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}
593	Crystal Name: DL-alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: P2₁cn HD View 3D View Crystal Details	DLALNI07
			e_{1_}	-0.68	0.02	-0.02	0	0	0	c_{1_}	70.13	11.61	17.97	0	0	0
			e_{2_}	0	0	0	0	0	-0.15	c_{2_}	11.61	26.5	20.4	0	0	0
			e_{3_}	0	0	0	0	-0.07	0	c_{3_}	17.97	20.4	28.04	0	0	0
			d_{1_}	-11.26	1.45	5.31	0	0	0	c_{4_}	0	0	0	7.97	0	0
			d_{2_}	0	0	0	0	0	-15.9	c_{5_}	0	0	0	0	10.77	0
			d_{3_}	0	0	0	0	-6.05	0	c_{6_}	0	0	0	0	0	9.38
594	Crystal Name: (3β,3aβ,7β,8aα)-(+-)-6,6-(Ethylenedioxy)-3,8,8-trimethyl-1,2,3,3a,4,5,6,7,8,8a-decahydro-3a,7-(methano)azulen-2-one Chemical Formula: C₁₆H₂₄O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	TIJWIS
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	21.86	11.95	12.92	0	3.54	0
			e_{2_}	0.02	-0.02	0.02	0	-0.04	0	c_{2_}	11.95	17.17	12.13	0	-1.48	0
			e_{3_}	0	0	0	0.01	0	-0.02	c_{3_}	12.92	12.13	21.43	0	3.36	0
			d_{1_}	0	0	0	-1.3	0	0.3	c_{4_}	0	0	0	7.99	0	0.07
			d_{2_}	5.71	-11.23	6.79	0	-17.46	0	c_{5_}	3.54	-1.48	3.36	0	5.82	0
			d_{3_}	0	0	0	1.82	0	-2.65	c_{6_}	0	0	0	0.07	0	6.49
595	Crystal Name: DL-alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: P2₁cn HD View 3D View Crystal Details	DLALNI06
			e_{1_}	-0.68	0.02	-0.02	0	0	0	c_{1_}	70.55	11.59	17.96	0	0	0
			e_{2_}	0	0	0	0	0	-0.15	c_{2_}	11.59	27.16	20.61	0	0	0
			e_{3_}	0	0	0	0	-0.06	0	c_{3_}	17.96	20.61	28.39	0	0	0
			d_{1_}	-11.23	1.6	5.08	0	0	0	c_{4_}	0	0	0	8.07	0	0
			d_{2_}	0	0	0	0	0	-16.11	c_{5_}	0	0	0	0	10.77	0
			d_{3_}	0	0	0	0	-5.8	0	c_{6_}	0	0	0	0	0	9.37
596	Crystal Name: DL-alanine Chemical Formula: C₃H₇N₁O₂ H-M Space Group: P2₁cn HD View 3D View Crystal Details	DLALNI08
			e_{1_}	-0.65	0.02	-0.02	0	0	0	c_{1_}	70.28	11.53	17.44	0	0	0
			e_{2_}	0	0	0	0	0	-0.15	c_{2_}	11.53	23.47	18.93	0	0	0
			e_{3_}	0	0	0	0	-0.06	0	c_{3_}	17.44	18.93	26.25	0	0	0
			d_{1_}	-10.85	2.48	4.59	0	0	0	c_{4_}	0	0	0	7.24	0	0
			d_{2_}	0	0	0	0	0	-16.95	c_{5_}	0	0	0	0	10.58	0
			d_{3_}	0	0	0	0	-6.06	0	c_{6_}	0	0	0	0	0	9.14
597	Crystal Name: Diammonium O-phospho-DL-threoninate Chemical Formula: ₂(H₄N₁₁⁺),C₄H₈N₁O₆P₁₂^- H-M Space Group: Pca2₁ HD View 3D View Crystal Details	GEJKUC
			e_{1_}	0	0	0	0	-0.01	0	c_{1_}	49.43	17.35	26.56	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	17.35	51.47	14.27	0	0	0
			e_{3_}	0.14	0.11	-0.34	0	0	0	c_{3_}	26.56	14.27	53.9	0	0	0
			d_{1_}	0	0	0	0	-0.69	0	c_{4_}	0	0	0	7.64	0	0
			d_{2_}	0	0	0	1.34	0	0	c_{5_}	0	0	0	0	15.84	0
			d_{3_}	7.86	2.42	-10.83	0	0	0	c_{6_}	0	0	0	0	0	4.65
598	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI21
			e_{1_}	0	0	0	0	0.05	0	c_{1_}	33.21	22.66	17.82	0	0	0
			e_{2_}	0	0	0	0.16	0	0	c_{2_}	22.66	34.91	9.22	0	0	0
			e_{3_}	0.03	-0.01	0.67	0	0	0	c_{3_}	17.82	9.22	70.31	0	0	0
			d_{1_}	0	0	0	0	4.84	0	c_{4_}	0	0	0	9.53	0	0
			d_{2_}	0	0	0	16.48	0	0	c_{5_}	0	0	0	0	11.15	0
			d_{3_}	-4.69	-0.06	10.74	0	0	0	c_{6_}	0	0	0	0	0	11.19
599	Crystal Name: N-Methyl-DL-aspartic acid monohydrate Chemical Formula: C₅H₉N₁O₄,H₂O₁ H-M Space Group: Cc HD View 3D View Crystal Details	WOCVOZ
			e_{1_}	0.21	0.21	-0.06	0	-0.04	0	c_{1_}	32.9	16.17	26.15	0	-6.26	0
			e_{2_}	0	0	0	-0.02	0	0.17	c_{2_}	16.17	25.9	11.03	0	-1.91	0
			e_{3_}	-0.07	0.1	-0.32	0	0.12	0	c_{3_}	26.15	11.03	55.97	0	-20.94	0
			d_{1_}	10.54	5.32	-11.23	0	-11	0	c_{4_}	0	0	0	8.99	0	-0.73
			d_{2_}	0	0	0	-0.69	0	19.53	c_{5_}	-6.26	-1.91	-20.94	0	18.22	0
			d_{3_}	0.73	6.6	-7.89	0	-1.61	0	c_{6_}	0	0	0	-0.73	0	8.74
600	Crystal Name: N-Carboxy-DL-valine anhydride ('DL-valine NCA',) Chemical Formula: C₆H₉N₁O₃ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	WIKCUO
			e_{1_}	0	0	0	0	0.07	0	c_{1_}	16.37	9.02	7.4	0	0	0
			e_{2_}	0	0	0	-0.08	0	0	c_{2_}	9.02	16.76	7.57	0	0	0
			e_{3_}	-0.02	0	0.16	0	0	0	c_{3_}	7.4	7.57	21.49	0	0	0
			d_{1_}	0	0	0	0	16.66	0	c_{4_}	0	0	0	2.88	0	0
			d_{2_}	0	0	0	-29.37	0	0	c_{5_}	0	0	0	0	3.99	0
			d_{3_}	-4.89	-1.54	9.76	0	0	0	c_{6_}	0	0	0	0	0	2.6
601	Crystal Name: (+-)-syn-(6-Methoxy-2a,3,4,5-tetrahydro-2H-naphtho(1,8-bc)furan-5-yl)ammoniomethane chloride Chemical Formula: C₁₃H₁₈N₁O₂₁⁺,Cl₁₁^- H-M Space Group: Pna2₁ HD View 3D View Crystal Details	AZUSIX
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	16	12.99	10.71	0	0	0
			e_{2_}	0	0	0	0.03	0	0	c_{2_}	12.99	21.62	15.63	0	0	0
			e_{3_}	0.04	0.01	-0.07	0	0	0	c_{3_}	10.71	15.63	19.82	0	0	0
			d_{1_}	0	0	0	0	6.2	0	c_{4_}	0	0	0	6.96	0	0
			d_{2_}	0	0	0	4.33	0	0	c_{5_}	0	0	0	0	4.82	0
			d_{3_}	5.91	4.05	-9.68	0	0	0	c_{6_}	0	0	0	0	0	5.71
602	Crystal Name: DL-Homocysteine thiolactone hydrochloride Chemical Formula: C₄H₈N₁O₁S₁₁⁺,Cl₁₁^- H-M Space Group: Pbc2₁ HD View 3D View Crystal Details	HOCYSL
			e_{1_}	0	0	0	0	-0.09	0	c_{1_}	26.21	13.78	7.03	0	0	0
			e_{2_}	0	0	0	-0.1	0	0	c_{2_}	13.78	28.84	11.24	0	0	0
			e_{3_}	-0.09	-0.06	-0.16	0	0	0	c_{3_}	7.03	11.24	18.57	0	0	0
			d_{1_}	0	0	0	0	-24.18	0	c_{4_}	0	0	0	6.68	0	0
			d_{2_}	0	0	0	-15.19	0	0	c_{5_}	0	0	0	0	3.65	0
			d_{3_}	-2.26	2.77	-9.58	0	0	0	c_{6_}	0	0	0	0	0	10.58

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