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}
613	Crystal Name: (+-)-3-(Diphenylacetoxy)-1-azabicyclo(2.2.2)octane-3-carboxylic acid hydrochloride Chemical Formula: C₂₂H₂₄N₁O₄₁⁺,Cl₁₁^- H-M Space Group: P2₁ HD View 3D View Crystal Details	WOXTAE
			e_{1_}	0	0	0	0	0	-0.03	c_{1_}	20.75	12.8	12.09	0	1.51	0
			e_{2_}	-0.07	0.02	0.03	0	0.01	0	c_{2_}	12.8	16.91	10.39	0	-0.57	0
			e_{3_}	0	0	0	0.03	0	0.05	c_{3_}	12.09	10.39	15.85	0	-1.63	0
			d_{1_}	0	0	0	1.88	0	-8.62	c_{4_}	0	0	0	5.89	0	1.11
			d_{2_}	-14.1	6.68	9.46	0	12.66	0	c_{5_}	1.51	-0.57	-1.63	0	3.87	0
			d_{3_}	0	0	0	1.98	0	13.23	c_{6_}	0	0	0	1.11	0	3.92
614	Crystal Name: dl-2,3-Diacetoxy-dimethylsuccinate Chemical Formula: C₁₀H₁₄O₈ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	CAHVUC
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	22.36	9.7	6.89	0	0	0
			e_{2_}	0	0	0	-0.04	0	0	c_{2_}	9.7	15.21	8.78	0	0	0
			e_{3_}	0.08	0.1	0.02	0	0	0	c_{3_}	6.89	8.78	10.9	0	0	0
			d_{1_}	0	0	0	0	5.91	0	c_{4_}	0	0	0	2.15	0	0
			d_{2_}	0	0	0	-16.29	0	0	c_{5_}	0	0	0	0	2.92	0
			d_{3_}	1.35	9.14	-6.19	0	0	0	c_{6_}	0	0	0	0	0	3.44
615	Crystal Name: (+-)-trans-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol ('rac-trans-Sobrerol',) Chemical Formula: C₁₀H₁₈O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	KOTDUS
			e_{1_}	0	0	0	0	0	0	c_{1_}	19.06	10.55	13.69	0	0	0
			e_{2_}	0	0	0	0.02	0	0	c_{2_}	10.55	18.57	10.7	0	0	0
			e_{3_}	-0.01	0.02	0.24	0	0	0	c_{3_}	13.69	10.7	49.59	0	0	0
			d_{1_}	0	0	0	0	-0.29	0	c_{4_}	0	0	0	2.72	0	0
			d_{2_}	0	0	0	5.68	0	0	c_{5_}	0	0	0	0	4.22	0
			d_{3_}	-5.09	0.65	6.16	0	0	0	c_{6_}	0	0	0	0	0	2.26
616	Crystal Name: dl-1,1'-bis((t-Butylmethylamino)carbonyl)-3,3'-dimethoxy-2,2'-biphenyl Chemical Formula: C₂₆H₃₆N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	NURHOY
			e_{1_}	0	0	0	-0.02	0	0.03	c_{1_}	19.4	8.64	10.81	0	-2.9	0
			e_{2_}	0.03	0.05	0.01	0	-0.01	0	c_{2_}	8.64	15.48	10.01	0	-1.11	0
			e_{3_}	0	0	0	0.03	0	0.01	c_{3_}	10.81	10.01	12.59	0	-0.25	0
			d_{1_}	0	0	0	-1.32	0	7.92	c_{4_}	0	0	0	5.45	0	-1.29
			d_{2_}	2.2	6.1	-6.31	0	0.02	0	c_{5_}	-2.9	-1.11	-0.25	0	5.65	0
			d_{3_}	0	0	0	7.06	0	3.95	c_{6_}	0	0	0	-1.29	0	3.91
617	Crystal Name: (+-)-Methyl 2-(2-oxo-5-phenyltetrahydrofuran-3-yl)propanoate Chemical Formula: C₁₄H₁₆O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	PEXLOU
			e_{1_}	0	0	0	0	0	0	c_{1_}	17	12.05	13.66	0	-1.23	0
			e_{2_}	0.02	-0.03	-0.01	0	0	0	c_{2_}	12.05	15.65	10.53	0	1.86	0
			e_{3_}	0	0	0	0.01	0	-0.01	c_{3_}	13.66	10.53	23.93	0	-4.79	0
			d_{1_}	0	0	0	-1.44	0	0.45	c_{4_}	0	0	0	2.38	0	2.53
			d_{2_}	5.62	-5.91	-0.48	0	2.09	0	c_{5_}	-1.23	1.86	-4.79	0	7.36	0
			d_{3_}	0	0	0	9.92	0	-5.43	c_{6_}	0	0	0	2.53	0	6.6
618	Crystal Name: (2β,3aβ,7aβ)-(+-)-3a,4,5,7a,3',4',5',6'-Octahydro-3-oxospiro(benzofuran-2(3H),2'-(2H)-pyran) Chemical Formula: C₁₂H₁₆O₃ H-M Space Group: Pn HD View 3D View Crystal Details	DIHWUM
			e_{1_}	-0.01	0	0.04	0	-0.01	0	c_{1_}	18.99	9.77	9.15	0	0.05	0
			e_{2_}	0	0	0	0	0	-0.01	c_{2_}	9.77	19.15	9.72	0	-0.77	0
			e_{3_}	0.02	0.01	-0.1	0	0.02	0	c_{3_}	9.15	9.72	24.75	0	-2.61	0
			d_{1_}	-1.18	-0.28	2.2	0	-0.12	0	c_{4_}	0	0	0	6.33	0	0.76
			d_{2_}	0	0	0	0.07	0	-1.31	c_{5_}	0.05	-0.77	-2.61	0	4.71	0
			d_{3_}	2.88	2.3	-5.89	0	0.35	0	c_{6_}	0	0	0	0.76	0	6.07
619	Crystal Name: 3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane 3-carboxy-2-hydroxypropanoate ('Hexamethylenetetramine hydrogen DL-malate',) Chemical Formula: C₆H₁₃N₄₁⁺,C₄H₅O₅₁^- H-M Space Group: Cc HD View 3D View Crystal Details	TOZTAF
			e_{1_}	-0.07	-0.07	-0.08	0	-0.06	0	c_{1_}	27.09	8.95	13.35	0	6.56	0
			e_{2_}	0	0	0	0.06	0	-0.06	c_{2_}	8.95	34.64	9.76	0	-2.59	0
			e_{3_}	-0.03	0.06	0.07	0	-0.08	0	c_{3_}	13.35	9.76	27.05	0	7.03	0
			d_{1_}	-0.46	-1.92	-1.04	0	-4.35	0	c_{4_}	0	0	0	11.33	0	0.33
			d_{2_}	0	0	0	5.56	0	-6.35	c_{5_}	6.56	-2.59	7.03	0	11.5	0
			d_{3_}	-1.37	-0.27	5.85	0	-10.17	0	c_{6_}	0	0	0	0.33	0	10.2
620	Crystal Name: (+-)-(1S,2R,3R,11bR)-1'-methyl-1-nitro-2-phenyl-1,6,7,11b-tetrahydro-2H,2'H-spiro[pyrido[2,1-a]isoquinoline-3,3'-pyrrolidine]-2',4-dione Chemical Formula: C₂₃H₂₃N₃O₄ H-M Space Group: Pn HD View 3D View Crystal Details	XESMEP
			e_{1_}	0.01	0.09	0.1	0	0	0	c_{1_}	21.89	12.75	9.61	0	-1.89	0
			e_{2_}	0	0	0	0.02	0	-0.03	c_{2_}	12.75	22.78	9.76	0	1.56	0
			e_{3_}	0.03	0.04	0.04	0	0	0	c_{3_}	9.61	9.76	21.48	0	2.88	0
			d_{1_}	-5.73	4.93	5.96	0	-7.35	0	c_{4_}	0	0	0	6.2	0	0.75
			d_{2_}	0	0	0	4.15	0	-6.95	c_{5_}	-1.89	1.56	2.88	0	5.19	0
			d_{3_}	-0.2	1.33	1.64	0	-1.41	0	c_{6_}	0	0	0	0.75	0	4.16
621	Crystal Name: (+-)-t-Butyl (S)-1-(1-cyanovinyl)-2-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate Chemical Formula: C₁₈H₁₉N₁O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	VILPEM
			e_{1_}	0	0	0	0.02	0	0.02	c_{1_}	17.41	9.33	11.12	0	-0.92	0
			e_{2_}	0.04	-0.06	-0.01	0	0.04	0	c_{2_}	9.33	22.13	8.98	0	1.04	0
			e_{3_}	0	0	0	-0.03	0	0	c_{3_}	11.12	8.98	17.12	0	-2.09	0
			d_{1_}	0	0	0	1.27	0	8.88	c_{4_}	0	0	0	5.01	0	1.38
			d_{2_}	6.25	-5.72	-0.19	0	14.12	0	c_{5_}	-0.92	1.04	-2.09	0	3.4	0
			d_{3_}	0	0	0	-8.47	0	8.59	c_{6_}	0	0	0	1.38	0	1.81
622	Crystal Name: (3RS,4SR)-4-Hydroxy-piperidine-3-carboxylic acid ('(+-)-cis-4-Hydroxynipecotic acid',) Chemical Formula: C₆H₁₁N₁O₃ H-M Space Group: Cc HD View 3D View Crystal Details	HXNIPA10
			e_{1_}	-0.17	-0.03	-0.02	0	0.1	0	c_{1_}	37.49	25.32	16.12	0	-3.51	0
			e_{2_}	0	0	0	0.09	0	-0.14	c_{2_}	25.32	74.73	19.03	0	-1.87	0
			e_{3_}	0.12	0.26	-0.01	0	-0.09	0	c_{3_}	16.12	19.03	34.28	0	-5.86	0
			d_{1_}	-5.55	0.78	3.55	0	10.92	0	c_{4_}	0	0	0	11	0	-3.25
			d_{2_}	0	0	0	5.21	0	-9.63	c_{5_}	-3.51	-1.87	-5.86	0	9.87	0
			d_{3_}	1.79	3.88	-5.22	0	-10.49	0	c_{6_}	0	0	0	-3.25	0	13.26

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