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}
526	Crystal Name: 1-(3-nitro-1H-1,2,4-triazol-5-on-4-yl)-2-nitrazapropane Chemical Formula: C₄H₆N₆O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	7055518
			e_{1_}	0	0	0	0.06	0	0.05	c_{1_}	13.81	10.2	10.96	0	0.66	0
			e_{2_}	-0.06	-0.13	-0.03	0	-0.02	0	c_{2_}	10.2	11.63	11.64	0	-1.76	0
			e_{3_}	0	0	0	-0.1	0	0.02	c_{3_}	10.96	11.64	19.42	0	2.35	0
			d_{1_}	0	0	0	6.51	0	4.96	c_{4_}	0	0	0	7.82	0	2.26
			d_{2_}	13.53	-44.76	19.69	0	-14.99	0	c_{5_}	0.66	-1.76	2.35	0	10.53	0
			d_{3_}	0	0	0	-14.51	0	6.42	c_{6_}	0	0	0	2.26	0	8.05
527	Crystal Name: zeta-glycine-d5 Chemical Formula: C₂D₅NO₂ H-M Space Group: P1 HD View 3D View Crystal Details	1546928
			e_{1_}	-0.32	-0.02	0.1	-0.03	0.37	0.14	c_{1_}	79.77	16.54	26.05	-0.34	-7.46	1.2
			e_{2_}	0.02	-0.12	0.1	-0.01	0.03	0.08	c_{2_}	16.54	34.76	20.35	-1.87	-4.84	2
			e_{3_}	0.06	0.05	0.64	-0.01	-0.26	-0.02	c_{3_}	26.05	20.35	74.15	-2.74	-13.82	0.63
			d_{1_}	-4.33	-0.58	6.99	-1.74	22.32	17.47	c_{4_}	-0.34	-1.87	-2.74	10.2	0.9	-0.84
			d_{2_}	0.42	-6.03	3.13	-0.33	2.15	13.31	c_{5_}	-7.46	-4.84	-13.82	0.9	18.57	0.91
			d_{3_}	-2.25	-3.78	8.82	1.27	-9.14	-0.34	c_{6_}	1.2	2	0.63	-0.84	0.91	6.83
528	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232397
			e_{1_}	0	0	0	-0.03	0	-0.01	c_{1_}	7.9	6.58	7.42	0	0.5	0
			e_{2_}	0.03	0.02	0	0	-0.02	0	c_{2_}	6.58	11.12	7.99	0	0.98	0
			e_{3_}	0	0	0	0.01	0	0	c_{3_}	7.42	7.99	11.64	0	-0.16	0
			d_{1_}	0	0	0	-5.58	0	-1.3	c_{4_}	0	0	0	4.58	0	0.88
			d_{2_}	8.25	2.46	-6.98	0	-7.45	0	c_{5_}	0.5	0.98	-0.16	0	3.5	0
			d_{3_}	-0.01	0	0	2.18	0	0.45	c_{6_}	0	0	0	0.88	0	3.19
529	Crystal Name: 2-[(1R,4R)-1,4-dihydroxycyclohexyl]acetic acid Chemical Formula: C₈H₁₄O₄ H-M Space Group: P1 HD View 3D View Crystal Details	2229673
			e_{1_}	-0.05	0.04	0.14	-0.07	0.02	0.02	c_{1_}	22.32	9.98	10.54	0.35	1.05	-0.12
			e_{2_}	0	0.11	0.22	0.01	0	0.03	c_{2_}	9.98	24.78	19.03	3.33	4.28	2.46
			e_{3_}	0	-0.03	-0.05	-0.04	-0.02	-0.03	c_{3_}	10.54	19.03	38.31	4.36	1.9	6.04
			d_{1_}	-5.13	-1.23	7.4	-16.13	8.48	-1.52	c_{4_}	0.35	3.33	4.36	6.99	1.94	1.14
			d_{2_}	-3.61	1.07	7.05	-3.05	-0.38	-2.26	c_{5_}	1.05	4.28	1.9	1.94	5.29	0.81
			d_{3_}	0.35	-0.08	-0.28	-4.26	-1.1	-4.12	c_{6_}	-0.12	2.46	6.04	1.14	0.81	6.47
530	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P1 HD View 3D View Crystal Details	7201226
			e_{1_}	0	0	0	0	0	0.16	c_{1_}	275.5	109.37	-2.46	0.09	0.03	-0.4
			e_{2_}	0.17	-0.16	0	0	0	0	c_{2_}	109.37	275.69	-2.46	0.26	-0.06	-0.58
			e_{3_}	-0.07	-0.07	-0.03	0	0	0	c_{3_}	-2.46	-2.46	20.83	0.05	0.06	0.05
			d_{1_}	0	0	0.04	0.84	-20.72	1.78	c_{4_}	0.09	0.26	0.05	0.99	0.07	0.12
			d_{2_}	1	-0.99	0.03	3.62	0.67	0.01	c_{5_}	0.03	-0.06	0.06	0.07	-0.17	-0.53
			d_{3_}	-0.2	-0.2	-1.35	3.27	3.75	0.02	c_{6_}	-0.4	-0.58	0.05	0.12	-0.53	81.15
531	Crystal Name: [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-ol Chemical Formula: C₃H₂N₆O H-M Space Group: Cc HD View 3D View Crystal Details	7060602
			e_{1_}	0.52	0	0.34	0	-0.47	0	c_{1_}	66.08	11.53	22.44	0	-22.4	0
			e_{2_}	0	0	0	-0.04	0	-0.05	c_{2_}	11.53	20.97	12.23	0	2.16	0
			e_{3_}	-0.27	-0.04	-0.17	0	0.13	0	c_{3_}	22.44	12.23	21.34	0	-6.73	0
			d_{1_}	-8.56	-0.14	14.5	0	-34	0	c_{4_}	0	0	0	9.8	0	3.07
			d_{2_}	0	0	0	-2.18	0	-5.69	c_{5_}	-22.4	2.16	-6.73	0	16.72	0
			d_{3_}	-0.51	2.22	-7.53	0	3.91	0	c_{6_}	0	0	0	3.07	0	7
532	Crystal Name: Benzimidazolium 3,5-dicarboxybenzoate trihydrate Chemical Formula: C₁₆H₁₈N₂O₉ H-M Space Group: P1 HD View 3D View Crystal Details	2226600
			e_{1_}	0.02	0.02	0.05	0	0.01	-0.02	c_{1_}	20.19	8.26	9.63	0.08	0.32	-1.76
			e_{2_}	0	-0.16	0.05	0.01	-0.01	0.05	c_{2_}	8.26	31.64	11	-4.55	2.81	-7.25
			e_{3_}	-0.01	-0.03	0.23	-0.01	0.01	-0.02	c_{3_}	9.63	11	58.91	-3.17	-0.04	-0.63
			d_{1_}	0.44	-1.4	1.02	2.24	4.96	-5.9	c_{4_}	0.08	-4.55	-3.17	11.94	-4.1	1.75
			d_{2_}	1.62	-5.29	1.44	-2.39	-2.56	3.21	c_{5_}	0.32	2.81	-0.04	-4.1	3.06	-0.57
			d_{3_}	-1.85	-5.47	5.33	4.82	13.96	-11.3	c_{6_}	-1.76	-7.25	-0.63	1.75	-0.57	5.62
533	Crystal Name: Croconic Acid Doped Glycine Single Crystals Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	1567735
			e_{1_}	0.07	-0.07	0	-0.08	-0.1	-0.03	c_{1_}	37.31	22.06	19.44	1.52	-0.97	0
			e_{2_}	-0.03	0.03	0	-0.1	0.08	-0.07	c_{2_}	22.06	37.31	19.44	-1.52	0.97	0
			e_{3_}	0.02	0.02	-0.82	0	0	0	c_{3_}	19.44	19.44	83.46	0	0	0
			d_{1_}	4.74	-4.74	0	-5.97	-5.6	-1.76	c_{4_}	1.52	-1.52	0	15.52	0	0.97
			d_{2_}	-0.88	0.88	0	-5.6	5.97	-9.47	c_{5_}	-0.97	0.97	0	0	15.52	1.52
			d_{3_}	4.28	4.28	-11.81	0	0	0	c_{6_}	0	0	0	0.97	1.52	7.63
534	Crystal Name: (R)-3-Methyl-3-phenylpyrrolidine-2,5-dione Chemical Formula: C₁₁H₁₁NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4511394
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	20.5	11.4	12.25	0	-3.97	0
			e_{2_}	0.04	-0.04	-0.03	0	-0.04	0	c_{2_}	11.4	19.36	12.1	0	-2.49	0
			e_{3_}	0	0	0	-0.03	0	-0.01	c_{3_}	12.25	12.1	19	0	0.9	0
			d_{1_}	0	0	0	-5.56	0	-1.49	c_{4_}	0	0	0	5.35	0	-1.62
			d_{2_}	4.15	-4.83	-0.72	0	-4.62	0	c_{5_}	-3.97	-2.49	0.9	0	8.52	0
			d_{3_}	0	0	0	-6.51	0	-3.18	c_{6_}	0	0	0	-1.62	0	6.39
535	Crystal Name: 1-methyl-2-nitroimidazole Chemical Formula: C₄H₅N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	8105201
			e_{1_}	0	0	0	0.01	0	0.03	c_{1_}	9.86	11.31	13.32	0	-3.22	0
			e_{2_}	0.01	0.35	0.04	0	-0.04	0	c_{2_}	11.31	29.91	14.35	0	-5.41	0
			e_{3_}	0	0	0	-0.03	0	0.05	c_{3_}	13.32	14.35	15.13	0	-4.26	0
			d_{1_}	0	0	0	9.93	0	13.04	c_{4_}	0	0	0	5.19	0	-2.97
			d_{2_}	3.91	18.9	-18.56	0	-0.36	0	c_{5_}	-3.22	-5.41	-4.26	0	6.98	0
			d_{3_}	0	0	0	-0.05	0	10.9	c_{6_}	0	0	0	-2.97	0	4.32
536	Crystal Name: Compound 4a - Coprinastatin 1 Chemical Formula: C₁₅H₂₂O₃ H-M Space Group: P1 HD View 3D View Crystal Details	1502819
			e_{1_}	0.02	0	-0.01	0	0	0.04	c_{1_}	19.53	7.71	8.18	-0.34	-2.79	-1.57
			e_{2_}	0.01	0.08	0.09	-0.05	-0.01	0.03	c_{2_}	7.71	20.87	12.54	-3.27	0.47	-0.2
			e_{3_}	0.01	-0.01	0.01	0.01	0.01	0.01	c_{3_}	8.18	12.54	27.28	-4.53	-2.21	1.33
			d_{1_}	1.89	-0.01	-1.58	-2.29	0.11	5.67	c_{4_}	-0.34	-3.27	-4.53	6.42	-0.56	1.07
			d_{2_}	-1.48	2.58	0.87	-7.54	-4.27	3.57	c_{5_}	-2.79	0.47	-2.21	-0.56	4.29	-0.55
			d_{3_}	0.88	-1.28	0.95	1.22	2.63	0.67	c_{6_}	-1.57	-0.2	1.33	1.07	-0.55	8.15
537	Crystal Name: 2-(2,2,5,5-Tetramethyl-1,3-dioxan-4-yl)-1,3-oxazole Chemical Formula: C₁₁H₁₇NO₃ H-M Space Group: P1 HD View 3D View Crystal Details	4027001
			e_{1_}	0.09	0	-0.02	0	-0.05	0.02	c_{1_}	21.95	5.28	8.81	-1.91	-0.08	-0.48
			e_{2_}	0.01	-0.07	0.02	0	0.03	0	c_{2_}	5.28	16.47	8.24	2.33	0.23	0.47
			e_{3_}	-0.01	0.02	-0.06	0.01	0.01	0.01	c_{3_}	8.81	8.24	22.93	0.57	3.77	-2.2
			d_{1_}	4.55	-0.48	-1.13	-0.84	-7.88	-1.2	c_{4_}	-1.91	2.33	0.57	7.65	-2.74	0.13
			d_{2_}	2.11	-7.38	1.96	5.79	10.65	11.12	c_{5_}	-0.08	0.23	3.77	-2.74	6.37	-2.49
			d_{3_}	1.67	2.7	-5.19	3.98	7.69	4.99	c_{6_}	-0.48	0.47	-2.2	0.13	-2.49	3.46
538	Crystal Name: (1R,2S,6S)-2-Hydroxy-3,6-dimethyl-5-oxocyclohex-3-en-1-yl (S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate Chemical Formula: C₁₈H₂₄O₆ H-M Space Group: P1 HD View 3D View Crystal Details	7104548
			e_{1_}	0.08	-0.04	0.01	0.03	0.06	0.03	c_{1_}	19.33	9.73	9.03	-0.2	1.38	-0.41
			e_{2_}	0.02	-0.02	-0.02	0.08	0.02	0.02	c_{2_}	9.73	25.16	7.27	1.44	1.17	-1.22
			e_{3_}	-0.01	-0.01	0.13	-0.04	0.04	-0.02	c_{3_}	9.03	7.27	33.59	-2.84	-0.82	-0.02
			d_{1_}	4.75	-4.41	0.78	5.28	15.37	1.96	c_{4_}	-0.2	1.44	-2.84	4.28	1.1	1.24
			d_{2_}	2.58	-3.25	1.18	22.74	-2.13	-1.18	c_{5_}	1.38	1.17	-0.82	1.1	3.55	0.45
			d_{3_}	-3.48	-0.56	4.42	-10.48	16.39	-2.8	c_{6_}	-0.41	-1.22	-0.02	1.24	0.45	6.58
539	Crystal Name: Acetonitrile Chemical Formula: C₂H₃N₁ H-M Space Group: Cmc2₁ HD View 3D View Crystal Details	1504384
			e_{1_}	0	0	0	0	-0.15	0	c_{1_}	10.7	5.37	4.17	0	0	0
			e_{2_}	0	0	0	-0.06	0	0	c_{2_}	5.37	13.42	7.95	0	0	0
			e_{3_}	-0.11	0.02	-0.01	0	0	0	c_{3_}	4.17	7.95	13.39	0	0	0
			d_{1_}	0	0	0	0	-74.54	0	c_{4_}	0	0	0	7.75	0	0
			d_{2_}	0	0	0	-7.1	0	0	c_{5_}	0	0	0	0	1.95	0
			d_{3_}	-14.11	7.62	-0.59	0	0	0	c_{6_}	0	0	0	0	0	3.18
540	Crystal Name: Graphite 2H Chemical Formula: C H-M Space Group: P6₃mc HD View 3D View Crystal Details	1200017
			e_{1_}	0	0	0	0	0	0	c_{1_}	1143.94	152.6	0.97	0	0	-0.32
			e_{2_}	0	0	0	0	0	0	c_{2_}	152.6	1143.68	1.12	0	0	0.09
			e_{3_}	0	0	0	0	0	0	c_{3_}	0.97	1.12	-14.73	0	0	0.13
			d_{1_}	0	0	0	0	0	0	c_{4_}	0	0	0	-4.43	-5.18	0
			d_{2_}	0	0	0	0	0	0	c_{5_}	0	0	0	-5.18	1.54	0
			d_{3_}	0	0	0.03	0	0	0	c_{6_}	-0.32	0.09	0.13	0	0	495.85
541	Crystal Name: cis-2,8-dihydroxypterocarpan Chemical Formula: C₁₇H₁₆O₄ H-M Space Group: P1 HD View 3D View Crystal Details	7100432
			e_{1_}	-0.04	0.03	0.06	0.03	0	0	c_{1_}	14.52	10.51	12.55	1.45	0.37	0.59
			e_{2_}	-0.02	-0.03	-0.02	0	0.02	-0.01	c_{2_}	10.51	17.99	11.64	-0.92	-0.14	0.7
			e_{3_}	-0.02	0.01	0.04	-0.02	0.02	-0.01	c_{3_}	12.55	11.64	18.25	2.14	-1.89	0.22
			d_{1_}	-18.65	6.24	11.43	15.13	7.68	-2.33	c_{4_}	1.45	-0.92	2.14	2.66	0.39	0.86
			d_{2_}	-1.27	-2.49	2.49	-2.12	6.68	-2.3	c_{5_}	0.37	-0.14	-1.89	0.39	3.73	0.69
			d_{3_}	-9.89	-4.13	15.23	-17.66	16.48	-0.77	c_{6_}	0.59	0.7	0.22	0.86	0.69	5.54
542	Crystal Name: (4S,5R,6S)-4,5,6-Trihydroxy-3-methylcyclohex-2-enone Chemical Formula: C₇H₁₀O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2242181
			e_{1_}	0	0	0	0.04	0	0.1	c_{1_}	35.31	25.25	13.87	0	-1.25	0
			e_{2_}	0.17	0.23	0	0	0.04	0	c_{2_}	25.25	29.83	13.69	0	1.17	0
			e_{3_}	0	0	0	0.06	0	-0.08	c_{3_}	13.87	13.69	25.99	0	-2.81	0
			d_{1_}	0	0	0	4.7	0	5.04	c_{4_}	0	0	0	7.22	0	1.99
			d_{2_}	-0.68	10.44	-5.05	0	2.19	0	c_{5_}	-1.25	1.17	-2.81	0	7.45	0
			d_{3_}	0	0	0	10.36	0	-5.44	c_{6_}	0	0	0	1.99	0	18.85
543	Crystal Name: Urea Chemical Formula: CO(NH₂)₂ H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1008776
			e_{1_}	0	0	0	0.07	0	0	c_{1_}	13.41	13.46	11.67	0	0	0
			e_{2_}	0	0	0	0	0.07	0	c_{2_}	13.46	13.41	11.67	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	11.67	11.67	73.41	0	0	0
			d_{1_}	0	0	0	9.96	0	0	c_{4_}	0	0	0	7.5	0	0
			d_{2_}	0	0	0	0	9.96	0	c_{5_}	0	0	0	0	7.5	0
			d_{3_}	0	0	0	0	0	-1.6	c_{6_}	0	0	0	0	0	17.76
544	Crystal Name: Triazolium N,N-dinitrourea Chemical Formula: C₃H₅N₇O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	7051805
			e_{1_}	0	0	0	-0.07	0	0.04	c_{1_}	18.28	14.26	13.32	0	0.55	0
			e_{2_}	0.01	0.07	0.1	0	-0.05	0	c_{2_}	14.26	28.9	16.47	0	1.8	0
			e_{3_}	0	0	0	0.04	0	-0.02	c_{3_}	13.32	16.47	47.4	0	-8.2	0
			d_{1_}	0	0	0	-11.41	0	7.32	c_{4_}	0	0	0	9.94	0	6.13
			d_{2_}	-2.02	3.5	0.3	0	-6.5	0	c_{5_}	0.55	1.8	-8.2	0	8.08	0
			d_{3_}	0	0	0	5.71	0	-3.4	c_{6_}	0	0	0	6.13	0	15.39
545	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200097
			e_{1_}	0	0	0	-0.1	0	-0.08	c_{1_}	18.82	11.17	17.55	0	4.12	0
			e_{2_}	0	-0.17	-0.01	0	-0.03	0	c_{2_}	11.17	20.08	8.97	0	0.37	0
			e_{3_}	0	0	0	-0.14	0	-0.06	c_{3_}	17.55	8.97	38.53	0	6.89	0
			d_{1_}	0	0	0	-9.72	0	-7.2	c_{4_}	0	0	0	8.48	0	2.72
			d_{2_}	10.9	-14.32	-0.26	0	-9.4	0	c_{5_}	4.12	0.37	6.89	0	7.08	0
			d_{3_}	0	0	0	-16.16	0	-2.61	c_{6_}	0	0	0	2.72	0	6.82
546	Crystal Name: 5-O-Acetyl-D-ribono-1,4-lactone Chemical Formula: C₇H₁₀O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	2231990
			e_{1_}	0	0	0	-0.04	0	-0.05	c_{1_}	21.53	7.22	11.54	0	-0.52	0
			e_{2_}	0	-0.12	0.05	0	0.01	0	c_{2_}	7.22	17.45	15.89	0	3.37	0
			e_{3_}	0	0	0	-0.01	0	0	c_{3_}	11.54	15.89	18.85	0	5.36	0
			d_{1_}	0	0	0	-2.43	0	-10.43	c_{4_}	0	0	0	9.27	0	1.68
			d_{2_}	-125.35	-211.63	351.31	0	-328.36	0	c_{5_}	-0.52	3.37	5.36	0	3.74	0
			d_{3_}	0	0	0	-1.06	0	1.33	c_{6_}	0	0	0	1.68	0	4.52
547	Crystal Name: graphene monoxide Chemical Formula: C₁₂O₁₂ H-M Space Group: Cmm2 HD View 3D View Crystal Details	1568394
			e_{1_}	0	0	0	0	-0.01	0	c_{1_}	69.74	11.43	-0.04	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	11.43	85.47	-0.14	0	0	0
			e_{3_}	0.01	0	0	0	0	0	c_{3_}	-0.04	-0.14	-0.05	0	0	0
			d_{1_}	0	0	0	0	52.57	0	c_{4_}	0	0	0	-0.2	0	0
			d_{2_}	0	0	0	-33.82	0	0	c_{5_}	0	0	0	0	-0.11	0
			d_{3_}	0.1	-0.05	-48.63	0	0	0	c_{6_}	0	0	0	0	0	27.4
548	Crystal Name: Mannose Phenylhydrazone Chemical Formula: C₁₂H₁₈N₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	2005717
			e_{1_}	0.05	0.02	0.06	-0.02	0.03	-0.01	c_{1_}	53.75	14.43	14.3	0.38	0.62	3.98
			e_{2_}	0.07	0.02	0.01	-0.03	-0.02	0.04	c_{2_}	14.43	29.93	10.94	-4.27	-2.65	7.83
			e_{3_}	0.01	0.01	0.07	0	0.04	-0.01	c_{3_}	14.3	10.94	24.46	1.16	-0.83	-1.29
			d_{1_}	0.21	-0.46	2.82	-3.25	4.67	-0.11	c_{4_}	0.38	-4.27	1.16	8.85	1.62	-2.32
			d_{2_}	1.19	-2.06	1.13	-2.72	-2.17	4.74	c_{5_}	0.62	-2.65	-0.83	1.62	7.57	-1.83
			d_{3_}	-0.87	-0.88	4.32	-2.05	6.36	1.19	c_{6_}	3.98	7.83	-1.29	-2.32	-1.83	8.88
549	Crystal Name: Oxammite Chemical Formula: C₂H₁₀N₂O₅ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	9011125
			e_{1_}	0	0	0	-0.05	0	0	c_{1_}	61.99	26.97	22.24	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	26.97	63.64	26.59	0	0	0
			e_{3_}	0	0	0	0	0	-0.06	c_{3_}	22.24	26.59	37.24	0	0	0
			d_{1_}	0	0	0	-3.74	0	0	c_{4_}	0	0	0	12.23	0	0
			d_{2_}	0	0	0	0	0.98	0	c_{5_}	0	0	0	0	12.11	0
			d_{3_}	0	0	0	0	0	-3.47	c_{6_}	0	0	0	0	0	16.15
550	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566512
			e_{1_}	0	0	0	0.06	0	0	c_{1_}	13.59	12.76	11.85	0	0	0
			e_{2_}	0	0	0	0	0.06	0	c_{2_}	12.76	13.59	11.85	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	11.85	11.85	65.55	0	0	0
			d_{1_}	0	0	0	7.96	0	0	c_{4_}	0	0	0	8.1	0	0
			d_{2_}	0	0	0	0	7.96	0	c_{5_}	0	0	0	0	8.1	0
			d_{3_}	0	0	0	0	0	-2	c_{6_}	0	0	0	0	0	17.33

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!