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}
663	Crystal Name: DL-Propranolol hydrofluoride ('rac-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol hydrofluoride',) Chemical Formula: C₁₆H₂₂N₁O₂₁⁺,F₁₁^- H-M Space Group: P2₁ HD View 3D View Crystal Details	FEHXEW
			e_{1_}	0	0	0	0.04	0	0.07	c_{1_}	23.17	12.72	17.17	0	-4.46	0
			e_{2_}	0.01	0.01	-0.04	0	0.02	0	c_{2_}	12.72	22.24	12.67	0	2.91	0
			e_{3_}	0	0	0	0.03	0	0	c_{3_}	17.17	12.67	20.56	0	-3.26	0
			d_{1_}	0	0	0	6	0	16.06	c_{4_}	0	0	0	4.32	0	0.68
			d_{2_}	4.78	0.64	-5.84	0	1.9	0	c_{5_}	-4.46	2.91	-3.26	0	10.18	0
			d_{3_}	0	0	0	7.75	0	-2.11	c_{6_}	0	0	0	0.68	0	4.31
664	Crystal Name: (4R)-(+-)-4-((1R)-1,2-Dihydroxyethyl)-2,3-dihydroxy-2-cyclopenten-1-one ('rac-Carbaisoascorbic acid',) Chemical Formula: C₇H₁₀O₅ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	SUPVOO
			e_{1_}	0	0	0	0	0.11	0	c_{1_}	38.26	16.9	13.21	0	0	0
			e_{2_}	0	0	0	-0.02	0	0	c_{2_}	16.9	48.47	20.35	0	0	0
			e_{3_}	-0.05	-0.1	-0.06	0	0	0	c_{3_}	13.21	20.35	39.13	0	0	0
			d_{1_}	0	0	0	0	12.19	0	c_{4_}	0	0	0	11.83	0	0
			d_{2_}	0	0	0	-1.34	0	0	c_{5_}	0	0	0	0	8.79	0
			d_{3_}	-0.32	-1.79	-0.5	0	0	0	c_{6_}	0	0	0	0	0	11.23
665	Crystal Name: (+-)-(1R,2S,3aS,5R,6S,7aS)-Perhydro-1,2,5,6-indenetetrol Chemical Formula: C₉H₁₆O₄ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	CERMUH
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	26.25	13.36	20.57	0	0	0
			e_{2_}	0	0	0	0.02	0	0	c_{2_}	13.36	32.21	19.12	0	0	0
			e_{3_}	-0.01	0.01	0.02	0	0	0	c_{3_}	20.57	19.12	65.51	0	0	0
			d_{1_}	0	0	0	0	3.71	0	c_{4_}	0	0	0	4.65	0	0
			d_{2_}	0	0	0	3.38	0	0	c_{5_}	0	0	0	0	9.03	0
			d_{3_}	-0.99	0.41	0.49	0	0	0	c_{6_}	0	0	0	0	0	5.68
666	Crystal Name: 2-amino-5-{[amino(iminio)methyl]amino}pentanoate ('DL-Arginine',) Chemical Formula: C₆H₁₄N₄O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	GESTOQ
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	25.51	18.99	15.92	0	0	0
			e_{2_}	0	0	0	-0.01	0	0	c_{2_}	18.99	21.5	10.51	0	0	0
			e_{3_}	-0.03	-0.03	-0.03	0	0	0	c_{3_}	15.92	10.51	36.18	0	0	0
			d_{1_}	0	0	0	0	7.78	0	c_{4_}	0	0	0	1.83	0	0
			d_{2_}	0	0	0	-6.29	0	0	c_{5_}	0	0	0	0	2.95	0
			d_{3_}	-0.73	-0.52	-0.38	0	0	0	c_{6_}	0	0	0	0	0	11.27
667	Crystal Name: (+-)-1-Methyl-2-oxaspiro(bicyclo(2.2.1)heptane-7,1'-cyclopentane)-2',3-dione Chemical Formula: C₁₁H₁₄O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	JOHKIB
			e_{1_}	0	0	0	-0.07	0	0.05	c_{1_}	25.8	12.53	11.6	0	0.94	0
			e_{2_}	-0.01	0	-0.01	0	0.02	0	c_{2_}	12.53	27.01	10.45	0	1.01	0
			e_{3_}	0	0	0	-0.01	0	-0.03	c_{3_}	11.6	10.45	21.73	0	-3.34	0
			d_{1_}	0	0	0	-15.33	0	11.59	c_{4_}	0	0	0	5.77	0	1.2
			d_{2_}	-1.09	0.36	0.56	0	2.98	0	c_{5_}	0.94	1.01	-3.34	0	6.88	0
			d_{3_}	0	0	0	-0.96	0	-3.99	c_{6_}	0	0	0	1.2	0	5.98
668	Crystal Name: (+-)-5-fluoro-2-naphthyl 2-(6H,12H-5,11-methanoindolo[6,5-c][1,5]benzodiazocin-8-yl)-3-methylbenzoate Chemical Formula: C₃₅H₂₆F₁N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	GIPQUS
			e_{1_}	0	0	0	0	0	-0.02	c_{1_}	17.76	10.9	17.13	0	-3.18	0
			e_{2_}	-0.02	0	0.01	0	0	0	c_{2_}	10.9	17.1	10.85	0	0.09	0
			e_{3_}	0	0	0	-0.01	0	0.02	c_{3_}	17.13	10.85	22.05	0	-6.13	0
			d_{1_}	0	0	0	5.7	0	10.79	c_{4_}	0	0	0	2.56	0	-1.45
			d_{2_}	-5.62	-0.13	5.71	0	3.74	0	c_{5_}	-3.18	0.09	-6.13	0	4.81	0
			d_{3_}	0	0	0	-8.99	0	-6.69	c_{6_}	0	0	0	-1.45	0	-1.07
669	Crystal Name: (+-)-endo-1,2,3,4-tetrahydro-1,4-methanophenazin-2-yl acetate Chemical Formula: C₁₅H₁₄N₂O₂ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	UFANOF
			e_{1_}	0	0	0	0.02	0	0	c_{1_}	9.95	9.36	8.34	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	9.36	15.62	5.77	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	8.34	5.77	8.24	0	0	0
			d_{1_}	0	0	0	6.06	0	0	c_{4_}	0	0	0	2.79	0	0
			d_{2_}	0.04	-0.01	-0.03	0	1.91	0	c_{5_}	0	0	0	0	3.67	0
			d_{3_}	0	0	0	0	0	0.1	c_{6_}	0	0	0	0	0	3.21
670	Crystal Name: (+-)-2-(2,3-Dioxabicyclo[2.2.2]oct-7-en-5-yl)-1H-isoindole-1,3(2H)-dione ('N-(8,9-Dioxabicyclo[2.2.2]oct-5-en-2-yl)phthalimide',) Chemical Formula: C₁₄H₁₁N₁O₄ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	BADKOI
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	18.13	12.85	15.3	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	12.85	15.64	14.93	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	15.3	14.93	18.16	0	0	0
			d_{1_}	0	0	0	1.35	0	0	c_{4_}	0	0	0	5.27	0	0
			d_{2_}	0	0	0.01	0	0.36	0	c_{5_}	0	0	0	0	6.76	0
			d_{3_}	0	0	-0.01	0	0	1.13	c_{6_}	0	0	0	0	0	3.56
671	Crystal Name: 1-(1,3-Benzodioxol-5-yl)-N-ethyl-1-oxopropan-2-aminium chloride ('Ethylone hydrochloride', '(+-)-2-Ethylammonio-1-(3,4-methylenedioxyphenyl)propane-1-one chloride') Chemical Formula: C₁₂H₁₆N₁O₃₁⁺,Cl₁₁^- H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	GUBJOE01
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	18.4	11.81	12.8	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	11.81	18	20.95	0	0	0
			e_{3_}	0	0	0	0	0	-0.06	c_{3_}	12.8	20.95	40.94	0	0	0
			d_{1_}	0	0	0	-3.51	0	0	c_{4_}	0	0	0	8.99	0	0
			d_{2_}	0	0	0	0	-0.92	0	c_{5_}	0	0	0	0	2.44	0
			d_{3_}	0	0	0	0	0	-29.02	c_{6_}	0	0	0	0	0	2.22
672	Crystal Name: (+-)-trans-2-Methyl-5-phenylpyrrolidinium chloride Chemical Formula: C₁₁H₁₆N₁₁⁺,Cl₁₁^- H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	WEDYAG01
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	17.25	11.01	11.78	0	0	0
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	11.01	19.18	9.69	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	11.78	9.69	11.68	0	0	0
			d_{1_}	0	0	0	-3.54	0	0	c_{4_}	0	0	0	2.3	0	0
			d_{2_}	0	0	0	0	-2.48	0	c_{5_}	0	0	0	0	2.33	0
			d_{3_}	0	0	0	0	0	-6.98	c_{6_}	0	0	0	0	0	4.68

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!

Search Records