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}
401	Crystal Name: ammonium oxalate monohydrate Chemical Formula: C₂D₁₀N₂O₅ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	2107186
			e_{1_}	0	0	0	-0.05	0	0	c_{1_}	60	26.22	20.58	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	26.22	62.9	25.72	0	0	0
			e_{3_}	0	0	0	0	0	-0.06	c_{3_}	20.58	25.72	36.33	0	0	0
			d_{1_}	0	0	0	-3.85	0	0	c_{4_}	0	0	0	12.71	0	0
			d_{2_}	0	0	0	0	0.43	0	c_{5_}	0	0	0	0	11.35	0
			d_{3_}	0	0	0	0	0	-3.62	c_{6_}	0	0	0	0	0	16.84
402	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7232405
			e_{1_}	0	0	0	0.03	0	0	c_{1_}	12.88	9.95	10.91	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	9.95	12.77	8.77	0	0	0
			e_{3_}	0	0	0	0	0	0.03	c_{3_}	10.91	8.77	13.48	0	0	0
			d_{1_}	0	0	0	39.6	0	0	c_{4_}	0	0	0	0.66	0	0
			d_{2_}	-0.01	0	0	0	-1.21	0	c_{5_}	0	0	0	0	6.14	0
			d_{3_}	-0.01	0.01	0.01	0	0	4.76	c_{6_}	0	0	0	0	0	5.88
403	Crystal Name: Lonsdaleite Chemical Formula: C H-M Space Group: P6₃mc HD View 3D View Crystal Details	1100004
			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
404	Crystal Name: Nitroaminofurazans with Azo and Azoxy Linkage Chemical Formula: C₄H₂N₁₀O₇ H-M Space Group: Pc HD View 3D View Crystal Details	1520064
			e_{1_}	0.02	0.01	-0.03	0	-0.01	0	c_{1_}	23.89	18.63	10.92	0	-0.72	0
			e_{2_}	0	0	0	0.05	0	-0.02	c_{2_}	18.63	22.48	8.84	0	-1.82	0
			e_{3_}	0	-0.01	-0.11	0	-0.02	0	c_{3_}	10.92	8.84	27.15	0	5.93	0
			d_{1_}	2.47	-0.24	-2.76	0	2.72	0	c_{4_}	0	0	0	2.76	0	-1.9
			d_{2_}	0	0	0	18.76	0	1.92	c_{5_}	-0.72	-1.82	5.93	0	3.84	0
			d_{3_}	3.8	-0.95	-6.18	0	3.98	0	c_{6_}	0	0	0	-1.9	0	10.4
405	Crystal Name: RR-tartaric acid Chemical Formula: C₄H₆O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7241734
			e_{1_}	0	0	0	-0.19	0	0.1	c_{1_}	47.76	12.57	26.69	0	-9.29	0
			e_{2_}	0.12	0.08	0.18	0	-0.08	0	c_{2_}	12.57	21.79	11.03	0	-3.83	0
			e_{3_}	0	0	0	0.15	0	-0.1	c_{3_}	26.69	11.03	100.01	0	-26.34	0
			d_{1_}	0	0	0	-13.86	0	8.02	c_{4_}	0	0	0	12.66	0	-1.92
			d_{2_}	1.2	2.3	0.68	0	-1.96	0	c_{5_}	-9.29	-3.83	-26.34	0	19.37	0
			d_{3_}	0	0	0	10.58	0	-8.7	c_{6_}	0	0	0	-1.92	0	9.49
406	Crystal Name: benzene-dicarbonitrile Chemical Formula: C₉H₃N₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	1557858
			e_{1_}	0	0	0	-0.04	0	0.05	c_{1_}	19.9	9.12	9.23	0	1.74	0
			e_{2_}	0.01	0.14	-0.11	0	-0.03	0	c_{2_}	9.12	25.87	8.55	0	0.87	0
			e_{3_}	0	0	0	-0.14	0	-0.03	c_{3_}	9.23	8.55	24.86	0	6	0
			d_{1_}	0	0	0	-9.53	0	19.83	c_{4_}	0	0	0	8.09	0	1.69
			d_{2_}	0.19	8.06	-8.48	0	4.27	0	c_{5_}	1.74	0.87	6	0	3.63	0
			d_{3_}	0	0	0	-16.58	0	-1.58	c_{6_}	0	0	0	1.69	0	3.3
407	Crystal Name: N-(benzyloxy)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide Chemical Formula: C₁₅H₁₃N₃O₃ H-M Space Group: P1 HD View 3D View Crystal Details	7127576
			e_{1_}	0.1	0.09	-0.02	-0.01	-0.01	0.11	c_{1_}	17.42	18.78	12.3	-0.21	-0.5	7.01
			e_{2_}	0.06	0.08	0	-0.01	-0.01	0.09	c_{2_}	18.78	23.69	13.47	2.93	0.31	9.14
			e_{3_}	-0.01	0	0.04	0	-0.01	0	c_{3_}	12.3	13.47	19.07	3.5	-2.57	0.89
			d_{1_}	53.7	-25.78	-25.6	33.74	-17.17	-5.89	c_{4_}	-0.21	2.93	3.5	5.73	1	1.42
			d_{2_}	-12.09	7.03	4.9	-11.53	2.1	11.63	c_{5_}	-0.5	0.31	-2.57	1	4.58	-0.05
			d_{3_}	-65.25	32.83	30.59	-45.92	15.82	18.52	c_{6_}	7.01	9.14	0.89	1.42	-0.05	10.36
408	Crystal Name: Pyridine-N-oxide Chemical Formula: C₅H₅NO H-M Space Group: P4₁2₁2 HD View 3D View Crystal Details	2105866
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	18.14	11.25	13.38	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	11.25	18.14	13.38	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	13.38	13.38	15.25	0	0	0
			d_{1_}	0	0	0	1.9	0	0	c_{4_}	0	0	0	5.48	0	0
			d_{2_}	0	0	0	0	-1.9	0	c_{5_}	0	0	0	0	5.48	0
			d_{3_}	0	0	0	0	0	0	c_{6_}	0	0	0	0	0	3.78
409	Crystal Name: Trans-4-(Styryl)pyridine Chemical Formula: C₁₃H₁₁N H-M Space Group: Pc HD View 3D View Crystal Details	4109988
			e_{1_}	-0.2	0	-0.04	0	0.08	0	c_{1_}	36.11	10.82	15.59	0	-10.31	0
			e_{2_}	0	0	0	0	0	-0.01	c_{2_}	10.82	12.85	11.63	0	1.15	0
			e_{3_}	0.12	-0.01	0	0	-0.05	0	c_{3_}	15.59	11.63	14.25	0	-1.35	0
			d_{1_}	-7.67	5.58	1.17	0	-0.23	0	c_{4_}	0	0	0	5.99	0	1.58
			d_{2_}	0	0	0	1.5	0	-6.19	c_{5_}	-10.31	1.15	-1.35	0	6.45	0
			d_{3_}	6.95	-0.22	-7.23	0	1.48	0	c_{6_}	0	0	0	1.58	0	2.04
410	Crystal Name: 8-methylenehexahydro-6H-cyclopenta[c]furo[2,3-d]pyran-2(3H)-one Chemical Formula: C₁₁H₁₄O₃ H-M Space Group: P1 HD View 3D View Crystal Details	4036254
			e_{1_}	0.13	-0.03	-0.03	-0.02	-0.04	-0.02	c_{1_}	21.99	11.66	13.51	1.86	0.42	0.84
			e_{2_}	0	-0.02	0.08	-0.06	-0.03	0.03	c_{2_}	11.66	18.98	6.89	1.49	-1.73	1.15
			e_{3_}	0.05	0	-0.14	0.02	0.02	-0.03	c_{3_}	13.51	6.89	23.66	-4.14	-1.07	-0.88
			d_{1_}	20.08	-8.39	-13.4	-15.7	-9.37	-2.56	c_{4_}	1.86	1.49	-4.14	5.22	1.53	1.21
			d_{2_}	0.23	-1.87	2.15	-10.61	-1.62	6.81	c_{5_}	0.42	-1.73	-1.07	1.53	5.92	-0.12
			d_{3_}	13.95	-1.42	-15.64	-12.48	1.44	-5.81	c_{6_}	0.84	1.15	-0.88	1.21	-0.12	6.4
411	Crystal Name: L-Aspartic acid Chemical Formula: C₄H₇NO₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2015971
			e_{1_}	0	0	0	0.13	0	-0.13	c_{1_}	46.92	19.17	19.64	0	-8.91	0
			e_{2_}	0.05	-0.01	-0.07	0	0.04	0	c_{2_}	19.17	31.88	14.14	0	-4.88	0
			e_{3_}	0	0	0	-0.03	0	0.02	c_{3_}	19.64	14.14	103.33	0	-29.23	0
			d_{1_}	0	0	0	8.52	0	-13.2	c_{4_}	0	0	0	16	0	0.32
			d_{2_}	2.19	-1.05	-0.27	0	2.56	0	c_{5_}	-8.91	-4.88	-29.23	0	17.77	0
			d_{3_}	0	0	0	-2.01	0	1.98	c_{6_}	0	0	0	0.32	0	10.29
412	Crystal Name: (E)-1-Naphthaldehyde oxime Chemical Formula: C₁₁H₉NO H-M Space Group: P2₁ HD View 3D View Crystal Details	2242380
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	20.27	13.24	14.47	0	-2.67	0
			e_{2_}	0	0.03	0.01	0	0.01	0	c_{2_}	13.24	17.32	14.53	0	2.19	0
			e_{3_}	0	0	0	-0.03	0	0	c_{3_}	14.47	14.53	14.44	0	-0.06	0
			d_{1_}	0	0	0	2.52	0	-0.36	c_{4_}	0	0	0	4.42	0	2.31
			d_{2_}	0.47	8.32	-8.33	0	-1.72	0	c_{5_}	-2.67	2.19	-0.06	0	5.57	0
			d_{3_}	0	0	0	-8.62	0	3.16	c_{6_}	0	0	0	2.31	0	4.85
413	Crystal Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid Chemical Formula: C₉H₁₁NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	1566834
			e_{1_}	0	0	0	0.02	0	0.03	c_{1_}	20.61	13.68	19.01	0	1.21	0
			e_{2_}	0.03	0.38	0.01	0	0.01	0	c_{2_}	13.68	50.32	13.63	0	2.17	0
			e_{3_}	0	0	0	0.03	0	0.03	c_{3_}	19.01	13.63	32.06	0	6.52	0
			d_{1_}	0	0	0	3.69	0	8.58	c_{4_}	0	0	0	2.98	0	0.88
			d_{2_}	-2.39	8.67	-1.97	0	0.43	0	c_{5_}	1.21	2.17	6.52	0	6.22	0
			d_{3_}	0	0	0	7.31	0	9.18	c_{6_}	0	0	0	0.88	0	2.59
414	Crystal Name: 4-aminopyridinium hydrogen maleate Chemical Formula: C₉H₁₀N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	4514132
			e_{1_}	0	0	0	0.02	0	0.08	c_{1_}	17.5	18.13	13.52	0	0.85	0
			e_{2_}	0.04	0.07	-0.07	0	0.03	0	c_{2_}	18.13	31.1	18.02	0	1.06	0
			e_{3_}	0	0	0	-0.01	0	-0.01	c_{3_}	13.52	18.02	35.67	0	-0.27	0
			d_{1_}	0	0	0	4.12	0	5.22	c_{4_}	0	0	0	4.4	0	0.13
			d_{2_}	0.85	3.77	-4.2	0	12.64	0	c_{5_}	0.85	1.06	-0.27	0	2.28	0
			d_{3_}	0	0	0	-1.13	0	-0.76	c_{6_}	0	0	0	0.13	0	15.62
415	Crystal Name: pyrone Chemical Formula: C₅H₄O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	2010290
			e_{1_}	0	0	0	0	0.04	0	c_{1_}	24.63	12.34	17.39	0	0	0
			e_{2_}	0	0	0	0.11	0	0	c_{2_}	12.34	14.35	9.39	0	0	0
			e_{3_}	0.08	0.01	0.16	0	0	0	c_{3_}	17.39	9.39	18.32	0	0	0
			d_{1_}	0	0	0	0	5.78	0	c_{4_}	0	0	0	4.13	0	0
			d_{2_}	0	0	0	25.5	0	0	c_{5_}	0	0	0	0	7.47	0
			d_{3_}	-6.59	-4.68	17.12	0	0	0	c_{6_}	0	0	0	0	0	2.4
416	Crystal Name: Substituted 1,3-dienes Chemical Formula: C₁₉H₂₀O₄ H-M Space Group: P1 HD View 3D View Crystal Details	1503104
			e_{1_}	0.11	-0.01	0.01	0	0.01	0.01	c_{1_}	17.48	9	8.41	1.01	0.58	1.2
			e_{2_}	0	0.01	0	-0.02	-0.01	0.07	c_{2_}	9	20.11	12.68	-2.33	1.2	1.15
			e_{3_}	0.02	0	-0.02	0.01	0.07	-0.02	c_{3_}	8.41	12.68	19.17	-2.94	1.14	-0.65
			d_{1_}	9.37	-3.17	-2.45	-2.35	6.7	-8.62	c_{4_}	1.01	-2.33	-2.94	9.37	-2.22	-1.16
			d_{2_}	43.99	45.87	-91.14	2.82	393.63	-538.66	c_{5_}	0.58	1.2	1.14	-2.22	3.79	2.73
			d_{3_}	-42.91	-44.72	88.19	-1.23	-380.06	542.38	c_{6_}	1.2	1.15	-0.65	-1.16	2.73	2.17
417	Crystal Name: graphene monoxide Chemical Formula: C₄O₄ H-M Space Group: C2₂2 HD View 3D View Crystal Details	1568395
			e_{1_}	0	0	0	0	0	0	c_{1_}	71.6	29.14	-0.34	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	29.14	48.56	-0.32	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	-0.34	-0.32	-0.43	0	0	0
			d_{1_}	0	0	0	-0.19	0	0	c_{4_}	0	0	0	-0.32	0	0
			d_{2_}	0	0	0	0	29.75	0	c_{5_}	0	0	0	0	-0.08	0
			d_{3_}	0	0	0	0	0	-0.31	c_{6_}	0	0	0	0	0	33.35
418	Crystal Name: Oxammite Chemical Formula: C₂H₁₀N₂O₅ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	9011128
			e_{1_}	0	0	0	-0.05	0	0	c_{1_}	62.53	26.36	21.56	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	26.36	62.91	25.85	0	0	0
			e_{3_}	0	0	0	0	0	-0.06	c_{3_}	21.56	25.85	37.25	0	0	0
			d_{1_}	0	0	0	-3.84	0	0	c_{4_}	0	0	0	12.45	0	0
			d_{2_}	0	0	0	0	0.54	0	c_{5_}	0	0	0	0	11.51	0
			d_{3_}	0	0	0	0	0	-3.73	c_{6_}	0	0	0	0	0	16.23
419	Crystal Name: 1-amino-5-methyltetrazole Chemical Formula: C₂H₅N₅ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7058949
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	11.04	8.34	6.76	0	0	0
			e_{2_}	0	0	0	0	-0.09	0	c_{2_}	8.34	8.39	5.14	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	6.76	5.14	28.33	0	0	0
			d_{1_}	0	0	0	-6.68	0	0	c_{4_}	0	0	0	4.41	0	0
			d_{2_}	0	0	0	0	-81.05	0	c_{5_}	0	0	0	0	1.13	0
			d_{3_}	0	0	0	0	0	-7.05	c_{6_}	0	0	0	0	0	6.27
420	Crystal Name: C6 H14 N2 Chemical Formula: (⁺^-)^-trans^-₁,₂^-Diaminocyclohexane H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	7206641
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	17.5	7.59	9.51	0	0	0
			e_{2_}	0	0	0	0	0.02	0	c_{2_}	7.59	24.09	2.69	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	9.51	2.69	22.29	0	0	0
			d_{1_}	0	0	0	-4.04	0	0	c_{4_}	0	0	0	3.83	0	0
			d_{2_}	0	0	0	0	3.52	0	c_{5_}	0	0	0	0	5.77	0
			d_{3_}	0	0	0	0	0	-3.53	c_{6_}	0	0	0	0	0	10.44
421	Crystal Name: 2-Methylbenzylammonium Formate Chemical Formula: C₉H₁₃NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7230287
			e_{1_}	0	0	0	0	0	-0.05	c_{1_}	37.47	10.31	8.63	0	0.64	0
			e_{2_}	-0.01	-0.07	0	0	0	0	c_{2_}	10.31	25.23	9.71	0	1.34	0
			e_{3_}	0	0	0	-0.02	0	-0.03	c_{3_}	8.63	9.71	17.68	0	1.24	0
			d_{1_}	0	0	0	-0.19	0	-24.67	c_{4_}	0	0	0	3.2	0	0.01
			d_{2_}	0.45	-3.81	1.85	0	-0.78	0	c_{5_}	0.64	1.34	1.24	0	1.63	0
			d_{3_}	0	0	0	-4.69	0	-12.98	c_{6_}	0	0	0	0.01	0	2.12
422	Crystal Name: 4-Cyano-1-methylpyridinium nitrate Chemical Formula: C₇H₇N₃O₃ H-M Space Group: Pmn2₁ HD View 3D View Crystal Details	2237865
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	33.37	9.96	14.7	0	0	0
			e_{2_}	0	0	0	-0.06	0	0	c_{2_}	9.96	12.92	9.46	0	0	0
			e_{3_}	0.06	0	-0.06	0	0	0	c_{3_}	14.7	9.46	23.9	0	0	0
			d_{1_}	0	0	0	0	11.67	0	c_{4_}	0	0	0	5.19	0	0
			d_{2_}	0	0	0	-10.73	0	0	c_{5_}	0	0	0	0	5.04	0
			d_{3_}	3.62	0.9	-4.96	0	0	0	c_{6_}	0	0	0	0	0	1.41
423	Crystal Name: S-(+)-2-methylpiperazine Chemical Formula: C₅H₁₂N₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2105466
			e_{1_}	0	0	0	-0.01	0	0.01	c_{1_}	23.84	3.42	1.66	0	-0.16	0
			e_{2_}	0	0.01	0.01	0	0	0	c_{2_}	3.42	16.52	1.45	0	-0.77	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	1.66	1.45	16.57	0	-0.03	0
			d_{1_}	0	0	0	-10.58	0	1.03	c_{4_}	0	0	0	0.55	0	0.15
			d_{2_}	0.06	0.5	0.5	0	0.18	0	c_{5_}	-0.16	-0.77	-0.03	0	3.32	0
			d_{3_}	0	0	0	7.55	0	0.48	c_{6_}	0	0	0	0.15	0	8.39
424	Crystal Name: 3-O-acetyl-2-deoxy-5-methoxymethyluridine Chemical Formula: C₁₃H₁₈N₂O₇ H-M Space Group: P1 HD View 3D View Crystal Details	2101110
			e_{1_}	-0.04	0	-0.05	0.01	0.01	-0.03	c_{1_}	23.3	8.72	14.96	-0.75	-7.21	0.04
			e_{2_}	-0.02	-0.01	0.04	0.01	-0.02	0.01	c_{2_}	8.72	31.38	11.24	0.45	-2.85	2.66
			e_{3_}	0.03	-0.05	0.02	-0.05	-0.07	-0.01	c_{3_}	14.96	11.24	18.2	3.17	-3.75	-3.32
			d_{1_}	4.49	4.98	-12.54	-1.29	0.74	-17.65	c_{4_}	-0.75	0.45	3.17	6.44	-0.66	-3.47
			d_{2_}	-10.03	-4.27	14.89	-0.35	-4.41	13.57	c_{5_}	-7.21	-2.85	-3.75	-0.66	10.61	-0.05
			d_{3_}	-5.74	-2.45	6.93	-16.83	-9.63	-6.91	c_{6_}	0.04	2.66	-3.32	-3.47	-0.05	5.06
425	Crystal Name: 4-methoxy-1-naphthol Chemical Formula: C₁₁H₁₀O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2017439
			e_{1_}	0	0	0	-0.01	0	0.03	c_{1_}	28.07	12.38	13.85	0	-4.85	0
			e_{2_}	0.02	0.06	0.04	0	-0.03	0	c_{2_}	12.38	15.98	12.23	0	3.15	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	13.85	12.23	16.54	0	-3.98	0
			d_{1_}	0	0	0	-3.69	0	5.11	c_{4_}	0	0	0	5.26	0	1.12
			d_{2_}	-13.33	59	-43.86	0	-56.37	0	c_{5_}	-4.85	3.15	-3.98	0	8.05	0
			d_{3_}	0	0	0	0.21	0	-0.38	c_{6_}	0	0	0	1.12	0	7.04

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!