44	0.35
			d_{3_}	-23.94	27	7.08	12.28	-68.16	12.99	c_{6_}	2.57	1.42	1.06	2.87	0.35	0.07
586	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI11
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	28.54	19.72	17.74	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	19.72	26.85	9.39	0	0	0
			e_{3_}	0.03	-0.01	0.69	0	0	0	c_{3_}	17.74	9.39	68.73	0	0	0
			d_{1_}	0	0	0	0	5.68	0	c_{4_}	0	0	0	9.53	0	0
			d_{2_}	0	0	0	15.67	0	0	c_{5_}	0	0	0	0	11.09	0
			d_{3_}	-6.35	0.05	11.63	0	0	0	c_{6_}	0	0	0	0	0	9.15
587	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI13
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.01	21.17	18.13	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.17	30.78	9.22	0	0	0
			e_{3_}	0.04	-0.01	0.69	0	0	0	c_{3_}	18.13	9.22	68.52	0	0	0
			d_{1_}	0	0	0	0	5.14	0	c_{4_}	0	0	0	9.64	0	0
			d_{2_}	0	0	0	15.73	0	0	c_{5_}	0	0	0	0	11.16	0
			d_{3_}	-5.73	0.16	11.56	0	0	0	c_{6_}	0	0	0	0	0	9.94
588	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI15
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.36	21.4	18.16	0	0	0
			e_{2_}	0	0	0	0.16	0	0	c_{2_}	21.4	30.82	9.32	0	0	0
			e_{3_}	0.04	-0.01	0.69	0	0	0	c_{3_}	18.16	9.32	68.48	0	0	0
			d_{1_}	0	0	0	0	5.36	0	c_{4_}	0	0	0	9.45	0	0
			d_{2_}	0	0	0	16.53	0	0	c_{5_}	0	0	0	0	11.14	0
			d_{3_}	-5.55	0.08	11.5	0	0	0	c_{6_}	0	0	0	0	0	10.03
589	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI09
			e_{1_}	0	0	0	0	0.07	0	c_{1_}	26.18	16.87	17.22	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	16.87	20.73	8.97	0	0	0
			e_{3_}	0.02	-0.02	0.67	0	0	0	c_{3_}	17.22	8.97	67.97	0	0	0
			d_{1_}	0	0	0	0	6.11	0	c_{4_}	0	0	0	9.47	0	0
			d_{2_}	0	0	0	15.99	0	0	c_{5_}	0	0	0	0	10.85	0
			d_{3_}	-5.86	-1.14	11.47	0	0	0	c_{6_}	0	0	0	0	0	7.73
590	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI12
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	29.99	20.48	17.81	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	20.48	29.17	9.01	0	0	0
			e_{3_}	0.03	-0.01	0.68	0	0	0	c_{3_}	17.81	9.01	68.89	0	0	0
			d_{1_}	0	0	0	0	5.28	0	c_{4_}	0	0	0	9.58	0	0
			d_{2_}	0	0	0	15.6	0	0	c_{5_}	0	0	0	0	11.08	0
			d_{3_}	-5.99	0.23	11.46	0	0	0	c_{6_}	0	0	0	0	0	9.73
591	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI14
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.42	21.38	18.27	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.38	30.84	9.25	0	0	0
			e_{3_}	0.03	-0.01	0.69	0	0	0	c_{3_}	18.27	9.25	69.04	0	0	0
			d_{1_}	0	0	0	0	5.32	0	c_{4_}	0	0	0	9.55	0	0
			d_{2_}	0	0	0	16	0	0	c_{5_}	0	0	0	0	11.12	0
			d_{3_}	-5.6	0.12	11.39	0	0	0	c_{6_}	0	0	0	0	0	10.03
592	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI18
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	32.57	21.9	18.09	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.9	33.27	9.01	0	0	0
			e_{3_}	0.03	-0.01	0.68	0	0	0	c_{3_}	18.09	9.01	69.11	0	0	0
			d_{1_}	0	0	0	0	4.99	0	c_{4_}	0	0	0	9.56	0	0
			d_{2_}	0	0	0	16.01	0	0	c_{5_}	0	0	0	0	11.21	0
			d_{3_}	-5.37	0.14	11.27	0	0	0	c_{6_}	0	0	0	0	0	10.77
593	Crystal Name: DL-alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: P2₁cn HD View 3D View Crystal Details	DLALNI07
			e_{1_}	-0.68	0.02	-0.02	0	0	0	c_{1_}	70.13	11.61	17.97	0	0	0
			e_{2_}	0	0	0	0	0	-0.15	c_{2_}	11.61	26.5	20.4	0	0	0
			e_{3_}	0	0	0	0	-0.07	0	c_{3_}	17.97	20.4	28.04	0	0	0
			d_{1_}	-11.26	1.45	5.31	0	0	0	c_{4_}	0	0	0	7.97	0	0
			d_{2_}	0	0	0	0	0	-15.9	c_{5_}	0	0	0	0	10.77	0
			d_{3_}	0	0	0	0	-6.05	0	c_{6_}	0	0	0	0	0	9.38
594	Crystal Name: (3β,3aβ,7β,8aα)-(+-)-6,6-(Ethylenedioxy)-3,8,8-trimethyl-1,2,3,3a,4,5,6,7,8,8a-decahydro-3a,7-(methano)azulen-2-one Chemical Formula: C₁₆H₂₄O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	TIJWIS
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	21.86	11.95	12.92	0	3.54	0
			e_{2_}	0.02	-0.02	0.02	0	-0.04	0	c_{2_}	11.95	17.17	12.13	0	-1.48	0
			e_{3_}	0	0	0	0.01	0	-0.02	c_{3_}	12.92	12.13	21.43	0	3.36	0
			d_{1_}	0	0	0	-1.3	0	0.3	c_{4_}	0	0	0	7.99	0	0.07
			d_{2_}	5.71	-11.23	6.79	0	-17.46	0	c_{5_}	3.54	-1.48	3.36	0	5.82	0
			d_{3_}	0	0	0	1.82	0	-2.65	c_{6_}	0	0	0	0.07	0	6.49
595	Crystal Name: DL-alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: P2₁cn HD View 3D View Crystal Details	DLALNI06
			e_{1_}	-0.68	0.02	-0.02	0	0	0	c_{1_}	70.55	11.59	17.96	0	0	0
			e_{2_}	0	0	0	0	0	-0.15	c_{2_}	11.59	27.16	20.61	0	0	0
			e_{3_}	0	0	0	0	-0.06	0	c_{3_}	17.96	20.61	28.39	0	0	0
			d_{1_}	-11.23	1.6	5.08	0	0	0	c_{4_}	0	0	0	8.07	0	0
			d_{2_}	0	0	0	0	0	-16.11	c_{5_}	0	0	0	0	10.77	0
			d_{3_}	0	0	0	0	-5.8	0	c_{6_}	0	0	0	0	0	9.37
596	Crystal Name: DL-alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: P2₁cn HD View 3D View Crystal Details	DLALNI08
			e_{1_}	-0.65	0.02	-0.02	0	0	0	c_{1_}	70.28	11.53	17.44	0	0	0
			e_{2_}	0	0	0	0	0	-0.15	c_{2_}	11.53	23.47	18.93	0	0	0
			e_{3_}	0	0	0	0	-0.06	0	c_{3_}	17.44	18.93	26.25	0	0	0
			d_{1_}	-10.85	2.48	4.59	0	0	0	c_{4_}	0	0	0	7.24	0	0
			d_{2_}	0	0	0	0	0	-16.95	c_{5_}	0	0	0	0	10.58	0
			d_{3_}	0	0	0	0	-6.06	0	c_{6_}	0	0	0	0	0	9.14
597	Crystal Name: Diammonium O-phospho-DL-threoninate Chemical Formula: ₂(H₄N₁₁⁺),C₄H₈N₁O₆P₁₂^- H-M Space Group: Pca2₁ HD View 3D View Crystal Details	GEJKUC
			e_{1_}	0	0	0	0	-0.01	0	c_{1_}	49.43	17.35	26.56	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	17.35	51.47	14.27	0	0	0
			e_{3_}	0.14	0.11	-0.34	0	0	0	c_{3_}	26.56	14.27	53.9	0	0	0
			d_{1_}	0	0	0	0	-0.69	0	c_{4_}	0	0	0	7.64	0	0
			d_{2_}	0	0	0	1.34	0	0	c_{5_}	0	0	0	0	15.84	0
			d_{3_}	7.86	2.42	-10.83	0	0	0	c_{6_}	0	0	0	0	0	4.65
598	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI21
			e_{1_}	0	0	0	0	0.05	0	c_{1_}	33.21	22.66	17.82	0	0	0
			e_{2_}	0	0	0	0.16	0	0	c_{2_}	22.66	34.91	9.22	0	0	0
			e_{3_}	0.03	-0.01	0.67	0	0	0	c_{3_}	17.82	9.22	70.31	0	0	0
			d_{1_}	0	0	0	0	4.84	0	c_{4_}	0	0	0	9.53	0	0
			d_{2_}	0	0	0	16.48	0	0	c_{5_}	0	0	0	0	11.15	0
			d_{3_}	-4.69	-0.06	10.74	0	0	0	c_{6_}	0	0	0	0	0	11.19
599	Crystal Name: N-Methyl-DL-aspartic acid monohydrate Chemical Formula: C₅H₉N₁O₄,H₂O₁ H-M Space Group: Cc HD View 3D View Crystal Details	WOCVOZ
			e_{1_}	0.21	0.21	-0.06	0	-0.04	0	c_{1_}	32.9	16.17	26.15	0	-6.26	0
			e_{2_}	0	0	0	-0.02	0	0.17	c_{2_}	16.17	25.9	11.03	0	-1.91	0
			e_{3_}	-0.07	0.1	-0.32	0	0.12	0	c_{3_}	26.15	11.03	55.97	0	-20.94	0
			d_{1_}	10.54	5.32	-11.23	0	-11	0	c_{4_}	0	0	0	8.99	0	-0.73
			d_{2_}	0	0	0	-0.69	0	19.53	c_{5_}	-6.26	-1.91	-20.94	0	18.22	0
			d_{3_}	0.73	6.6	-7.89	0	-1.61	0	c_{6_}	0	0	0	-0.73	0	8.74
600	Crystal Name: N-Carboxy-DL-valine anhydride ('DL-valine NCA',) Chemical Formula: C₆H₉N₁O₃ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	WIKCUO
			e_{1_}	0	0	0	0	0.07	0	c_{1_}	16.37	9.02	7.4	0	0	0
			e_{2_}	0	0	0	-0.08	0	0	c_{2_}	9.02	16.76	7.57	0	0	0
			e_{3_}	-0.02	0	0.16	0	0	0	c_{3_}	7.4	7.57	21.49	0	0	0
			d_{1_}	0	0	0	0	16.66	0	c_{4_}	0	0	0	2.88	0	0
			d_{2_}	0	0	0	-29.37	0	0	c_{5_}	0	0	0	0	3.99	0
			d_{3_}	-4.89	-1.54	9.76	0	0	0	c_{6_}	0	0	0	0	0	2.6

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!