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}
583	Crystal Name: DL-Alanine ('2-aminopropanoic acid',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI04
			e_{1_}	0	0	0	0	-0.06	0	c_{1_}	27.89	19.85	18.33	0	0	0
			e_{2_}	0	0	0	-0.15	0	0	c_{2_}	19.85	27.93	11.28	0	0	0
			e_{3_}	-0.03	0.01	-0.69	0	0	0	c_{3_}	18.33	11.28	68.8	0	0	0
			d_{1_}	0	0	0	0	-5.21	0	c_{4_}	0	0	0	9.45	0	0
			d_{2_}	0	0	0	-15.84	0	0	c_{5_}	0	0	0	0	10.82	0
			d_{3_}	5.82	1.09	-11.71	0	0	0	c_{6_}	0	0	0	0	0	8.47
584	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI10
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	26.87	18.32	17.41	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	18.32	23.67	9.2	0	0	0
			e_{3_}	0.03	-0.02	0.68	0	0	0	c_{3_}	17.41	9.2	67.9	0	0	0
			d_{1_}	0	0	0	0	5.73	0	c_{4_}	0	0	0	9.39	0	0
			d_{2_}	0	0	0	16.36	0	0	c_{5_}	0	0	0	0	10.99	0
			d_{3_}	-6.47	-0.2	11.69	0	0	0	c_{6_}	0	0	0	0	0	8.35
585	Crystal Name: DL-Histidine acetic acid solvate dihydrate Chemical Formula: C₆H₉N₃O₂,C₂H₄O₂,₂(H₂O₁) H-M Space Group: P1 HD View 3D View Crystal Details	MENFIX
			e_{1_}	-0.04	0.05	-0.08	-0.01	-0.02	0	c_{1_}	10.52	6.5	8.68	1.67	0.16	2.57
			e_{2_}	-0.02	-0.06	-0.17	-0.03	-0.02	0.03	c_{2_}	6.5	8.79	10.44	1.79	1.59	1.42
			e_{3_}	0.03	0.09	-0.15	0.11	-0.12	0	c_{3_}	8.68	10.44	37.51	5.33	8.35	1.06
			d_{1_}	-11.68	19.94	-4.54	0.91	-2.19	-2.68	c_{4_}	1.67	1.79	5.33	7.91	1.06	2.87
			d_{2_}	13.45	-6.18	-11.92	2.21	26.91	-8.66	c_{5_}	0.16	1.59	8.35	1.06	3.44	0.35
			d_{3_}	-23.94	27	7.08	12.28	-68.16	12.99	c_{6_}	2.57	1.42	1.06	2.87	0.35	0.07
586	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI11
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	28.54	19.72	17.74	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	19.72	26.85	9.39	0	0	0
			e_{3_}	0.03	-0.01	0.69	0	0	0	c_{3_}	17.74	9.39	68.73	0	0	0
			d_{1_}	0	0	0	0	5.68	0	c_{4_}	0	0	0	9.53	0	0
			d_{2_}	0	0	0	15.67	0	0	c_{5_}	0	0	0	0	11.09	0
			d_{3_}	-6.35	0.05	11.63	0	0	0	c_{6_}	0	0	0	0	0	9.15
587	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI13
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.01	21.17	18.13	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.17	30.78	9.22	0	0	0
			e_{3_}	0.04	-0.01	0.69	0	0	0	c_{3_}	18.13	9.22	68.52	0	0	0
			d_{1_}	0	0	0	0	5.14	0	c_{4_}	0	0	0	9.64	0	0
			d_{2_}	0	0	0	15.73	0	0	c_{5_}	0	0	0	0	11.16	0
			d_{3_}	-5.73	0.16	11.56	0	0	0	c_{6_}	0	0	0	0	0	9.94
588	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI15
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.36	21.4	18.16	0	0	0
			e_{2_}	0	0	0	0.16	0	0	c_{2_}	21.4	30.82	9.32	0	0	0
			e_{3_}	0.04	-0.01	0.69	0	0	0	c_{3_}	18.16	9.32	68.48	0	0	0
			d_{1_}	0	0	0	0	5.36	0	c_{4_}	0	0	0	9.45	0	0
			d_{2_}	0	0	0	16.53	0	0	c_{5_}	0	0	0	0	11.14	0
			d_{3_}	-5.55	0.08	11.5	0	0	0	c_{6_}	0	0	0	0	0	10.03
589	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI09
			e_{1_}	0	0	0	0	0.07	0	c_{1_}	26.18	16.87	17.22	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	16.87	20.73	8.97	0	0	0
			e_{3_}	0.02	-0.02	0.67	0	0	0	c_{3_}	17.22	8.97	67.97	0	0	0
			d_{1_}	0	0	0	0	6.11	0	c_{4_}	0	0	0	9.47	0	0
			d_{2_}	0	0	0	15.99	0	0	c_{5_}	0	0	0	0	10.85	0
			d_{3_}	-5.86	-1.14	11.47	0	0	0	c_{6_}	0	0	0	0	0	7.73
590	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI12
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	29.99	20.48	17.81	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	20.48	29.17	9.01	0	0	0
			e_{3_}	0.03	-0.01	0.68	0	0	0	c_{3_}	17.81	9.01	68.89	0	0	0
			d_{1_}	0	0	0	0	5.28	0	c_{4_}	0	0	0	9.58	0	0
			d_{2_}	0	0	0	15.6	0	0	c_{5_}	0	0	0	0	11.08	0
			d_{3_}	-5.99	0.23	11.46	0	0	0	c_{6_}	0	0	0	0	0	9.73
591	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI14
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	31.42	21.38	18.27	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.38	30.84	9.25	0	0	0
			e_{3_}	0.03	-0.01	0.69	0	0	0	c_{3_}	18.27	9.25	69.04	0	0	0
			d_{1_}	0	0	0	0	5.32	0	c_{4_}	0	0	0	9.55	0	0
			d_{2_}	0	0	0	16	0	0	c_{5_}	0	0	0	0	11.12	0
			d_{3_}	-5.6	0.12	11.39	0	0	0	c_{6_}	0	0	0	0	0	10.03
592	Crystal Name: DL-Alanine ('2-Ammoniopropanoate',) Chemical Formula: C₃H₇N₁O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	DLALNI18
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	32.57	21.9	18.09	0	0	0
			e_{2_}	0	0	0	0.15	0	0	c_{2_}	21.9	33.27	9.01	0	0	0
			e_{3_}	0.03	-0.01	0.68	0	0	0	c_{3_}	18.09	9.01	69.11	0	0	0
			d_{1_}	0	0	0	0	4.99	0	c_{4_}	0	0	0	9.56	0	0
			d_{2_}	0	0	0	16.01	0	0	c_{5_}	0	0	0	0	11.21	0
			d_{3_}	-5.37	0.14	11.27	0	0	0	c_{6_}	0	0	0	0	0	10.77

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