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}
351	Crystal Name: 1,1,3,3-Tetramethylbutylammonium malate Chemical Formula: C₁₂H₂₅NO₅ H-M Space Group: P1 HD View 3D View Crystal Details	1519904
			e_{1_}	-0.04	0	-0.01	0.01	-0.03	0	c_{1_}	19.31	13.64	7.54	-0.39	0.81	-0.18
			e_{2_}	0.01	0.08	-0.02	0.01	0	0.02	c_{2_}	13.64	57.19	9.6	-1.54	-1.32	-8.77
			e_{3_}	-0.03	-0.07	0	-0.03	-0.02	0.03	c_{3_}	7.54	9.6	15.52	-1.24	0.37	1.11
			d_{1_}	-1.36	0.83	1.97	29.2	-29.33	5.24	c_{4_}	-0.39	-1.54	-1.24	3.39	2.66	-0.57
			d_{2_}	0.2	3.2	-3.27	8.02	-5.2	7.67	c_{5_}	0.81	-1.32	0.37	2.66	3.62	0.46
			d_{3_}	-1.57	-0.88	0.65	-9.32	0.64	1.57	c_{6_}	-0.18	-8.77	1.11	-0.57	0.46	7.61
352	Crystal Name: (Z)-8-chlorofenchone oxime Chemical Formula: C₁₀H₁₆ClNO H-M Space Group: P2₁ HD View 3D View Crystal Details	1559512
			e_{1_}	0	0	0	0.14	0	-0.03	c_{1_}	116.4	1.71	33.09	0	-21.76	0
			e_{2_}	-0.11	-0.08	-0.12	0	0.1	0	c_{2_}	1.71	1.43	-14.02	0	-2.03	0
			e_{3_}	0	0	0	0.07	0	0.08	c_{3_}	33.09	-14.02	145.95	0	-54.23	0
			d_{1_}	0	0	0	-27.11	0	-44.63	c_{4_}	0	0	0	-3.2	0	-1.23
			d_{2_}	-0.03	7.51	4.51	0	12.31	0	c_{5_}	-21.76	-2.03	-54.23	0	29.27	0
			d_{3_}	0	0	0	-32.23	0	29.79	c_{6_}	0	0	0	-1.23	0	1.35
353	Crystal Name: (-)-1-Benzyl-4-[1(S)-phenylethylamino]-5,6-dihydropyridin-2(1H)-one Chemical Formula: C₂₀H₂₂N₂O H-M Space Group: P1 HD View 3D View Crystal Details	2206671
			e_{1_}	0.05	0.02	0.01	-0.02	-0.02	0.01	c_{1_}	12.17	11.56	8.26	-0.31	1.44	-0.63
			e_{2_}	-0.06	-0.16	0.02	0.01	-0.03	0.1	c_{2_}	11.56	20.52	9.44	1.61	0.71	-3.17
			e_{3_}	0	-0.02	0.01	0.01	0.04	-0.01	c_{3_}	8.26	9.44	14.03	0.5	0.29	0.16
			d_{1_}	9.45	-2.65	-2.55	-2.53	-9.21	-0.9	c_{4_}	-0.31	1.61	0.5	7.03	-0.91	0.62
			d_{2_}	-0.88	-8.41	7.28	2.2	0.3	15.03	c_{5_}	1.44	0.71	0.29	-0.91	3.55	-1.5
			d_{3_}	-1.04	-2.38	2.57	3.52	13.44	-0.22	c_{6_}	-0.63	-3.17	0.16	0.62	-1.5	4.79
354	Crystal Name: Compound X Chemical Formula: C₉H₁₄O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7150454
			e_{1_}	0	0	0	0.01	0	-0.06	c_{1_}	22.37	6.35	10.35	0	-1.71	0
			e_{2_}	0.03	-0.12	-0.04	0	0.04	0	c_{2_}	6.35	21.1	12.58	0	-2.21	0
			e_{3_}	0	0	0	-0.09	0	0.05	c_{3_}	10.35	12.58	22.56	0	-1.79	0
			d_{1_}	0	0	0	-1.54	0	-10.98	c_{4_}	0	0	0	10.28	0	-2.41
			d_{2_}	3.35	-6.75	0.99	0	4.36	0	c_{5_}	-1.71	-2.21	-1.79	0	7.09	0
			d_{3_}	0	0	0	-7.48	0	5.56	c_{6_}	0	0	0	-2.41	0	6.07
355	Crystal Name: 3-C-Methyl-D-allono-1,5-lactone Chemical Formula: C₇H₁₂O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	2212288
			e_{1_}	0	0	0	-0.03	0	-0.01	c_{1_}	24.9	13.03	15.36	0	-3.7	0
			e_{2_}	0.02	-0.14	0.02	0	0.01	0	c_{2_}	13.03	58.19	16.1	0	-0.54	0
			e_{3_}	0	0	0	0.05	0	0.01	c_{3_}	15.36	16.1	35.58	0	-2.02	0
			d_{1_}	0	0	0	-3.74	0	-2.7	c_{4_}	0	0	0	11.54	0	-3.86
			d_{2_}	2.24	-3.24	1.22	0	2.95	0	c_{5_}	-3.7	-0.54	-2.02	0	7.77	0
			d_{3_}	0	0	0	4.95	0	2.4	c_{6_}	0	0	0	-3.86	0	10.69
356	Crystal Name: 1H,1H-[4,4-bipyrazol]-3-amine Chemical Formula: C₆H₇N₅ H-M Space Group: Pc HD View 3D View Crystal Details	4349922
			e_{1_}	-2.08	-0.82	-0.88	0	-2.1	0	c_{1_}	9.07	-18.58	-11.05	0	-56.48	0
			e_{2_}	0	0	0	-0.31	0	-0.13	c_{2_}	-18.58	4.94	2.61	0	-23.63	0
			e_{3_}	-2.66	-0.72	-0.91	0	-1.58	0	c_{3_}	-11.05	2.61	8.71	0	-27.29	0
			d_{1_}	8.32	15.71	4.76	0	32.07	0	c_{4_}	0	0	0	4.33	0	-2.98
			d_{2_}	0	0	0	0.89	0	106.25	c_{5_}	-56.48	-23.63	-27.29	0	-35.2	0
			d_{3_}	-6.39	16.57	6.02	0	39.45	0	c_{6_}	0	0	0	-2.98	0	-1.18
357	Crystal Name: L-Arginine Chemical Formula: C₆H₁₄N₄O₂ H-M Space Group: P1₂1₁ HD View 3D View Crystal Details	7107445
			e_{1_}	0	0	0	0	0	0.02	c_{1_}	47.26	7.33	7.05	0	3.14	0
			e_{2_}	-0.07	0.07	0	0	0	0	c_{2_}	7.33	29.04	20.1	0	0.42	0
			e_{3_}	0	0	0	0.03	0	0.01	c_{3_}	7.05	20.1	22.64	0	0.13	0
			d_{1_}	0	0	0	0.31	0	6.77	c_{4_}	0	0	0	13.68	0	-0.32
			d_{2_}	-1.84	6.63	-5.47	0	0.7	0	c_{5_}	3.14	0.42	0.13	0	3.21	0
			d_{3_}	0	0	0	2.17	0	3.28	c_{6_}	0	0	0	-0.32	0	3.2
358	Crystal Name: 3-nitro-1-phenylpropan-1-one Chemical Formula: C₉H₉NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7129529
			e_{1_}	0	0	0	0	0	-0.05	c_{1_}	13.36	10.11	6.74	0	0.87	0
			e_{2_}	0.01	-0.08	-0.09	0	0.05	0	c_{2_}	10.11	13.28	8.44	0	2.25	0
			e_{3_}	0	0	0	-0.07	0	0.03	c_{3_}	6.74	8.44	14.19	0	-4.08	0
			d_{1_}	0	0	0	2.92	0	-8.29	c_{4_}	0	0	0	1.84	0	0.43
			d_{2_}	14.01	-22.99	5.81	0	17.07	0	c_{5_}	0.87	2.25	-4.08	0	6.85	0
			d_{3_}	0	0	0	-39.78	0	8.81	c_{6_}	0	0	0	0.43	0	5.9
359	Crystal Name: L-Histidine.4,5-Imidazoledicarboxylic Acid (1:1) and L-Lysine.4,5-Imidazoledicarboxylic Acid (1:1) Chemical Formula: C₁₁H₁₃N₅O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	1520678
			e_{1_}	0.03	0.02	0.01	0.05	-0.01	-0.18	c_{1_}	-1.17	2.6	4.57	0	1.49	0
			e_{2_}	-0.74	-0.32	-0.26	0	0.07	0	c_{2_}	2.6	1.18	8.78	0	0.05	0
			e_{3_}	-0.01	0	0	0.09	0	-0.09	c_{3_}	4.57	8.78	-24.9	0	5.62	0
			d_{1_}	-1.38	2.01	1.99	-45.9	8.98	21.28	c_{4_}	0	0	0	-1.29	0	-0.33
			d_{2_}	76.15	-128.27	-40.67	0	-87.9	0	c_{5_}	1.49	0.05	5.62	0	-2.19	0
			d_{3_}	0.57	-0.62	-0.39	-72.51	-1.57	11.89	c_{6_}	0	0	0	-0.33	0	-9.37
360	Crystal Name: epsilon glycine-d5 Chemical Formula: C₂D₅NO₂ H-M Space Group: Pc HD View 3D View Crystal Details	7220562
			e_{1_}	-0.22	-0.02	0.05	0	0.32	0	c_{1_}	61.33	14.51	21.62	0	-12.65	0
			e_{2_}	0	0	0	0.02	0	-0.06	c_{2_}	14.51	30.37	16	0	-1.27	0
			e_{3_}	0.03	0.01	0.69	0	-0.29	0	c_{3_}	21.62	16	74.85	0	-18.45	0
			d_{1_}	0.14	-3.97	8.34	0	27.67	0	c_{4_}	0	0	0	10.02	0	-0.42
			d_{2_}	0	0	0	1.58	0	-7.76	c_{5_}	-12.65	-1.27	-18.45	0	16.91	0
			d_{3_}	-4.32	-2.14	7.88	0	-12.16	0	c_{6_}	0	0	0	-0.42	0	7.5
361	Crystal Name: 2-azido-1-(4-methoxyphenyl)ethan-1-one Chemical Formula: C₉H₉N₃O₂ H-M Space Group: Pc HD View 3D View Crystal Details	7155828
			e_{1_}	-0.12	-0.08	-0.01	0	-0.03	0	c_{1_}	20.09	6.85	10.53	0	-4.05	0
			e_{2_}	0	0	0	0.05	0	-0.02	c_{2_}	6.85	52.87	13.44	0	-3.84	0
			e_{3_}	-0.1	0.12	0.07	0	-0.07	0	c_{3_}	10.53	13.44	20.43	0	-0.44	0
			d_{1_}	-14.8	-3.68	8.88	0	-26.22	0	c_{4_}	0	0	0	5.3	0	-1.85
			d_{2_}	0	0	0	10.59	0	3.16	c_{5_}	-4.05	-3.84	-0.44	0	3.98	0
			d_{3_}	-18.32	-1.23	12.99	0	-35.24	0	c_{6_}	0	0	0	-1.85	0	0.31
362	Crystal Name: 1-naphtonitrile Chemical Formula: C₁₁H₇N H-M Space Group: P2₁ HD View 3D View Crystal Details	3500021
			e_{1_}	0	0	0	0.04	0	-0.03	c_{1_}	17.89	6.98	9.44	0	0.37	0
			e_{2_}	-0.03	-0.11	0.08	0	0.02	0	c_{2_}	6.98	15.55	11.64	0	1.38	0
			e_{3_}	0	0	0	-0.03	0	-0.01	c_{3_}	9.44	11.64	22.72	0	0.78	0
			d_{1_}	0	0	0	11.37	0	-16.24	c_{4_}	0	0	0	4.46	0	0.92
			d_{2_}	-0.92	-23.72	13.34	0	80.54	0	c_{5_}	0.37	1.38	0.78	0	0.58	0
			d_{3_}	0	0	0	-6.44	0	-2.22	c_{6_}	0	0	0	0.92	0	2.73
363	Crystal Name: Urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	9017318
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	14.25	13.73	12.54	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	13.73	14.25	12.54	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	12.54	12.54	67.11	0	0	0
			d_{1_}	0	0	0	9.56	0	0	c_{4_}	0	0	0	8.36	0	0
			d_{2_}	0	0	0	0	9.56	0	c_{5_}	0	0	0	0	8.36	0
			d_{3_}	0	0	0	0	0	-2.04	c_{6_}	0	0	0	0	0	18.11
364	Crystal Name: N-phenylurea Chemical Formula: C₇H₈N₂O H-M Space Group: P2₁ HD View 3D View Crystal Details	7209248
			e_{1_}	0	0	0	0.05	0	-0.04	c_{1_}	37.91	10.76	10.69	0	-0.86	0
			e_{2_}	-0.03	0.05	0	0	-0.04	0	c_{2_}	10.76	14.83	14.08	0	-0.47	0
			e_{3_}	0	0	0	-0.07	0	0.03	c_{3_}	10.69	14.08	20.19	0	0.76	0
			d_{1_}	0	0	0	7.26	0	-8.18	c_{4_}	0	0	0	7.68	0	0.3
			d_{2_}	-2.08	8	-3.96	0	-11.16	0	c_{5_}	-0.86	-0.47	0.76	0	3.52	0
			d_{3_}	0	0	0	-9.15	0	6.67	c_{6_}	0	0	0	0.3	0	4.62
365	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200103
			e_{1_}	0	0	0	-0.02	0	0.05	c_{1_}	37.36	19.01	6.71	0	-0.48	0
			e_{2_}	0	0.23	-0.05	0	0.01	0	c_{2_}	19.01	31.69	11.05	0	-0.46	0
			e_{3_}	0	0	0	-0.05	0	-0.03	c_{3_}	6.71	11.05	17.79	0	-0.6	0
			d_{1_}	0	0	0	-3.31	0	3.43	c_{4_}	0	0	0	4.63	0	-1.94
			d_{2_}	-5.38	13.76	-9.01	0	4.97	0	c_{5_}	-0.48	-0.46	-0.6	0	2.3	0
			d_{3_}	0	0	0	-12.71	0	-4.07	c_{6_}	0	0	0	-1.94	0	12.79
366	Crystal Name: 1H-5aminotetrazole Chemical Formula: CH₃N₅ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7205235
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	45.22	12.6	20.38	0	0	0
			e_{2_}	0	0	0	0	0.16	0	c_{2_}	12.6	20.65	10.58	0	0	0
			e_{3_}	0	0	0	0	0	0.05	c_{3_}	20.38	10.58	35.32	0	0	0
			d_{1_}	0	0	0	-4.94	0	0	c_{4_}	0	0	0	2.7	0	0
			d_{2_}	0	0	0	0	6.85	0	c_{5_}	0	0	0	0	23.46	0
			d_{3_}	0	0	0	0	0	29.04	c_{6_}	0	0	0	0	0	1.56
367	Crystal Name: b-glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	5000416
			e_{1_}	0	0	0	-0.11	0	0.21	c_{1_}	64.96	11.67	21.32	0	-9.5	0
			e_{2_}	0.01	-0.11	0.09	0	-0.05	0	c_{2_}	11.67	23.87	12.82	0	-1.88	0
			e_{3_}	0	0	0	0.02	0	-0.07	c_{3_}	21.32	12.82	80.5	0	-21.16	0
			d_{1_}	0	0	0	-17.86	0	44.78	c_{4_}	0	0	0	9.01	0	1.24
			d_{2_}	0.45	-5.66	1.57	0	-1.06	0	c_{5_}	-9.5	-1.88	-21.16	0	17.87	0
			d_{3_}	0	0	0	4.04	0	-13.92	c_{6_}	0	0	0	1.24	0	5.24
368	Crystal Name: Choline (R,R)-hydrogentartrate Chemical Formula: C₉H₁₉NO₇ H-M Space Group: P1 HD View 3D View Crystal Details	2009571
			e_{1_}	0.11	-0.1	0.13	0.02	-0.05	0.07	c_{1_}	28.31	19.95	11.72	-1.39	-2.84	6.34
			e_{2_}	0.19	-0.06	-0.05	-0.1	-0.03	-0.05	c_{2_}	19.95	36.26	15.71	-3.39	-1.4	11.34
			e_{3_}	-0.08	0.06	0.19	-0.06	-0.01	0.02	c_{3_}	11.72	15.71	27.65	0.31	-2.28	-0.49
			d_{1_}	7.09	-18.02	12.05	-0.25	-1.77	19.67	c_{4_}	-1.39	-3.39	0.31	7.17	-0.14	-1.64
			d_{2_}	14.18	-6.35	-4.44	-15.95	-1.65	-8.64	c_{5_}	-2.84	-1.4	-2.28	-0.14	9.1	-0.48
			d_{3_}	-8.7	-2.18	12.18	-10.52	-0.64	7.46	c_{6_}	6.34	11.34	-0.49	-1.64	-0.48	11.69
369	Crystal Name: (1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one Chemical Formula: C₈H₁₀O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	1555109
			e_{1_}	0	0	0	-0.02	0	-0.03	c_{1_}	26.72	9	9.71	0	-1.98	0
			e_{2_}	0.09	-0.03	-0.09	0	0.04	0	c_{2_}	9	25.5	7.71	0	-1.52	0
			e_{3_}	0	0	0	-0.12	0	0	c_{3_}	9.71	7.71	28.22	0	-0.17	0
			d_{1_}	0	0	0	-7.93	0	-17.17	c_{4_}	0	0	0	4.16	0	-1.03
			d_{2_}	6.35	-1.65	-4.87	0	6.62	0	c_{5_}	-1.98	-1.52	-0.17	0	7.78	0
			d_{3_}	0	0	0	-32.32	0	-14.77	c_{6_}	0	0	0	-1.03	0	1.99
370	Crystal Name: hydroxylysine Chemical Formula: C₆H₁₈Cl₂N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	2104273
			e_{1_}	0.04	0.05	0.03	-0.03	0.03	-0.03	c_{1_}	21.43	10.41	3.86	1.03	0.81	-2.95
			e_{2_}	0.06	0.01	-0.01	0.05	-0.05	-0.08	c_{2_}	10.41	17.15	9.58	0.34	2.25	-5.44
			e_{3_}	-0.03	0.04	-0.1	0.01	-0.07	0.02	c_{3_}	3.86	9.58	12.41	-0.76	6.49	-8.82
			d_{1_}	0.83	2.99	-0.39	-5.7	2.21	1.84	c_{4_}	1.03	0.34	-0.76	5.36	-4.22	3.44
			d_{2_}	2.94	-4.46	1.57	1.3	-24.19	-17.92	c_{5_}	0.81	2.25	6.49	-4.22	1.39	0.71
			d_{3_}	-5.62	14.41	-15.13	-6.27	-14.08	-6.32	c_{6_}	-2.95	-5.44	-8.82	3.44	0.71	3.62
371	Crystal Name: Loline alkaloids Chemical Formula: C₈H₁₂N₂O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	1507954
			e_{1_}	0	0	0	0.04	0	-0.04	c_{1_}	21.5	15.1	16.41	0	-1.6	0
			e_{2_}	0.02	0.08	-0.04	0	0.01	0	c_{2_}	15.1	27.19	16.29	0	-1.09	0
			e_{3_}	0	0	0	-0.1	0	0.13	c_{3_}	16.41	16.29	29.3	0	0.06	0
			d_{1_}	0	0	0	2.49	0	-2.39	c_{4_}	0	0	0	12.39	0	-4.34
			d_{2_}	1	5.4	-5	0	3.62	0	c_{5_}	-1.6	-1.09	0.06	0	6.15	0
			d_{3_}	0	0	0	-5.27	0	8.45	c_{6_}	0	0	0	-4.34	0	13.04
372	Crystal Name: 3-deoxy-2-C-hydroxymethyl-D,L-tetrono-1,4-lactone Chemical Formula: C₆H₁₀O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	1557897
			e_{1_}	0	0	0	-0.23	0	-0.2	c_{1_}	-24.62	-10.94	-10.93	0	-2.35	0
			e_{2_}	1.07	0.21	0.98	0	0.87	0	c_{2_}	-10.94	5.46	-8.65	0	-0.09	0
			e_{3_}	0	0	0	-0.1	0	-0.14	c_{3_}	-10.93	-8.65	-42.06	0	-16.84	0
			d_{1_}	0	0	0	80.52	0	39.72	c_{4_}	0	0	0	-2.2	0	-1.21
			d_{2_}	-3.44	-57.98	-57.78	0	118.41	0	c_{5_}	-2.35	-0.09	-16.84	0	-0.99	0
			d_{3_}	0	0	0	20.5	0	45.41	c_{6_}	0	0	0	-1.21	0	-2.51
373	Crystal Name: 1-(1-Naphthyl)ethanaminium 3-carboxy-1H-pyrazole-5-carboxylate Chemical Formula: C₁₇H₁₇N₃O₄ H-M Space Group: P1 HD View 3D View Crystal Details	4509798
			e_{1_}	0.14	0	0	-0.02	-0.08	-0.02	c_{1_}	40.54	13.43	21.13	3.93	-1.42	0.87
			e_{2_}	0.01	0.01	-0.06	-0.05	-0.02	0.01	c_{2_}	13.43	14.63	20.52	1.39	0.27	1.52
			e_{3_}	0.06	-0.07	-0.03	-0.07	0.04	0.04	c_{3_}	21.13	20.52	55.48	18.49	11.82	4.96
			d_{1_}	1.04	64.22	-51.59	83.67	0.98	-7.97	c_{4_}	3.93	1.39	18.49	10.14	6.56	2.05
			d_{2_}	0.27	8.59	-6.07	4.1	0.75	1.97	c_{5_}	-1.42	0.27	11.82	6.56	13.74	5.56
			d_{3_}	-6.37	241.45	-188.39	289.95	37.25	-40.64	c_{6_}	0.87	1.52	4.96	2.05	5.56	4.75
374	Crystal Name: Pyridone--tartronic acid, hydroxypyridinium hydrogen tartronate Chemical Formula: C₈H₉NO₆ H-M Space Group: Pc HD View 3D View Crystal Details	2014474
			e_{1_}	0.21	0.1	-0.04	0	-0.06	0	c_{1_}	48.27	4.74	19.5	0	-8.93	0
			e_{2_}	0	0	0	0.01	0	0.03	c_{2_}	4.74	46.84	7.88	0	1.09	0
			e_{3_}	0.06	-0.02	0.12	0	-0.08	0	c_{3_}	19.5	7.88	26.61	0	-15.06	0
			d_{1_}	8.83	5.63	-23.26	0	-23.82	0	c_{4_}	0	0	0	4.76	0	-0.65
			d_{2_}	0	0	0	2.99	0	9.12	c_{5_}	-8.93	1.09	-15.06	0	14.19	0
			d_{3_}	-1.06	-1.31	5.97	0	0.28	0	c_{6_}	0	0	0	-0.65	0	3.68
375	Crystal Name: 4-(1H-1,2,4-Triazol-1-yl)benzoic acid Chemical Formula: C₉H₇N₃O₂ H-M Space Group: Pc HD View 3D View Crystal Details	4506806
			e_{1_}	-0.02	0.09	-0.09	0	0	0	c_{1_}	18.82	12.76	12.14	0	1.65	0
			e_{2_}	0	0	0	-0.03	0	0	c_{2_}	12.76	24.01	23.33	0	5.83	0
			e_{3_}	-0.02	0	-0.11	0	-0.04	0	c_{3_}	12.14	23.33	26.42	0	8.78	0
			d_{1_}	-4.49	66.54	-68.04	0	23.81	0	c_{4_}	0	0	0	7.16	0	1.71
			d_{2_}	0	0	0	-5.17	0	3.14	c_{5_}	1.65	5.83	8.78	0	8.9	0
			d_{3_}	-1.47	33.24	-35.93	0	9.79	0	c_{6_}	0	0	0	1.71	0	2.02

Predicted Material Properties Repository and Database (CrystalDFT)

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