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}
673	Crystal Name: (+-)-(7aR,10aR)-7a-Methyl-7a,10a-dihydrofuro[3,2-b]naphtho[1,2-d]furan-9(8H)-one Chemical Formula: C₁₅H₁₂O₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	FOLQUT
			e_{1_}	0	0	0	0.03	0	0	c_{1_}	18.12	11.4	12.1	0	0	0
			e_{2_}	0	0	0	0	0.02	0	c_{2_}	11.4	19.24	13.45	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	12.1	13.45	18.91	0	0	0
			d_{1_}	0	0	0	17.43	0	0	c_{4_}	0	0	0	1.94	0	0
			d_{2_}	0	0	0	0	5.47	0	c_{5_}	0	0	0	0	3.99	0
			d_{3_}	0	0	0	0	0	3.92	c_{6_}	0	0	0	0	0	2.63
674	Crystal Name: (+-)-endo-3-Methylene-2-(phenylsulfonyl)bicyclo(2.2.1)hept-5-ene Chemical Formula: C₁₄H₁₄O₂S₁ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	GOMGUK
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	20.02	9.7	13.09	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	9.7	16.47	9.43	0	0	0
			e_{3_}	0	0	0	0	0	0.03	c_{3_}	13.09	9.43	14.8	0	0	0
			d_{1_}	0	0	0	3.29	0	0	c_{4_}	0	0	0	2.74	0	0
			d_{2_}	0	0	0	0	-1.05	0	c_{5_}	0	0	0	0	5.82	0
			d_{3_}	0	0	0	0	0	5.98	c_{6_}	0	0	0	0	0	5.21
675	Crystal Name: rac-(+-)-4-O-Methanesulfonyl-myo-inositol 1,3,5-orthoformate Chemical Formula: C₈H₁₂O₈S₁ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	LABXES
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	22.94	9.9	15.57	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	9.9	20.98	14.91	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	15.57	14.91	33.6	0	0	0
			d_{1_}	0	0	0	-1.62	0	0	c_{4_}	0	0	0	15.86	0	0
			d_{2_}	0	0	0	0	-0.48	0	c_{5_}	0	0	0	0	13.58	0
			d_{3_}	0	0	0	0	0	0.96	c_{6_}	0	0	0	0	0	7.81
676	Crystal Name: (+-)-(3R,5R)-3-(4-nitrophenyl)-2-oxaspiro[4.4]nonan-6-one Chemical Formula: C₁₄H₁₅N₁O₄ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	CURFIF
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	23.2	9.31	13.83	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	9.31	17.46	7.78	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	13.83	7.78	15.52	0	0	0
			d_{1_}	0	0	0	6.28	0	0	c_{4_}	0	0	0	2.85	0	0
			d_{2_}	0	0	0	0	1.02	0	c_{5_}	0	0	0	0	11.59	0
			d_{3_}	0	0	0	0	0	-1.18	c_{6_}	0	0	0	0	0	2.96
677	Crystal Name: (+-)-exo-3-Methylene-2-(phenylsulfonyl)bicyclo(2.2.1)hept-5-ene Chemical Formula: C₁₄H₁₄O₂S₁ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	GOMHAR
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	20.29	5.77	7.74	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	5.77	22.05	9.77	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	7.74	9.77	17.6	0	0	0
			d_{1_}	0	0	0	-2.91	0	0	c_{4_}	0	0	0	6.03	0	0
			d_{2_}	0	0	0	0	0.52	0	c_{5_}	0	0	0	0	5.56	0
			d_{3_}	0	0	0	0	0	-1.09	c_{6_}	0	0	0	0	0	5.03
678	Crystal Name: S-Nitrosoacetyl-DL-penicillamine Chemical Formula: C₇H₁₂N₂O₄S₁ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	APENTN02
			e_{1_}	0	0	0	0	0	0	c_{1_}	24.64	7.4	6.13	0	0	0
			e_{2_}	0	0	0	0	0.05	0	c_{2_}	7.4	26.93	10.32	0	0	0
			e_{3_}	0	0	0	0	0	0.02	c_{3_}	6.13	10.32	17.35	0	0	0
			d_{1_}	0	0	0	0.2	0	0	c_{4_}	0	0	0	5.65	0	0
			d_{2_}	0	0	0	0	35.6	0	c_{5_}	0	0	0	0	1.54	0
			d_{3_}	0	0	0	0	0	2.21	c_{6_}	0	0	0	0	0	11.23
679	Crystal Name: (+-)-2-exo-Hydroxy-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-exo-carboxylic acid Chemical Formula: C₈H₈O₆ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	VEBTIG
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	33.2	14.89	18.62	0	0	0
			e_{2_}	0	0	0	0	-0.03	0	c_{2_}	14.89	32.16	14.25	0	0	0
			e_{3_}	0	0	0	0	0	0.01	c_{3_}	18.62	14.25	20.95	0	0	0
			d_{1_}	0	0	0	0.62	0	0	c_{4_}	0	0	0	10.67	0	0
			d_{2_}	0	0	0	0	-2.57	0	c_{5_}	0	0	0	0	13.48	0
			d_{3_}	0	0	0	0	0	1.19	c_{6_}	0	0	0	0	0	6.15
680	Crystal Name: (+-)-cis-2-Benzylcyclopenta(c)pyrazole-4,6-dimethanol Chemical Formula: C₁₅H₁₈N₂O₂ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	NAPNUO
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	10.74	7.05	9.33	0	0	0
			e_{2_}	0	0	0	0	0.03	0	c_{2_}	7.05	31.71	15.11	0	0	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	9.33	15.11	22.8	0	0	0
			d_{1_}	0	0	0	-1.83	0	0	c_{4_}	0	0	0	9.33	0	0
			d_{2_}	0	0	0	0	8.61	0	c_{5_}	0	0	0	0	3.39	0
			d_{3_}	0	0	0	0	0	-4.17	c_{6_}	0	0	0	0	0	3.19
681	Crystal Name: (R)-(+-)-Dimethyl-(1-methyl-2-oxo-2-phenylethyl)-sulfonium bromide monohydrate Chemical Formula: C₁₁H₁₅O₁S₁₁⁺,Br₁₁^-,H₂O₁ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	CAKZOD
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	25.73	10.89	12.47	0	0	0
			e_{2_}	0	0	0	0	-0.02	0	c_{2_}	10.89	17.02	10.78	0	0	0
			e_{3_}	0	0	0	0	0	0.02	c_{3_}	12.47	10.78	16.66	0	0	0
			d_{1_}	0	0	0	-3.94	0	0	c_{4_}	0	0	0	3.82	0	0
			d_{2_}	0	0	0	0	-2.77	0	c_{5_}	0	0	0	0	8.02	0
			d_{3_}	0	0	0	0	0	5.13	c_{6_}	0	0	0	0	0	3.46
682	Crystal Name: (+-)-(2R,4aR)-2-((4-Methoxybenzyl)oxy)perhydroazeto(1,2-b)(1,2)oxazin-6-one Chemical Formula: C₁₄H₁₇N₁O₄ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	GAHGOM
			e_{1_}	0	0	0	0	0	0	c_{1_}	14.75	10.91	9.03	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	10.91	32.59	4	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	9.03	4	12.07	0	0	0
			d_{1_}	0	0	0	-1.22	0	0	c_{4_}	0	0	0	2.59	0	0
			d_{2_}	0	0	0	0	1.52	0	c_{5_}	0	0	0	0	3.36	0
			d_{3_}	0	0	0	0	0	-0.46	c_{6_}	0	0	0	0	0	7.19

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