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}
376	Crystal Name: p-aminobenzoic acid Chemical Formula: C₇H₇NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	7232196
			e_{1_}	0.08	-0.01	-0.05	0	0.02	0	c_{1_}	27.73	16.56	12.01	0	2.75	0
			e_{2_}	0	0	0	0	0	0.02	c_{2_}	16.56	21.61	16.9	0	-4.48	0
			e_{3_}	0.08	0.03	0.05	0	0.06	0	c_{3_}	12.01	16.9	22.49	0	1.75	0
			d_{1_}	5.72	-2.59	-3.16	0	-0.53	0	c_{4_}	0	0	0	8.54	0	-4.47
			d_{2_}	0	0	0	0.81	0	2.6	c_{5_}	2.75	-4.48	1.75	0	10.93	0
			d_{3_}	1.97	-0.03	0.92	0	4.52	0	c_{6_}	0	0	0	-4.47	0	10.91
377	Crystal Name: ammonioacetate Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	7219319
			e_{1_}	0.08	-0.08	0	-0.08	0.1	0.02	c_{1_}	38.19	23.15	19.56	1.48	0.71	0
			e_{2_}	0.02	-0.02	0	0.1	0.08	-0.08	c_{2_}	23.15	38.19	19.56	-1.48	-0.71	0
			e_{3_}	-0.03	-0.03	0.82	0	0	0	c_{3_}	19.56	19.56	84.53	0	0	0
			d_{1_}	5.58	-5.58	0	-6.14	5.59	1.33	c_{4_}	1.48	-1.48	0	15.66	0	-0.71
			d_{2_}	0.66	-0.67	0	5.59	6.14	-11.17	c_{5_}	0.71	-0.71	0	0	15.66	1.48
			d_{3_}	-4.12	-4.12	11.57	0	0	0	c_{6_}	0	0	0	-0.71	1.48	7.52
378	Crystal Name: Deacetyl tenuazonic acid Chemical Formula: C₈H₁₃NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2221925
			e_{1_}	0	0	0	0.05	0	0.05	c_{1_}	20.54	5.74	6.91	0	-1.37	0
			e_{2_}	0.02	0.03	0.01	0	0	0	c_{2_}	5.74	26.46	10.22	0	2.2	0
			e_{3_}	0	0	0	0.1	0	0.01	c_{3_}	6.91	10.22	14.13	0	-1.36	0
			d_{1_}	0	0	0	23.17	0	47.77	c_{4_}	0	0	0	6.65	0	-2.24
			d_{2_}	0.6	1.8	-1.36	0	-1.38	0	c_{5_}	-1.37	2.2	-1.36	0	3.17	0
			d_{3_}	0	0	0	25.58	0	32.82	c_{6_}	0	0	0	-2.24	0	2.14
379	Crystal Name: (R)-histidinium (2R, 3R)-tartrate Chemical Formula: C₁₀H₁₅N₃O₈ H-M Space Group: P1 HD View 3D View Crystal Details	2204154
			e_{1_}	-0.14	-0.11	-0.05	0.02	0.13	-0.06	c_{1_}	36.5	30.69	19.68	0.35	-11.24	3.18
			e_{2_}	0.11	-0.45	0	-0.03	-0.01	-0.04	c_{2_}	30.69	69.12	22.88	-1.9	-5.74	11.13
			e_{3_}	0.12	-0.12	0.05	0	-0.02	-0.01	c_{3_}	19.68	22.88	30.64	0.85	-6.6	-0.57
			d_{1_}	0.44	-0.01	0.97	-0.18	14.16	-6.21	c_{4_}	0.35	-1.9	0.85	7.91	-0.37	-3.53
			d_{2_}	16.87	-14.76	2.53	-5.71	9.81	3.62	c_{5_}	-11.24	-5.74	-6.6	-0.37	10.31	1.2
			d_{3_}	9.09	-5.87	1.32	-0.64	5.78	1.14	c_{6_}	3.18	11.13	-0.57	-3.53	1.2	12.29
380	Crystal Name: Carbon(II) oxide Chemical Formula: CO H-M Space Group: P2₁3 HD View 3D View Crystal Details	1010305
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	3.87	2.74	2.74	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	2.74	3.87	2.74	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	2.74	2.74	3.87	0	0	0
			d_{1_}	0	0	0	6.47	0	0	c_{4_}	0	0	0	1.9	0	0
			d_{2_}	0	0	0	0	6.47	0	c_{5_}	0	0	0	0	1.9	0
			d_{3_}	0	0	0	0	0	6.48	c_{6_}	0	0	0	0	0	1.9
381	Crystal Name: 4,5-Dihydroxy-7-oxa-bicyclo[4.1.0]hept-2-ene-3-carboxylic acid methyl ester Chemical Formula: C₈H₁₀O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	7114329
			e_{1_}	0	0	0	0.02	0	-0.01	c_{1_}	32.11	9.81	9.05	0	-4.54	0
			e_{2_}	-0.01	0.06	0.04	0	0.02	0	c_{2_}	9.81	26.87	12.62	0	-0.52	0
			e_{3_}	0	0	0	0.01	0	0.04	c_{3_}	9.05	12.62	26.54	0	0.59	0
			d_{1_}	0	0	0	2.47	0	-0.31	c_{4_}	0	0	0	7.52	0	-1.42
			d_{2_}	-0.79	2.14	0.7	0	1.85	0	c_{5_}	-4.54	-0.52	0.59	0	6.59	0
			d_{3_}	0	0	0	2.22	0	7.7	c_{6_}	0	0	0	-1.42	0	5.47
382	Crystal Name: 2,4,6-Trinitro-1,3,5-benzenetriol Chemical Formula: C₆H₃N₃O₉ H-M Space Group: P2₁ HD View 3D View Crystal Details	2005703
			e_{1_}	0	0	0	0.02	0	-0.01	c_{1_}	24.37	8.15	8.15	0	7.99	0
			e_{2_}	-0.02	0.02	-0.04	0	-0.06	0	c_{2_}	8.15	14.51	10.6	0	-2.22	0
			e_{3_}	0	0	0	-0.02	0	-0.05	c_{3_}	8.15	10.6	15.86	0	0.61	0
			d_{1_}	0	0	0	3.69	0	-1.9	c_{4_}	0	0	0	5.17	0	-1.11
			d_{2_}	6.77	-1.76	-4.26	0	-16.97	0	c_{5_}	7.99	-2.22	0.61	0	6.52	0
			d_{3_}	0	0	0	-7.37	0	-12.13	c_{6_}	0	0	0	-1.11	0	4.86
383	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7232404
			e_{1_}	0	0	0	0.03	0	0	c_{1_}	13.9	10.37	11.78	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	10.37	13.57	9.65	0	0	0
			e_{3_}	0	0	0	0	0	0.02	c_{3_}	11.78	9.65	14.78	0	0	0
			d_{1_}	0.01	0	-0.01	37.38	0	0	c_{4_}	0	0	0	0.76	0	0
			d_{2_}	0.01	0	0	0	-0.95	0	c_{5_}	0	0	0	0	6.6	0
			d_{3_}	-0.01	0	0.01	0	0	3.42	c_{6_}	0	0	0	0	0	6.02
384	Crystal Name: Ethanol Chemical Formula: C₂H₆O H-M Space Group: Pc HD View 3D View Crystal Details	5910115
			e_{1_}	-0.03	0.03	-0.01	0	0	0	c_{1_}	14.93	6.5	8.37	0	-3.89	0
			e_{2_}	0	0	0	-0.01	0	0.01	c_{2_}	6.5	12.31	5.1	0	0.51	0
			e_{3_}	0.01	0	0.19	0	-0.05	0	c_{3_}	8.37	5.1	21.38	0	-3.45	0
			d_{1_}	-5.02	5.49	-0.62	0	-4.33	0	c_{4_}	0	0	0	1.9	0	-0.28
			d_{2_}	0	0	0	-3.56	0	2.54	c_{5_}	-3.89	0.51	-3.45	0	6.55	0
			d_{3_}	-5.61	-1.65	10.7	0	-4.87	0	c_{6_}	0	0	0	-0.28	0	4.47
385	Crystal Name: cis-1,2,4-trans-3,5,6-cyclohexanehexol Chemical Formula: C₆H₁₂O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	1543055
			e_{1_}	0	0	0	0	0	0.12	c_{1_}	44.45	17.45	13.08	0	-0.97	0
			e_{2_}	0.08	0.32	0.18	0	-0.01	0	c_{2_}	17.45	42.9	26.53	0	-1.68	0
			e_{3_}	0	0	0	0.08	0	0.06	c_{3_}	13.08	26.53	47.03	0	2.61	0
			d_{1_}	0	0	0	0.89	0	7.45	c_{4_}	0	0	0	21.94	0	-2.86
			d_{2_}	-1.34	8.4	-0.67	0	0.74	0	c_{5_}	-0.97	-1.68	2.61	0	8.11	0
			d_{3_}	0	0	0	4.34	0	4.4	c_{6_}	0	0	0	-2.86	0	16.1
386	Crystal Name: Bicyclo[3.3.1]nona-2,6-diene-2,6-dicarbonitrile Chemical Formula: C₁₁H₁₀N₂ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	7206960
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	22.31	10.33	9.91	0	0	0
			e_{2_}	0	0	0	0	0.02	0	c_{2_}	10.33	15.14	8.65	0	0	0
			e_{3_}	0	0	0	0	0	-0.07	c_{3_}	9.91	8.65	18.13	0	0	0
			d_{1_}	0	0	0	4.51	0	0	c_{4_}	0	0	0	1.24	0	0
			d_{2_}	0	0	0	0	4.88	0	c_{5_}	0	0	0	0	4.13	0
			d_{3_}	0	0	0	0	0	-14.97	c_{6_}	0	0	0	0	0	4.65
387	Crystal Name: N-methylurea Chemical Formula: C₂H₆N₂O H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7209247
			e_{1_}	0	0	0	0	0	0	c_{1_}	16.51	9.74	12.41	0	0	0
			e_{2_}	0	0	0	0	-0.04	0	c_{2_}	9.74	17.82	11.27	0	0	0
			e_{3_}	0	0	0	0	0	0.08	c_{3_}	12.41	11.27	26.61	0	0	0
			d_{1_}	0	0	0	-0.8	0	0	c_{4_}	0	0	0	4.09	0	0
			d_{2_}	0	0	0	0	-8.94	0	c_{5_}	0	0	0	0	4.76	0
			d_{3_}	0	0	0	0	0	9.93	c_{6_}	0	0	0	0	0	8.07
388	Crystal Name: Diaminoguanidinium 4,5-dicyano-1,2,3-triazolate Chemical Formula: C₅H₈N₁₀ H-M Space Group: P2₁ HD View 3D View Crystal Details	4301456
			e_{1_}	0	0	0	-0.04	0	0.03	c_{1_}	17.45	8.64	8.79	0	2.08	0
			e_{2_}	-0.02	-0.23	-0.06	0	-0.08	0	c_{2_}	8.64	18.16	16.43	0	3.62	0
			e_{3_}	0	0	0	0.13	0	0.04	c_{3_}	8.79	16.43	20.64	0	4.55	0
			d_{1_}	0	0	0	-19.99	0	33.52	c_{4_}	0	0	0	9.22	0	4.31
			d_{2_}	4.87	-36.8	26.93	0	-12.04	0	c_{5_}	2.08	3.62	4.55	0	6.72	0
			d_{3_}	0	0	0	18.67	0	-10.28	c_{6_}	0	0	0	4.31	0	3.46
389	Crystal Name: 1-methyl-4-nitroimidzole Chemical Formula: C₄H₅N₃O₂ H-M Space Group: P1 HD View 3D View Crystal Details	8106647
			e_{1_}	0.05	-0.1	0.2	-0.03	0.09	-0.05	c_{1_}	16.48	7.99	14.39	1.68	3.68	0.94
			e_{2_}	-0.03	-0.27	-0.1	0.07	-0.02	0.01	c_{2_}	7.99	29.02	10.49	0.18	2.84	3.18
			e_{3_}	0.05	0.11	0.23	-0.15	0.15	-0.05	c_{3_}	14.39	10.49	27.8	-2.74	8.41	-1.76
			d_{1_}	-5.22	-5.7	10.51	6.17	5.9	-6.36	c_{4_}	1.68	0.18	-2.74	7.49	-3.24	2.57
			d_{2_}	1.24	-10.9	0.11	9.39	3.82	5.87	c_{5_}	3.68	2.84	8.41	-3.24	9.98	-0.37
			d_{3_}	-2.91	2.3	5.56	-14.31	6.23	-1.55	c_{6_}	0.94	3.18	-1.76	2.57	-0.37	4.04
390	Crystal Name: Lonsdaleite Chemical Formula: C H-M Space Group: P6₃mc HD View 3D View Crystal Details	1101022
			e_{1_}	0	0	0	0	0	0	c_{1_}	1265.9	125.19	-11.14	0	0	-0.15
			e_{2_}	0	0	0	0	0	0	c_{2_}	125.19	1265.79	-11.12	0	0	0.05
			e_{3_}	0	0	0	0	0	0	c_{3_}	-11.14	-11.12	1354.98	0	0	0.02
			d_{1_}	0	0	0	0	0	0	c_{4_}	0	0	0	402.09	-5.48	0
			d_{2_}	0	0	0	0	0	0	c_{5_}	0	0	0	-5.48	408.42	0
			d_{3_}	0	0	0	0	0	0	c_{6_}	-0.15	0.05	0.02	0	0	570.44
391	Crystal Name: zeta-glycine-d5 Chemical Formula: C₂D₅NO₂ H-M Space Group: P1 HD View 3D View Crystal Details	1546931
			e_{1_}	-0.3	0.03	0.17	-0.04	0.35	0.19	c_{1_}	80.72	15.47	24.18	0.77	-8.05	-0.88
			e_{2_}	0.04	-0.14	0.1	-0.01	0.03	0.07	c_{2_}	15.47	33.97	19.23	-0.28	-4.58	0.69
			e_{3_}	0.04	0.06	0.67	0	-0.27	-0.01	c_{3_}	24.18	19.23	74.72	-2.31	-15.6	-0.43
			d_{1_}	-3.29	-0.35	9.27	0.14	26.39	47.5	c_{4_}	0.77	-0.28	-2.31	9.61	0.57	-0.75
			d_{2_}	1.35	-6.67	3.48	0.44	3.84	19.54	c_{5_}	-8.05	-4.58	-15.6	0.57	18.02	-0.19
			d_{3_}	-2.54	-3.14	8.63	2.2	-9.49	-2.58	c_{6_}	-0.88	0.69	-0.43	-0.75	-0.19	4.23
392	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200104
			e_{1_}	0	0	0	0.06	0	0.04	c_{1_}	21.9	12.78	11.5	0	-3.23	0
			e_{2_}	0.04	0.05	0.13	0	0.05	0	c_{2_}	12.78	19.24	11.04	0	-1.58	0
			e_{3_}	0	0	0	0.15	0	-0.04	c_{3_}	11.5	11.04	16.31	0	-2.32	0
			d_{1_}	0	0	0	7.66	0	5.83	c_{4_}	0	0	0	6.36	0	1.34
			d_{2_}	1.09	-3.74	14.13	0	30.5	0	c_{5_}	-3.23	-1.58	-2.32	0	2.52	0
			d_{3_}	0	0	0	26.77	0	-17.52	c_{6_}	0	0	0	1.34	0	4.44
393	Crystal Name: 1-Methylindoline-5-carbonitrile Chemical Formula: C₁₀H₁₀N₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4102501
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	14.08	10.81	13.6	0	-1.25	0
			e_{2_}	-0.02	-0.02	-0.06	0	0.04	0	c_{2_}	10.81	11.65	10.38	0	1.34	0
			e_{3_}	0	0	0	-0.02	0	0.04	c_{3_}	13.6	10.38	21.73	0	-3.17	0
			d_{1_}	0	0	0	9.84	0	-2.95	c_{4_}	0	0	0	2.38	0	0.9
			d_{2_}	9.01	-8.78	-2.65	0	12.1	0	c_{5_}	-1.25	1.34	-3.17	0	4.92	0
			d_{3_}	0	0	0	-11.2	0	11.95	c_{6_}	0	0	0	0.9	0	4.26
394	Crystal Name: Hexanedioic acid bis(4-methylpyridine) Chemical Formula: C₁₈H₂₄N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	7217223
			e_{1_}	0	0	0	0	0	0	c_{1_}	28.03	8.95	9.3	0.34	5.14	7.18
			e_{2_}	0	0	0	0	0	0	c_{2_}	8.95	10.46	9.13	-0.21	0.1	0.49
			e_{3_}	0	0.01	0	0	0	0	c_{3_}	9.3	9.13	20.22	-5.35	1.65	1.05
			d_{1_}	1.61	0.85	-2.62	-5.81	1.48	-4.47	c_{4_}	0.34	-0.21	-5.35	4.22	-0.76	-1.61
			d_{2_}	-0.16	-1.18	1.32	2.62	-2.29	1.63	c_{5_}	5.14	0.1	1.65	-0.76	3.59	2.57
			d_{3_}	0.63	1.68	-1.77	-3.39	-0.27	-1.64	c_{6_}	7.18	0.49	1.05	-1.61	2.57	5.82
395	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516342
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	23.84	14.86	5.98	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	14.86	32.73	9.49	0	0	0
			e_{3_}	0.07	0.02	0.04	0	0	0	c_{3_}	5.98	9.49	24.95	0	0	0
			d_{1_}	0	0	0	0	-58.61	0	c_{4_}	0	0	0	1.92	0	0
			d_{2_}	0	0	0	4.53	0	0	c_{5_}	0	0	0	0	-0.3	0
			d_{3_}	3.43	-1.14	1.09	0	0	0	c_{6_}	0	0	0	0	0	6.43
396	Crystal Name: Imidazolium L-Tartrate Chemical Formula: C₇H₁₀N₂O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7209290
			e_{1_}	0	0	0	0.02	0	0.02	c_{1_}	78.69	11.96	20.98	0	-13.35	0
			e_{2_}	0.26	-0.02	-0.13	0	0.04	0	c_{2_}	11.96	14.78	7.62	0	-1.13	0
			e_{3_}	0	0	0	-0.01	0	-0.02	c_{3_}	20.98	7.62	43.74	0	-11.25	0
			d_{1_}	0	0	0	9.57	0	1.21	c_{4_}	0	0	0	2.24	0	0.73
			d_{2_}	5.66	-3.65	-3.86	0	4.51	0	c_{5_}	-13.35	-1.13	-11.25	0	15.08	0
			d_{3_}	0	0	0	-5.34	0	-1.65	c_{6_}	0	0	0	0.73	0	7.28
397	Crystal Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]formamide Chemical Formula: C₉H₁₁NO₃ H-M Space Group: P1 HD View 3D View Crystal Details	1550336
			e_{1_}	0.19	0.07	0.05	0.04	0	-0.04	c_{1_}	20.97	15.82	11.46	0.83	1.11	1.21
			e_{2_}	-0.13	-0.09	-0.02	-0.04	0.03	0.06	c_{2_}	15.82	19.33	14.54	5.26	-2.65	-2.44
			e_{3_}	-0.01	-0.03	0.08	-0.03	0.05	0.02	c_{3_}	11.46	14.54	25.23	6.46	-0.26	-0.32
			d_{1_}	43.92	-46.54	5.15	12.02	-27.5	-24.1	c_{4_}	0.83	5.26	6.46	8.16	-2.83	-1.46
			d_{2_}	-25.35	23.49	-1.07	-5.8	20.32	17.89	c_{5_}	1.11	-2.65	-0.26	-2.83	4.31	0.7
			d_{3_}	-4.85	0.32	6.93	-6.02	8.41	1.56	c_{6_}	1.21	-2.44	-0.32	-1.46	0.7	6.84
398	Crystal Name: 4-aminopyridinium hydrogen maleate Chemical Formula: C₉H₁₀N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	7240726
			e_{1_}	0	0	0	0.03	0	0.07	c_{1_}	16.44	16.85	14	0	1.09	0
			e_{2_}	0.04	0.09	-0.07	0	0.05	0	c_{2_}	16.85	29.76	18.54	0	1.12	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	14	18.54	37.32	0	-0.11	0
			d_{1_}	0	0	0	6.75	0	4.53	c_{4_}	0	0	0	4.82	0	0.08
			d_{2_}	0.36	4.57	-4.29	0	20.22	0	c_{5_}	1.09	1.12	-0.11	0	2.03	0
			d_{3_}	0	0	0	0.47	0	-0.73	c_{6_}	0	0	0	0.08	0	16.04
399	Crystal Name: Pyrazine-2-carboxamide Chemical Formula: C₅H₅N₃O H-M Space Group: Pc HD View 3D View Crystal Details	4501764
			e_{1_}	-0.11	0.02	0.13	0	0.11	0	c_{1_}	47.19	13.62	19.57	0	6.4	0
			e_{2_}	0	0	0	-0.01	0	0.01	c_{2_}	13.62	24.3	7.87	0	0.83	0
			e_{3_}	0.06	-0.05	0.35	0	0.09	0	c_{3_}	19.57	7.87	45.86	0	9.33	0
			d_{1_}	-5.64	2.61	3.11	0	8.56	0	c_{4_}	0	0	0	1.49	0	-0.55
			d_{2_}	0	0	0	-9.15	0	0.86	c_{5_}	6.4	0.83	9.33	0	13.65	0
			d_{3_}	-1.47	-3.87	8.45	0	1.84	0	c_{6_}	0	0	0	-0.55	0	6.68
400	Crystal Name: Oxammite Chemical Formula: C₂H₁₀N₂O₅ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	9011126
			e_{1_}	0	0	0	-0.05	0	0	c_{1_}	62.77	26.83	21.46	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	26.83	64.44	26.46	0	0	0
			e_{3_}	0	0	0	0	0	-0.06	c_{3_}	21.46	26.46	37.49	0	0	0
			d_{1_}	0	0	0	-3.97	0	0	c_{4_}	0	0	0	12.33	0	0
			d_{2_}	0	0	0	0	0.5	0	c_{5_}	0	0	0	0	11.61	0
			d_{3_}	0	0	0	0	0	-3.64	c_{6_}	0	0	0	0	0	16.25

Predicted Material Properties Repository and Database (CrystalDFT)

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