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}
276	Crystal Name: 2-[(1H-Pyrrol-2-yl)methyl]-1H-pyrrole Chemical Formula: C₉H₁₀N₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2238806
			e_{1_}	0	0	0	0	0	0.04	c_{1_}	11.84	9.18	9.39	0	0.56	0
			e_{2_}	0.04	0.04	0.01	0	0	0	c_{2_}	9.18	11.76	8.53	0	-0.64	0
			e_{3_}	0	0	0	0.06	0	-0.03	c_{3_}	9.39	8.53	15.26	0	1.27	0
			d_{1_}	0	0	0	2.73	0	7.79	c_{4_}	0	0	0	3.19	0	-0.49
			d_{2_}	2.05	4.79	-3.57	0	1.9	0	c_{5_}	0.56	-0.64	1.27	0	4.18	0
			d_{3_}	0	0	0	17.48	0	-4	c_{6_}	0	0	0	-0.49	0	4.81
277	Crystal Name: 3,3'-bis(Ethylcarbonyl)-4,4'-bi(1,3-oxazolidin-2-one) Chemical Formula: C₁₂H₁₆N₂O₆ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	1519681
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	1.15	4.17	6.83	0	0	0
			e_{2_}	0	0	0	0	0.06	0	c_{2_}	4.17	-1.78	2.28	0	0	0
			e_{3_}	0	0	0	0	0	3.12	c_{3_}	6.83	2.28	10.63	0	0	0
			d_{1_}	0.62	0.74	-0.55	-4.11	0	0	c_{4_}	0	0	0	-2.75	0	0
			d_{2_}	-1.04	-1.24	0.94	0	-33.67	0	c_{5_}	0	0	0	0	-1.9	0
			d_{3_}	-141.01	-167.79	126.6	0	0	-635.62	c_{6_}	0	0	0	0	0	-4.91
278	Crystal Name: L-Leucine D-2-aminopentanoic acid Chemical Formula: C₁₁H₂₄N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	2008943
			e_{1_}	0	0	0.01	0	0	0	c_{1_}	30.81	11.54	4.76	-1.39	1.13	-3.37
			e_{2_}	0	0	0	0.01	0.01	0	c_{2_}	11.54	45.99	6.34	-2.65	-0.09	-10.51
			e_{3_}	0.01	0.01	0	0	0.01	0	c_{3_}	4.76	6.34	18.91	-2.1	-1.24	-0.13
			d_{1_}	-0.09	-0.05	0.74	1.06	1.26	-0.35	c_{4_}	-1.39	-2.65	-2.1	5.69	-0.34	-0.05
			d_{2_}	-0.1	-0.06	0.34	1.85	1.55	-0.25	c_{5_}	1.13	-0.09	-1.24	-0.34	4.45	0.23
			d_{3_}	0	0.19	0.19	0.56	3.03	0.13	c_{6_}	-3.37	-10.51	-0.13	-0.05	0.23	9.17
279	Crystal Name: 3-(4-(carboxymethoxy)phenyl)propanoic acid Chemical Formula: C₁₁H₁₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	8102103
			e_{1_}	-0.02	-0.01	0	0.01	0	-0.01	c_{1_}	73.02	30.4	35.07	-23.32	-39.3	37.37
			e_{2_}	0.01	-0.01	0.01	-0.01	-0.01	0.01	c_{2_}	30.4	19.68	22.07	-7.1	-14.44	14.15
			e_{3_}	0.03	0.01	-0.01	-0.03	-0.02	0	c_{3_}	35.07	22.07	30.34	-7.05	-16.86	20.25
			d_{1_}	0.54	-6.1	5.25	3.19	-6.09	-5.93	c_{4_}	-23.32	-7.1	-7.05	16.18	17.3	-11.98
			d_{2_}	1.04	-7.23	5.32	-1.45	-0.13	-1.92	c_{5_}	-39.3	-14.44	-16.86	17.3	30.61	-26.13
			d_{3_}	0.2	5.43	-5.01	-2.15	1.99	1.48	c_{6_}	37.37	14.15	20.25	-11.98	-26.13	29.22
280	Crystal Name: Hydroxyammonium 3-amino-2,4-dinitro-5-oxocyclopenta-1,3-dien-1-olate Chemical Formula: C₅H₆N₄O₇ H-M Space Group: P2₁ HD View 3D View Crystal Details	7061377
			e_{1_}	0	0	0	-0.11	0	0.06	c_{1_}	26.13	7.73	23.72	0	-4.33	0
			e_{2_}	-0.09	0.48	-0.19	0	0.08	0	c_{2_}	7.73	77.75	19.97	0	-5.89	0
			e_{3_}	0	0	0	-0.21	0	0.05	c_{3_}	23.72	19.97	42.41	0	-13.84	0
			d_{1_}	0	0	0	-9.32	0	4.52	c_{4_}	0	0	0	10.12	0	-4.41
			d_{2_}	3.4	8.52	-10.23	0	0.34	0	c_{5_}	-4.33	-5.89	-13.84	0	14.23	0
			d_{3_}	0	0	0	-26.51	0	-12.46	c_{6_}	0	0	0	-4.41	0	5.06
281	Crystal Name: 5-[4-(1H-Imidazol-1-yl)phenyl]-1H-tetrazole Chemical Formula: C₁₀H₈N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	2234886
			e_{1_}	0	0	0	-0.17	0	0	c_{1_}	24.79	7.13	8.03	0	0.74	0
			e_{2_}	0.03	0	-0.03	0	0.03	0	c_{2_}	7.13	31.31	19.81	0	0.54	0
			e_{3_}	0	0	0	-0.02	0	0	c_{3_}	8.03	19.81	29.17	0	-0.75	0
			d_{1_}	0	0	0	-7.81	0	0.55	c_{4_}	0	0	0	21.68	0	-0.15
			d_{2_}	0.67	0.03	-0.81	0	21.75	0	c_{5_}	0.74	0.54	-0.75	0	1.14	0
			d_{3_}	0	0	0	-1.09	0	-2.07	c_{6_}	0	0	0	-0.15	0	2.24
282	Crystal Name: 2,3-Dimethylaniline Chemical Formula: C₈H₁₁N H-M Space Group: P2₁ HD View 3D View Crystal Details	4512517
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	15.23	13.33	9.38	0	-1.83	0
			e_{2_}	-0.01	0.07	0.02	0	-0.01	0	c_{2_}	13.33	18.3	7.42	0	1.34	0
			e_{3_}	0	0	0	0.03	0	-0.04	c_{3_}	9.38	7.42	17.58	0	-2.99	0
			d_{1_}	0	0	0	-0.65	0	1.16	c_{4_}	0	0	0	5.34	0	2.79
			d_{2_}	-21.11	20.03	1.22	0	-16.49	0	c_{5_}	-1.83	1.34	-2.99	0	4.45	0
			d_{3_}	0	0	0	9.16	0	-6.18	c_{6_}	0	0	0	2.79	0	10.56
283	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P1 HD View 3D View Crystal Details	7201219
			e_{1_}	0	0	0	0	0	0	c_{1_}	307.78	19.58	19.01	3.82	-20.76	-1.26
			e_{2_}	-0.01	0	0.01	0	0	0	c_{2_}	19.58	20.74	26.34	8.4	1.7	0.81
			e_{3_}	0.01	0	0	0	0	0	c_{3_}	19.01	26.34	36.95	11.18	1.77	0.11
			d_{1_}	0	1.19	-0.96	0.2	0.24	-1.13	c_{4_}	3.82	8.4	11.18	10.25	0.01	1.03
			d_{2_}	0.27	-2.94	1.78	0.5	3.57	-0.87	c_{5_}	-20.76	1.7	1.77	0.01	2.65	0.92
			d_{3_}	-0.11	0.56	-0.21	-0.34	-1.87	0.86	c_{6_}	-1.26	0.81	0.11	1.03	0.92	2.21
284	Crystal Name: Gamma glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	4504971
			e_{1_}	0.07	-0.07	0	-0.08	0.1	0.02	c_{1_}	36.92	20.87	18.08	1.43	0.6	0
			e_{2_}	0.02	-0.02	0	0.1	0.08	-0.07	c_{2_}	20.87	36.92	18.08	-1.43	-0.6	0
			e_{3_}	-0.02	-0.02	0.82	0	0	0	c_{3_}	18.08	18.08	84.1	0	0	0
			d_{1_}	4.69	-4.69	0	-5.9	5.95	1.22	c_{4_}	1.43	-1.43	0	15.77	0	-0.6
			d_{2_}	0.61	-0.61	0	5.95	5.9	-9.38	c_{5_}	0.6	-0.6	0	0	15.77	1.43
			d_{3_}	-3.97	-3.97	11.44	0	0	0	c_{6_}	0	0	0	-0.6	1.43	8.02
285	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200102
			e_{1_}	0	0	0	-0.06	0	0.03	c_{1_}	14.86	12.55	13.42	0	2.96	0
			e_{2_}	0.02	-0.23	0.03	0	-0.02	0	c_{2_}	12.55	31.51	15.67	0	2.91	0
			e_{3_}	0	0	0	-0.03	0	-0.05	c_{3_}	13.42	15.67	21.41	0	4.37	0
			d_{1_}	0	0	0	-8.58	0	9.97	c_{4_}	0	0	0	11.06	0	3.65
			d_{2_}	5.05	-13.62	9.14	0	-3.85	0	c_{5_}	2.96	2.91	4.37	0	9.74	0
			d_{3_}	0	0	0	0.38	0	-8.57	c_{6_}	0	0	0	3.65	0	6.42
286	Crystal Name: l-lactic acid Chemical Formula: C₃H₆O₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7242510
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	16.98	12.17	8.63	0	0	0
			e_{2_}	0	0	0	0	-0.09	0	c_{2_}	12.17	22.76	12.47	0	0	0
			e_{3_}	0	0	0	0	0	0.03	c_{3_}	8.63	12.47	20.1	0	0	0
			d_{1_}	0	0	0	-1.64	0	0	c_{4_}	0	0	0	7.7	0	0
			d_{2_}	0	0	0	0	-10.83	0	c_{5_}	0	0	0	0	7.94	0
			d_{3_}	0	0	0	0	0	2.48	c_{6_}	0	0	0	0	0	13.96
287	Crystal Name: 4-phenyl-1,1-bi-1,2,3-triazole Chemical Formula: C₁₀H₈N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	4033861
			e_{1_}	0	0	0	0.03	0	-0.01	c_{1_}	18.77	11.35	12.85	0	-0.46	0
			e_{2_}	0.01	-0.07	-0.05	0	-0.03	0	c_{2_}	11.35	11.78	10.91	0	-0.3	0
			e_{3_}	0	0	0	-0.11	0	0	c_{3_}	12.85	10.91	15.52	0	-3.53	0
			d_{1_}	0	0	0	6.36	0	-6.63	c_{4_}	0	0	0	5.06	0	0.84
			d_{2_}	13.82	-6.61	-14.13	0	-18.82	0	c_{5_}	-0.46	-0.3	-3.53	0	4.26	0
			d_{3_}	0	0	0	-22.76	0	8.37	c_{6_}	0	0	0	0.84	0	2.76
288	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516359
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	22.4	15.13	6.01	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	15.13	32.86	9.8	0	0	0
			e_{3_}	0.07	0.02	0.04	0	0	0	c_{3_}	6.01	9.8	24.26	0	0	0
			d_{1_}	0	0	0	0	64.89	0	c_{4_}	0	0	0	1.71	0	0
			d_{2_}	0	0	0	3.61	0	0	c_{5_}	0	0	0	0	0.28	0
			d_{3_}	3.77	-1.44	1.18	0	0	0	c_{6_}	0	0	0	0	0	6.22
289	Crystal Name: 5-Hydroxy-1,5-dimethyl-3H-spiro[cyclohexane-1,3-indole]-2,3(1H)-dione Chemical Formula: C₁₅H₁₈NO₃ H-M Space Group: P1 HD View 3D View Crystal Details	7224581
			e_{1_}	0.03	-0.02	0.06	-0.06	0	0	c_{1_}	21.86	8.79	11.89	-0.74	-1.25	-0.5
			e_{2_}	0.01	-0.09	-0.06	0	-0.01	-0.02	c_{2_}	8.79	18.96	9.64	-0.76	-0.15	-1.49
			e_{3_}	-0.02	0.01	0.16	-0.1	0.03	-0.07	c_{3_}	11.89	9.64	36.48	-2.22	1.7	-0.57
			d_{1_}	0.41	-3.2	1.39	-26.18	-12.68	-1.02	c_{4_}	-0.74	-0.76	-2.22	3.32	-2.36	-0.09
			d_{2_}	2.95	-6.13	-1.15	-2.98	-2.43	-6.22	c_{5_}	-1.25	-0.15	1.7	-2.36	5.45	0.07
			d_{3_}	-5.24	-2.51	4.79	-39.46	-14.3	-16.1	c_{6_}	-0.5	-1.49	-0.57	-0.09	0.07	4.45
290	Crystal Name: Pyridine-N-oxide Chemical Formula: C₅H₅NO H-M Space Group: P4₁2₁2 HD View 3D View Crystal Details	2105867
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	18.22	12.26	14.53	0	0	0
			e_{2_}	0	0	0	0	0.01	0	c_{2_}	12.26	18.22	14.53	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	14.53	14.53	15.97	0	0	0
			d_{1_}	0	0	0	-1.81	0	0	c_{4_}	0	0	0	6.15	0	0
			d_{2_}	0	0	0	0	1.81	0	c_{5_}	0	0	0	0	6.15	0
			d_{3_}	0	0	0	0	0	0	c_{6_}	0	0	0	0	0	4.9
291	Crystal Name: 1,2-bis(4-pyridyl)ethene-2,4-dihydroxybenzoic acid complex Chemical Formula: C₁₉H₁₆N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	4516309
			e_{1_}	-0.02	-0.02	-0.09	-0.01	-0.03	0	c_{1_}	23.04	8.6	15.09	1.16	1.31	0.39
			e_{2_}	0.01	0.01	0.07	-0.01	0.03	-0.03	c_{2_}	8.6	20.31	6.6	3.05	-2.49	0.82
			e_{3_}	-0.02	0.01	-0.22	-0.01	-0.06	0	c_{3_}	15.09	6.6	124.7	-8.83	27.61	-2.37
			d_{1_}	0.19	-1.23	0.62	-8.96	-8.54	1.15	c_{4_}	1.16	3.05	-8.83	3.05	-3.02	0.26
			d_{2_}	0.43	3.37	-2.27	-3.67	9.36	-13.71	c_{5_}	1.31	-2.49	27.61	-3.02	9.06	-0.14
			d_{3_}	0.81	3.87	-2.87	-19.69	-3.06	-2.47	c_{6_}	0.39	0.82	-2.37	0.26	-0.14	2.62
292	Crystal Name: 3-nitro-4-[(3-nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]-1,2,5-oxadiazole Chemical Formula: C₄HN₉O₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7243159
			e_{1_}	0	0	0	0.01	0	0	c_{1_}	18.21	8.67	10.64	0	-1.18	0
			e_{2_}	0	-0.03	-0.03	0	-0.02	0	c_{2_}	8.67	17.58	12.97	0	0.66	0
			e_{3_}	0	0	0	-0.07	0	-0.03	c_{3_}	10.64	12.97	22.36	0	-3.92	0
			d_{1_}	0	0	0	1.52	0	-0.84	c_{4_}	0	0	0	4.66	0	1.8
			d_{2_}	1.07	-0.22	-2.58	0	-4.39	0	c_{5_}	-1.18	0.66	-3.92	0	5.49	0
			d_{3_}	0	0	0	-14.66	0	0.11	c_{6_}	0	0	0	1.8	0	5.54
293	Crystal Name: L-Phenylalanine--D-isoleucine Chemical Formula: C₁₅H₂₄N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	2017146
			e_{1_}	-0.01	0.02	0.02	0	-0.01	0.02	c_{1_}	27.86	13.65	6	-2.5	-0.36	2.15
			e_{2_}	0.01	-0.01	0.01	-0.01	0	-0.01	c_{2_}	13.65	43.68	5.74	-1.6	0.45	4.64
			e_{3_}	0	-0.02	0.01	0.01	0	-0.01	c_{3_}	6	5.74	17.28	0.16	1.96	0.01
			d_{1_}	-0.87	0.26	1.28	0.93	-1.55	2.92	c_{4_}	-2.5	-1.6	0.16	4.5	1.8	0.53
			d_{2_}	0.28	-0.35	0.45	-2.43	-0.07	-1.56	c_{5_}	-0.36	0.45	1.96	1.8	4.17	-1.31
			d_{3_}	0.38	-0.36	0.57	3.36	-0.95	-1.12	c_{6_}	2.15	4.64	0.01	0.53	-1.31	7.19
294	Crystal Name: 2,4-dinitro-1,3,5-benzenetriol Chemical Formula: C₆H₄N₂O₇ H-M Space Group: P2₁ HD View 3D View Crystal Details	8102314
			e_{1_}	0	0	0	0.08	0	0.11	c_{1_}	26.16	11.71	15.63	0	6.36	0
			e_{2_}	0.1	0	0.1	0	0.11	0	c_{2_}	11.71	19.58	11.21	0	-3.83	0
			e_{3_}	0	0	0	0.07	0	0.09	c_{3_}	15.63	11.21	20.33	0	6.03	0
			d_{1_}	0	0	0	13.09	0	16.25	c_{4_}	0	0	0	9.46	0	-2.93
			d_{2_}	0.48	0.77	1.4	0	8.44	0	c_{5_}	6.36	-3.83	6.03	0	12.05	0
			d_{3_}	0	0	0	10.98	0	12.86	c_{6_}	0	0	0	-2.93	0	9.27
295	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P2₁ HD View 3D View Crystal Details	7200065
			e_{1_}	0	0	0	-0.02	0	-0.1	c_{1_}	34.99	11.83	9.75	0	-1.18	0
			e_{2_}	0.05	0.09	0.08	0	0.01	0	c_{2_}	11.83	21.36	9.74	0	-0.05	0
			e_{3_}	0	0	0	0.04	0	-0.04	c_{3_}	9.75	9.74	16.93	0	1.74	0
			d_{1_}	0	0	0	-2.55	0	-5.98	c_{4_}	0	0	0	4.47	0	0.93
			d_{2_}	-0.12	3.38	2.35	0	6.85	0	c_{5_}	-1.18	-0.05	1.74	0	1.23	0
			d_{3_}	0	0	0	8.72	0	-2.87	c_{6_}	0	0	0	0.93	0	15.59
296	Crystal Name: Urea Chemical Formula: CO(NH₂) H-M Space Group: P–4₂1m HD View 3D View Crystal Details	9011440
			e_{1_}	0	0	0	0.06	0	0	c_{1_}	14.39	13.47	12.44	0	0	0
			e_{2_}	0	0	0	0	0.06	0	c_{2_}	13.47	14.39	12.44	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	12.44	12.44	68.39	0	0	0
			d_{1_}	0	0	0	7.86	0	0	c_{4_}	0	0	0	8.14	0	0
			d_{2_}	0	0	0	0	7.86	0	c_{5_}	0	0	0	0	8.14	0
			d_{3_}	0	0	0	0	0	-1.98	c_{6_}	0	0	0	0	0	17.86
297	Crystal Name: DL-malic acid Chemical Formula: C₄H₆O₅ H-M Space Group: Cc HD View 3D View Crystal Details	5000188
			e_{1_}	0.04	-0.31	-0.22	0	-0.51	0	c_{1_}	0.98	-8.17	0.26	0	2.06	0
			e_{2_}	0	0	0	0.15	0	0.16	c_{2_}	-8.17	-8.9	-3.67	0	1.57	0
			e_{3_}	-0.09	0.42	0.45	0	0.65	0	c_{3_}	0.26	-3.67	5.43	0	0.29	0
			d_{1_}	84.68	-53.52	-69.33	0	-222.52	0	c_{4_}	0	0	0	-2.9	0	1.11
			d_{2_}	-0.04	0.04	0.01	-0.14	0.14	135.04	c_{5_}	2.06	1.57	0.29	0	2.62	0
			d_{3_}	-131.4	73.56	123.51	0	292.33	0	c_{6_}	0	0	0	1.11	0	1.17
298	Crystal Name: [1,2,4]triazolo[4,3-b]-1,2,4,5-tetrazine Chemical Formula: C₃H₂N₆ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	7058070
			e_{1_}	0	0	0	0	0	0	c_{1_}	13.05	9.6	7.54	0	0	0
			e_{2_}	0	0	0	0	0.1	0	c_{2_}	9.6	22.16	17.28	0	0	0
			e_{3_}	0	0	0	0	0	0.07	c_{3_}	7.54	17.28	14.69	0	0	0
			d_{1_}	0	0	0	-0.14	0	0	c_{4_}	0	0	0	10.1	0	0
			d_{2_}	0	0	0	0	48.83	0	c_{5_}	0	0	0	0	1.95	0
			d_{3_}	0	0	0	0	0	16.16	c_{6_}	0	0	0	0	0	4.39
299	Crystal Name: b-glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2300684
			e_{1_}	0	0	0	-0.11	0	0.23	c_{1_}	64.04	13.46	20.9	0	-7.81	0
			e_{2_}	0.03	-0.13	0.11	0	-0.07	0	c_{2_}	13.46	29.5	17.5	0	-2.73	0
			e_{3_}	0	0	0	0.01	0	-0.06	c_{3_}	20.9	17.5	78.83	0	-19.52	0
			d_{1_}	0	0	0	-20.33	0	50.66	c_{4_}	0	0	0	9.05	0	1.42
			d_{2_}	0.93	-6.18	1.92	0	-2.2	0	c_{5_}	-7.81	-2.73	-19.52	0	18.06	0
			d_{3_}	0	0	0	3.52	0	-13.08	c_{6_}	0	0	0	1.42	0	5.18
300	Crystal Name: 3,4-Dihydroxybenzaldehyde Chemical Formula: C₇H₆O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7213183
			e_{1_}	0	0	0	-0.06	0	0.19	c_{1_}	25.27	18.89	12.85	0	1.13	0
			e_{2_}	0.15	0.41	0.03	0	-0.07	0	c_{2_}	18.89	58.95	16.51	0	0.78	0
			e_{3_}	0	0	0	-0.06	0	-0.01	c_{3_}	12.85	16.51	47.3	0	-3.96	0
			d_{1_}	0	0	0	-10.8	0	14.56	c_{4_}	0	0	0	5.29	0	0.13
			d_{2_}	16.92	9.82	-21.55	0	-168.64	0	c_{5_}	1.13	0.78	-3.96	0	1.11	0
			d_{3_}	0	0	0	-10.58	0	-0.47	c_{6_}	0	0	0	0.13	0	13.18

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!