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}
1	Crystal Name: 5-amino-1H-tetrazole Chemical Formula: CH₃N₅ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7205237
			e_{1_}	0	0	0	0.04	0	0	c_{1_}	82.33	14.33	26.5	0	0	0
			e_{2_}	0	0	0	0	0.16	0	c_{2_}	14.33	24.61	14.31	0	0	0
			e_{3_}	0	0	0	0	0	0.02	c_{3_}	26.5	14.31	36.53	0	0	0
			d_{1_}	0	0	0	4.06	0	0	c_{4_}	0	0	0	10.18	0	0
			d_{2_}	0	0	0	0	8.38	0	c_{5_}	0	0	0	0	19.62	0
			d_{3_}	0	0	0	0	0	7.83	c_{6_}	0	0	0	0	0	2.37
2	Crystal Name: 9,10-dihydroacridine Chemical Formula: C₁₃H₁₁N H-M Space Group: P2₁ HD View 3D View Crystal Details	4510586
			e_{1_}	0	0	0	-0.01	0	0.01	c_{1_}	14.01	9.75	9.14	0	2.02	0
			e_{2_}	-0.01	0.02	0	0	0	0	c_{2_}	9.75	15.89	6.86	0	-1.25	0
			e_{3_}	0	0	0	0.02	0	-0.01	c_{3_}	9.14	6.86	21.87	0	5.52	0
			d_{1_}	0	0	0	-3.13	0	0.55	c_{4_}	0	0	0	1.83	0	-1.91
			d_{2_}	-3.54	3.96	-0.17	0	2.18	0	c_{5_}	2.02	-1.25	5.52	0	5.75	0
			d_{3_}	0	0	0	11.67	0	2.52	c_{6_}	0	0	0	-1.91	0	6.03
3	Crystal Name: Urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	9017316
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	14.33	14.14	12.38	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.14	14.33	12.38	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.38	12.38	70.39	0	0	0
			d_{1_}	0	0	0	9.74	0	0	c_{4_}	0	0	0	8.38	0	0
			d_{2_}	0	0	0	0	9.74	0	c_{5_}	0	0	0	0	8.38	0
			d_{3_}	0	0	0	0	0	-1.72	c_{6_}	0	0	0	0	0	18.54
4	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516345
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	21.77	13.09	5.03	0	0	0
			e_{2_}	0	0	0	0.02	0	0	c_{2_}	13.09	30.26	8.92	0	0	0
			e_{3_}	0.06	0.02	0.04	0	0	0	c_{3_}	5.03	8.92	23.17	0	0	0
			d_{1_}	0	0	0	0	-54.5	0	c_{4_}	0	0	0	1.94	0	0
			d_{2_}	0	0	0	7.8	0	0	c_{5_}	0	0	0	0	-0.33	0
			d_{3_}	3.07	-0.9	1.24	0	0	0	c_{6_}	0	0	0	0	0	5.63
5	Crystal Name: 4-aminobenzoic acid Chemical Formula: C₇H₇NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	7232198
			e_{1_}	0.09	0	-0.01	0	0.02	0	c_{1_}	25.86	15.76	12.8	0	2.88	0
			e_{2_}	0	0	0	-0.02	0	0.04	c_{2_}	15.76	20.88	16.13	0	-4.12	0
			e_{3_}	0.05	-0.01	0	0	0.06	0	c_{3_}	12.8	16.13	21.55	0	1.63	0
			d_{1_}	7.93	-6.71	0.3	0	-3	0	c_{4_}	0	0	0	7.48	0	-3.74
			d_{2_}	0	0	0	-1.18	0	3.36	c_{5_}	2.88	-4.12	1.63	0	10.64	0
			d_{3_}	2.27	0.4	-2.22	0	5.43	0	c_{6_}	0	0	0	-3.74	0	9.51
6	Crystal Name: pyrazinic acid Chemical Formula: C₅H₄N₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2207725
			e_{1_}	0	0	0	0.04	0	-0.03	c_{1_}	22.39	5.48	9.65	0	-3.13	0
			e_{2_}	0.03	-0.16	0.03	0	0	0	c_{2_}	5.48	50.79	17.01	0	-8.5	0
			e_{3_}	0	0	0	-0.06	0	0.03	c_{3_}	9.65	17.01	21.41	0	-5.29	0
			d_{1_}	0	0	0	-13.57	0	-27.55	c_{4_}	0	0	0	19.73	0	-11.35
			d_{2_}	0.28	-5.17	4.46	0	-3.25	0	c_{5_}	-3.13	-8.5	-5.29	0	6.86	0
			d_{3_}	0	0	0	-10.7	0	-13.51	c_{6_}	0	0	0	-11.35	0	6.82
7	Crystal Name: (S)-2-(2-oxopyrrolidin-1-yl)butanoic acid Chemical Formula: C₈H₁₃NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	8102587
			e_{1_}	0	0	0	-0.07	0	-0.01	c_{1_}	15.59	11.02	10.41	0	-1.34	0
			e_{2_}	-0.23	0.79	0.38	0	-0.45	0	c_{2_}	11.02	18.55	12.29	0	-0.28	0
			e_{3_}	0	0	0	-0.1	0	-0.02	c_{3_}	10.41	12.29	16.65	0	-0.33	0
			d_{1_}	0	0	0	-6.5	0	-0.75	c_{4_}	0	0	0	10.2	0	0.46
			d_{2_}	-102.22	88.55	18.54	0	-144.37	0	c_{5_}	-1.34	-0.28	-0.33	0	3.86	0
			d_{3_}	0	0	0	-9.91	0	-2.14	c_{6_}	0	0	0	0.46	0	7.61
8	Crystal Name: Beta-Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7128793
			e_{1_}	0	0	0	-0.11	0	0.22	c_{1_}	64.06	12.37	21.19	0	-9.74	0
			e_{2_}	-0.01	-0.11	0.1	0	-0.06	0	c_{2_}	12.37	28.89	16.24	0	-3.5	0
			e_{3_}	0	0	0	0.02	0	-0.06	c_{3_}	21.19	16.24	80.13	0	-20.58	0
			d_{1_}	0	0	0	-18.21	0	45.6	c_{4_}	0	0	0	8.76	0	1.07
			d_{2_}	-0.05	-5.18	1.59	0	-2.85	0	c_{5_}	-9.74	-3.5	-20.58	0	17.75	0
			d_{3_}	0	0	0	3.44	0	-12.23	c_{6_}	0	0	0	1.07	0	5.29
9	Crystal Name: 2-(1,3-Dioxoisoindolin-2-yl)propanoic acid Chemical Formula: C₁₁H₉NO₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2224006
			e_{1_}	0	0	0	0.02	0	-0.05	c_{1_}	25.78	13.06	12.92	0	-2.21	0
			e_{2_}	-0.13	0.01	0.02	0	0.01	0	c_{2_}	13.06	13.63	10.52	0	-0.22	0
			e_{3_}	0	0	0	-0.04	0	0	c_{3_}	12.92	10.52	19.13	0	1.26	0
			d_{1_}	0	0	0	4.52	0	-9.8	c_{4_}	0	0	0	4.87	0	0.45
			d_{2_}	-12.86	9.09	5.22	0	-7.32	0	c_{5_}	-2.21	-0.22	1.26	0	3.04	0
			d_{3_}	0	0	0	-7.65	0	0.22	c_{6_}	0	0	0	0.45	0	5.4
10	Crystal Name: Diaminomethaniminium 5-azido-4-nitro-1,2,3-triazol-2-ide Chemical Formula: C₃H₆N₁₀O₂ H-M Space Group: Pc HD View 3D View Crystal Details	7236068
			e_{1_}	0.01	0.01	0.1	0	-0.03	0	c_{1_}	21.11	9.77	6.11	0	-0.85	0
			e_{2_}	0	0	0	-0.08	0	0.01	c_{2_}	9.77	43.79	12.81	0	-0.66	0
			e_{3_}	0	-0.08	-0.04	0	0	0	c_{3_}	6.11	12.81	39.8	0	-6.52	0
			d_{1_}	-0.12	-0.27	1.55	0	-5.95	0	c_{4_}	0	0	0	5.01	0	0.45
			d_{2_}	0	0	0	-16.02	0	3.04	c_{5_}	-0.85	-0.66	-6.52	0	3.59	0
			d_{3_}	0.81	-1.94	-0.62	0	-1.13	0	c_{6_}	0	0	0	0.45	0	4.19
11	Crystal Name: 1-(5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-5-yl)ethanol Chemical Formula: C₇H₁₁N₃O H-M Space Group: P2₁ HD View 3D View Crystal Details	7156136
			e_{1_}	0	0	0	0.01	0	0.15	c_{1_}	24.12	29.64	8.27	0	-0.3	0
			e_{2_}	0.14	0.24	0	0	-0.01	0	c_{2_}	29.64	45.31	8.91	0	-3.42	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	8.27	8.91	14.24	0	3.45	0
			d_{1_}	0	0	0	3.32	0	6.25	c_{4_}	0	0	0	3.19	0	-0.33
			d_{2_}	-3.03	8.52	-4.52	0	5.09	0	c_{5_}	-0.3	-3.42	3.45	0	5.97	0
			d_{3_}	0	0	0	-0.57	0	0.43	c_{6_}	0	0	0	-0.33	0	24.72
12	Crystal Name: 1-cyclopropyl-5H-tetrazole Chemical Formula: C₄H₆N₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	7060620
			e_{1_}	0	0	0	0.05	0	-0.09	c_{1_}	21.81	6.34	9.19	0	-2.95	0
			e_{2_}	-0.05	-0.18	0.02	0	-0.02	0	c_{2_}	6.34	28.97	10.55	0	1.9	0
			e_{3_}	0	0	0	-0.06	0	0	c_{3_}	9.19	10.55	12.3	0	-0.91	0
			d_{1_}	0	0	0	-8.22	0	-106.81	c_{4_}	0	0	0	7.06	0	-1
			d_{2_}	-5.73	-10.48	14.83	0	-0.6	0	c_{5_}	-2.95	1.9	-0.91	0	5.5	0
			d_{3_}	0	0	0	-10.92	0	-13.93	c_{6_}	0	0	0	-1	0	0.9
13	Crystal Name: 2-Hydroxy-N-methylcyanoacetamide Chemical Formula: C₄H₆N₂O₂ H-M Space Group: Pc HD View 3D View Crystal Details	2009176
			e_{1_}	-0.14	-0.05	-0.12	0	0.12	0	c_{1_}	27.72	7.64	14.16	0	-2.85	0
			e_{2_}	0	0	0	0.05	0	-0.03	c_{2_}	7.64	21.59	11.11	0	0.35	0
			e_{3_}	0.14	0.06	0.22	0	-0.04	0	c_{3_}	14.16	11.11	31.09	0	-0.01	0
			d_{1_}	-2.19	-0.67	-2.5	0	14.92	0	c_{4_}	0	0	0	8.02	0	-1.38
			d_{2_}	0	0	0	4.55	0	-8.13	c_{5_}	-2.85	0.35	-0.01	0	7.42	0
			d_{3_}	1.43	-1.47	7.08	0	-5.41	0	c_{6_}	0	0	0	-1.38	0	3.52
14	Crystal Name: gamma-glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	1556579
			e_{1_}	0.11	-0.11	0	-0.1	-0.09	0	c_{1_}	34.11	19.6	17.94	1.41	-0.82	0
			e_{2_}	0	0	0	-0.09	0.1	-0.11	c_{2_}	19.6	34.11	17.94	-1.41	0.82	0
			e_{3_}	0.02	0.02	-0.8	0	0	0	c_{3_}	17.94	17.94	88.15	0	0	0
			d_{1_}	7.8	-7.8	0	-8.71	-5.15	1.79	c_{4_}	1.41	-1.41	0	14.63	0	0.82
			d_{2_}	0.89	-0.89	0	-5.15	8.71	-15.61	c_{5_}	-0.82	0.82	0	0	14.63	1.41
			d_{3_}	4	4	-10.72	0	0	0	c_{6_}	0	0	0	0.82	1.41	7.26
15	Crystal Name: NA Chemical Formula: C₄H₇NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2100518
			e_{1_}	0	0	0	-0.07	0	0.01	c_{1_}	37.05	21.22	29.62	0	8.73	0
			e_{2_}	-0.02	0.02	0.1	0	-0.04	0	c_{2_}	21.22	19.24	18.46	0	-0.41	0
			e_{3_}	0	0	0	0.01	0	0.02	c_{3_}	29.62	18.46	42.7	0	15.2	0
			d_{1_}	0	0	0	-18.12	0	-4.76	c_{4_}	0	0	0	4.42	0	-2.29
			d_{2_}	-2.31	-9.08	13.06	0	-14.44	0	c_{5_}	8.73	-0.41	15.2	0	15.42	0
			d_{3_}	0	0	0	3.69	0	4.18	c_{6_}	0	0	0	-2.29	0	7.16
16	Crystal Name: 3-Ethynylpyridine Chemical Formula: C₇H₅N H-M Space Group: Pc HD View 3D View Crystal Details	4504097
			e_{1_}	0.01	0.07	-0.02	0	0.01	0	c_{1_}	21.1	7.18	7.94	0	0.63	0
			e_{2_}	0	0	0	-0.06	0	0.04	c_{2_}	7.18	17.39	15.22	0	1.47	0
			e_{3_}	-0.02	-0.05	-0.13	0	-0.03	0	c_{3_}	7.94	15.22	28.25	0	3.64	0
			d_{1_}	-0.11	8.76	-6.28	0	6.17	0	c_{4_}	0	0	0	8.44	0	1.6
			d_{2_}	0	0	0	-13.53	0	34.35	c_{5_}	0.63	1.47	3.64	0	2.89	0
			d_{3_}	0.76	1.72	-5.24	0	-3.75	0	c_{6_}	0	0	0	1.6	0	1.84
17	Crystal Name: (1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro-1H-pyrrolizin-3-one Chemical Formula: C₇H₁₁NO₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2233821
			e_{1_}	0	0	0	-0.19	0	-0.16	c_{1_}	22.95	13.26	17.51	0	2.98	0
			e_{2_}	0.02	-0.09	0.16	0	0.02	0	c_{2_}	13.26	54.66	13.17	0	-1.66	0
			e_{3_}	0	0	0	-0.01	0	-0.02	c_{3_}	17.51	13.17	34.05	0	10.29	0
			d_{1_}	0	0	0	-7.71	0	-22.36	c_{4_}	0	0	0	14.83	0	3.43
			d_{2_}	-4.35	-3.13	10.09	0	-6.36	0	c_{5_}	2.98	-1.66	10.29	0	11.55	0
			d_{3_}	0	0	0	0.11	0	-3.15	c_{6_}	0	0	0	3.43	0	5.9
18	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	1544226
			e_{1_}	0	0	0	0.34	0	0	c_{1_}	23.42	11.12	11.64	0	0	0
			e_{2_}	0	0	0	0	0.12	0	c_{2_}	11.12	26.93	24.8	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	11.64	24.8	74.73	0	0	0
			d_{1_}	0	0	0	23.36	0	0	c_{4_}	0	0	0	14.38	0	0
			d_{2_}	0	0	0	0	-171.17	0	c_{5_}	0	0	0	0	-0.71	0
			d_{3_}	0	0	0	0	0	-4.6	c_{6_}	0	0	0	0	0	8.52
19	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232402
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	14.02	8.83	9.74	0	0.27	0
			e_{2_}	0.03	0.03	0.01	0	-0.01	0	c_{2_}	8.83	14.52	10.33	0	0.89	0
			e_{3_}	0	0	0	0.03	0	-0.01	c_{3_}	9.74	10.33	14.35	0	-0.75	0
			d_{1_}	0	0	0	-4.37	0	0.59	c_{4_}	0	0	0	4.68	0	0.94
			d_{2_}	1.8	2.86	-2.5	0	-3.32	0	c_{5_}	0.27	0.89	-0.75	0	5.88	0
			d_{3_}	0	0	0	7.24	0	-2.43	c_{6_}	0	0	0	0.94	0	5.37
20	Crystal Name: Urea Chemical Formula: CO(NH₂)₂ H-M Space Group: P–4₂1m HD View 3D View Crystal Details	9011439
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	13.68	14.02	12.15	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.02	13.68	12.15	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.15	12.15	68.69	0	0	0
			d_{1_}	0	0	0	9.48	0	0	c_{4_}	0	0	0	8.2	0	0
			d_{2_}	0	0	0	0	9.48	0	c_{5_}	0	0	0	0	8.2	0
			d_{3_}	0	0	0	0	0	-1.78	c_{6_}	0	0	0	0	0	18.11
21	Crystal Name: N-t-butyl-1-oxo-2-phenylindane-2-carboxamide Chemical Formula: C₂₀H₂₁NO₂ H-M Space Group: P1 HD View 3D View Crystal Details	1555870
			e_{1_}	0.12	0.01	0.03	-0.01	-0.07	0.06	c_{1_}	12.88	8.84	7.51	0.27	0.77	0.9
			e_{2_}	-0.05	0.03	-0.02	-0.04	0.01	-0.01	c_{2_}	8.84	24.75	8.4	-1.2	-0.15	-2.25
			e_{3_}	-0.06	-0.09	-0.03	-0.04	0.02	0	c_{3_}	7.51	8.4	19.6	-0.32	2.44	0.33
			d_{1_}	10.63	-2.01	-0.18	-1.55	-15.35	14.9	c_{4_}	0.27	-1.2	-0.32	5.46	0.81	0.19
			d_{2_}	-5.75	3.21	-0.74	-6.05	3.98	-0.27	c_{5_}	0.77	-0.15	2.44	0.81	4.97	0.17
			d_{3_}	-1.57	-3.96	0.13	-9.67	5.84	-3.08	c_{6_}	0.9	-2.25	0.33	0.19	0.17	3.52
22	Crystal Name: 4-(Imidazol-1-yl)benzoic acid Chemical Formula: C₁₀H₈N₂O₂ H-M Space Group: Pc HD View 3D View Crystal Details	2229011
			e_{1_}	-0.04	0.07	-0.13	0	0.03	0	c_{1_}	15.89	12.48	12.06	0	-1.73	0
			e_{2_}	0	0	0	-0.04	0	0.04	c_{2_}	12.48	25.45	19.85	0	-5.66	0
			e_{3_}	0.05	-0.05	0.08	0	-0.05	0	c_{3_}	12.06	19.85	23.95	0	-8.8	0
			d_{1_}	-0.23	20.75	-25.44	0	-8.08	0	c_{4_}	0	0	0	8.2	0	-2.53
			d_{2_}	0	0	0	6.73	0	36.5	c_{5_}	-1.73	-5.66	-8.8	0	9.4	0
			d_{3_}	4.84	-13.51	11.27	0	-2.07	0	c_{6_}	0	0	0	-2.53	0	1.53
23	Crystal Name: 3-t-Butyl-1,1-diphenylurea Chemical Formula: C₁₇H₂₀N₂O H-M Space Group: P1 HD View 3D View Crystal Details	7109769
			e_{1_}	-0.03	-0.04	-0.02	0	0	0.03	c_{1_}	15.2	7.94	6.14	0.14	-0.14	-2.07
			e_{2_}	-0.01	-0.08	0	-0.04	0	0	c_{2_}	7.94	17.55	8.39	-0.52	-1.08	-1.96
			e_{3_}	0	0.04	-0.09	-0.05	0.01	-0.02	c_{3_}	6.14	8.39	18.83	2.35	-0.75	1.3
			d_{1_}	-0.13	-1.49	-0.48	0.72	-0.35	4.12	c_{4_}	0.14	-0.52	2.35	8.71	-1.14	-0.61
			d_{2_}	1.35	-7.48	3.52	-6.36	-2.83	-2.72	c_{5_}	-0.14	-1.08	-0.75	-1.14	4.74	0.3
			d_{3_}	0.2	5.58	-6.79	-3.21	2.21	0.28	c_{6_}	-2.07	-1.96	1.3	-0.61	0.3	6.6
24	Crystal Name: l-lactic acid Chemical Formula: C₃H₆O₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7242511
			e_{1_}	0	0	0	-0.07	0	0	c_{1_}	81.75	-2.06	5.81	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	-2.06	21.26	9.79	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	5.81	9.79	17.43	0	0	0
			d_{1_}	0	0	0	-11.72	0	0	c_{4_}	0	0	0	6.12	0	0
			d_{2_}	0	0	0	0	-2.01	0	c_{5_}	0	0	0	0	5.69	0
			d_{3_}	0	0	0	0	0	-1.71	c_{6_}	0	0	0	0	0	5.44
25	Crystal Name: L-Seryl-L-asparagine monohydrate Chemical Formula: C₇H₁₅N₃O₆ H-M Space Group: P1 HD View 3D View Crystal Details	2016490
			e_{1_}	0.33	-0.01	-0.01	0.01	0	0.01	c_{1_}	55.12	17.68	19.86	6.5	-0.59	-2.21
			e_{2_}	0.04	0.26	-0.05	-0.03	0.03	0.04	c_{2_}	17.68	46.86	22.12	11.78	-0.15	-3.3
			e_{3_}	-0.03	-0.09	-0.12	-0.13	0.11	0.01	c_{3_}	19.86	22.12	64.51	21.18	6.44	3.62
			d_{1_}	7.57	-2.1	-2.77	2.45	0.34	2.72	c_{4_}	6.5	11.78	21.18	18.64	4.18	0.11
			d_{2_}	-0.03	8.97	-3.23	-5.13	6.27	7.34	c_{5_}	-0.59	-0.15	6.44	4.18	9.06	2.55
			d_{3_}	0.85	0.54	0.03	-12.11	18.9	-3.08	c_{6_}	-2.21	-3.3	3.62	0.11	2.55	9.6

Predicted Material Properties Repository and Database (CrystalDFT)

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