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}
326	Crystal Name: (4S)-4-Benzyl-3-[(4S,5S)-(1-methoxy-5-methylcyclohexen-4-yl)carbonyl]-2-oxazolidinone Chemical Formula: C₁₉H₂₃N₁O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2000599
			e_{1_}	0	0	0	0.12	0	-0.07	c_{1_}	2.44	8.08	2.7	0	-3.9	0
			e_{2_}	-0.02	-0.15	0.23	0	-0.09	0	c_{2_}	8.08	148.73	7.94	0	-2.61	0
			e_{3_}	0	0	0	-0.16	0	0.03	c_{3_}	2.7	7.94	15.35	0	-3.82	0
			d_{1_}	0	0	0	-52.22	0.01	68.88	c_{4_}	0	0	0	1.24	0	2.7
			d_{2_}	-4.79	-1.57	19.58	0	11.34	0	c_{5_}	-3.9	-2.61	-3.82	0	-3.21	0
			d_{3_}	0	0	0	39.35	0.01	-76.23	c_{6_}	0	0	0	2.7	0	1.01
327	Crystal Name: (E)-Methyl 2-oxo-4-phenylbut-3-enoate Chemical Formula: C₁₁H₁₀O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2213859
			e_{1_}	0	0	0	-0.01	0	0.01	c_{1_}	25.33	11.56	20	0	-5.71	0
			e_{2_}	-0.01	-0.04	0.14	0	0.04	0	c_{2_}	11.56	12.82	8.9	0	1.35	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	20	8.9	31.36	0	-3.84	0
			d_{1_}	0	0	0	-5.93	0	12.85	c_{4_}	0	0	0	1.75	0	0.28
			d_{2_}	-2.59	-7.98	9.11	0	6	0	c_{5_}	-5.71	1.35	-3.84	0	11.34	0
			d_{3_}	0	0	0	-0.02	0	-12	c_{6_}	0	0	0	0.28	0	0.96
328	Crystal Name: Pestalotioprolide B hydrate Chemical Formula: C₁₄H₂₂O₆ H-M Space Group: P1 HD View 3D View Crystal Details	1553299
			e_{1_}	-0.11	-0.09	-0.07	0	-0.05	0.01	c_{1_}	18.36	13.74	14.19	-0.45	3.6	-1.17
			e_{2_}	0	-0.05	0	0.01	0.03	-0.01	c_{2_}	13.74	26.35	10.22	0.54	-0.03	-1.62
			e_{3_}	0.01	0.07	-0.01	-0.04	-0.01	-0.04	c_{3_}	14.19	10.22	23.73	-1.58	4.46	-2.09
			d_{1_}	-5.87	-1.13	2.43	-2.19	-7.1	-0.03	c_{4_}	-0.45	0.54	-1.58	4.34	-1.49	1.47
			d_{2_}	2.24	-2.98	-0.78	4.66	3.83	-2.74	c_{5_}	3.6	-0.03	4.46	-1.49	6.06	-1.71
			d_{3_}	-0.8	3.74	-2.12	-8.66	-2.6	-5.39	c_{6_}	-1.17	-1.62	-2.09	1.47	-1.71	6.08
329	Crystal Name: Bis[(1H-tetrazol-5-yl)methyl]nitramide Chemical Formula: C₄H₆N₁₀O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2242193
			e_{1_}	0	0	0	0.11	0	0.07	c_{1_}	20	10.81	14.43	0	0.15	0
			e_{2_}	0.07	-0.56	-0.14	0	-0.01	0	c_{2_}	10.81	68.56	11.05	0	-2.31	0
			e_{3_}	0	0	0	-0.07	0	0.04	c_{3_}	14.43	11.05	55.91	0	4.1	0
			d_{1_}	0	0	0	6.35	0	11.21	c_{4_}	0	0	0	16.96	0	0.13
			d_{2_}	10.91	-9.39	-3.27	0	-2.63	0	c_{5_}	0.15	-2.31	4.1	0	6.2	0
			d_{3_}	0	0	0	-3.9	0	7.67	c_{6_}	0	0	0	0.13	0	5.82
330	Crystal Name: Methylammonium L-tartrate Chemical Formula: C₅H₁₁NO₆ H-M Space Group: P1 HD View 3D View Crystal Details	1519975
			e_{1_}	0.06	0.08	-0.07	0	-0.06	-0.02	c_{1_}	26.09	11.33	13.21	0.11	1.74	2.09
			e_{2_}	0.06	0.35	-0.15	0.13	0.16	0.04	c_{2_}	11.33	29.35	13.29	1.25	1.87	5.41
			e_{3_}	-0.16	-0.19	0.53	0.04	-0.01	-0.03	c_{3_}	13.21	13.29	82.29	10.66	10.77	5.46
			d_{1_}	2.54	2.66	-0.78	5.62	-11.56	-1.27	c_{4_}	0.11	1.25	10.66	8.53	3.52	-0.44
			d_{2_}	-1.01	15.06	-9.13	13.41	27.62	-4.51	c_{5_}	1.74	1.87	10.77	3.52	6.89	1.88
			d_{3_}	-7.44	-7.06	10.83	-2.65	-11.93	-2.66	c_{6_}	2.09	5.41	5.46	-0.44	1.88	6.8
331	Crystal Name: L-histidine Chemical Formula: C₆H₉N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2108884
			e_{1_}	0	0	0	0.02	0	-0.12	c_{1_}	36.08	12.23	9.9	0	-0.09	0
			e_{2_}	0.04	0.06	-0.03	0	-0.05	0	c_{2_}	12.23	19.54	7.27	0	1.59	0
			e_{3_}	0	0	0	0	0	-0.01	c_{3_}	9.9	7.27	95.04	0	-12.96	0
			d_{1_}	0	0	0	4.74	0	-13.24	c_{4_}	0	0	0	5.12	0	0.11
			d_{2_}	0.15	6.44	-4.29	0	-25.39	0	c_{5_}	-0.09	1.59	-12.96	0	4.47	0
			d_{3_}	0	0	0	0.23	0	-0.89	c_{6_}	0	0	0	0.11	0	8.92
332	Crystal Name: 4,4-Bipyridyl--(S)-malic acid (1/1),triclinic polymorph Chemical Formula: C₁₄H₁₄N₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	2103127
			e_{1_}	-0.14	0.12	-0.25	-0.13	-0.3	0.03	c_{1_}	-6.53	20.98	-21.59	-9.78	-44.63	-4.4
			e_{2_}	-1.02	-0.02	-2.22	-0.97	-2.23	-0.47	c_{2_}	20.98	20.38	29.21	2.57	12.42	7.86
			e_{3_}	-0.87	0.01	-1.64	-0.81	-1.81	-0.38	c_{3_}	-21.59	29.21	-51.89	-30.48	-83.08	-16.87
			d_{1_}	-8.08	21.76	-19.43	-5.6	23.38	17.77	c_{4_}	-9.78	2.57	-30.48	-5.35	-30.23	-9.94
			d_{2_}	-26.22	-26.05	23.48	8.44	-3.8	51.48	c_{5_}	-44.63	12.42	-83.08	-30.23	-97.53	-24.21
			d_{3_}	-9.39	-37.66	32.25	-10.52	-12.88	27.32	c_{6_}	-4.4	7.86	-16.87	-9.94	-24.21	0.16
333	Crystal Name: N-Nethylphthalimide Chemical Formula: C₉H₇NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2210687
			e_{1_}	0	0	0	-0.02	0	-0.04	c_{1_}	18.43	11.82	8.79	0	-0.15	0
			e_{2_}	-0.02	-0.1	-0.06	0	0	0	c_{2_}	11.82	23.33	15.5	0	1.11	0
			e_{3_}	0	0	0	-0.05	0	0	c_{3_}	8.79	15.5	26.96	0	-5.25	0
			d_{1_}	0	0	0	-1.5	0	-9.34	c_{4_}	0	0	0	8.57	0	0.55
			d_{2_}	2.46	-7	2.08	0	5.45	0	c_{5_}	-0.15	1.11	-5.25	0	4.06	0
			d_{3_}	0	0	0	-5.98	0	0.16	c_{6_}	0	0	0	0.55	0	4.51
334	Crystal Name: 2-[(5-nitrofuran-2-yl)methylidene]hydrazine-1-carboxamide Chemical Formula: C₆H₆N₄O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232080
			e_{1_}	0	0	0	-0.03	0	-0.07	c_{1_}	12.04	13.52	15.61	0	-5.56	0
			e_{2_}	-0.1	-0.16	-0.07	0	0.03	0	c_{2_}	13.52	23.99	14.67	0	-7.75	0
			e_{3_}	0	0	0	-0.08	0	0.04	c_{3_}	15.61	14.67	21.59	0	-9.64	0
			d_{1_}	0	0	0	-35.45	0	-51.44	c_{4_}	0	0	0	8.91	0	-5.53
			d_{2_}	201.84	-53.1	-129.04	0	-35.69	0	c_{5_}	-5.56	-7.75	-9.64	0	14.1	0
			d_{3_}	0	0	0	-13.48	0	-7.39	c_{6_}	0	0	0	-5.53	0	5.25
335	Crystal Name: Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	7112516
			e_{1_}	0.08	-0.08	0	-0.08	0.1	0.02	c_{1_}	37.14	22	19.04	1.48	0.9	0
			e_{2_}	0.02	-0.02	0	0.1	0.08	-0.08	c_{2_}	22	37.14	19.04	-1.48	-0.9	0
			e_{3_}	-0.02	-0.02	0.81	0	0	0	c_{3_}	19.04	19.04	84.12	0	0	0
			d_{1_}	5.22	-5.22	0	-5.86	5.4	1.39	c_{4_}	1.48	-1.48	0	15.78	0	-0.9
			d_{2_}	0.69	-0.69	0	5.4	5.86	-10.44	c_{5_}	0.9	-0.9	0	0	15.78	1.48
			d_{3_}	-4.04	-4.04	11.47	0	0	0	c_{6_}	0	0	0	-0.9	1.48	7.57
336	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516348
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	23.09	14.68	5.37	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	14.68	32.84	9.64	0	0	0
			e_{3_}	0.07	0.03	0.04	0	0	0	c_{3_}	5.37	9.64	24.81	0	0	0
			d_{1_}	0	0	0	0	-74.31	0	c_{4_}	0	0	0	1.78	0	0
			d_{2_}	0	0	0	6.7	0	0	c_{5_}	0	0	0	0	-0.24	0
			d_{3_}	3.36	-1.06	1.31	0	0	0	c_{6_}	0	0	0	0	0	6.2
337	Crystal Name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Chemical Formula: C₇H₁₇NO₅ H-M Space Group: P1 HD View 3D View Crystal Details	4511822
			e_{1_}	-0.02	-0.01	-0.03	0.01	0.03	0.04	c_{1_}	41.85	15.93	12.26	7.24	0.55	-2.36
			e_{2_}	0.04	0.02	-0.01	-0.05	-0.02	-0.01	c_{2_}	15.93	20.91	13.42	1.65	2.15	-0.45
			e_{3_}	0.06	0.01	-0.01	0.07	0	-0.01	c_{3_}	12.26	13.42	34.39	-0.88	0.94	1.59
			d_{1_}	-0.26	0.03	-1.09	2.74	1.19	5.53	c_{4_}	7.24	1.65	-0.88	8.27	4.49	-2.48
			d_{2_}	3.18	0.14	-1.71	-11	2.5	-3.35	c_{5_}	0.55	2.15	0.94	4.49	11.18	0.79
			d_{3_}	-0.71	0.69	0.11	12.51	-5.7	3.2	c_{6_}	-2.36	-0.45	1.59	-2.48	0.79	8.16
338	Crystal Name: C4 H3 N3 O Chemical Formula: C₄H₃N₃O H-M Space Group: Pna2₁ HD View 3D View Crystal Details	2022074
			e_{1_}	0	0	0	0	0.16	0	c_{1_}	71.7	31.83	14.96	0	0	0
			e_{2_}	0	0	0	0.11	0	0	c_{2_}	31.83	47.19	8.8	0	0	0
			e_{3_}	0.31	0.21	0.02	0	0	0	c_{3_}	14.96	8.8	21.23	0	0	0
			d_{1_}	0	0	0	0	23.21	0	c_{4_}	0	0	0	7.4	0	0
			d_{2_}	0	0	0	14.81	0	0	c_{5_}	0	0	0	0	6.91	0
			d_{3_}	3.79	2.45	-2.59	0	0	0	c_{6_}	0	0	0	0	0	17.25
339	Crystal Name: (+-)-trans-1,2-Diaminocyclohexane Chemical Formula: C₆H₁₄N₂ H-M Space Group: P2₁2₁2 HD View 3D View Crystal Details	7206640
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	15.57	6.4	8.28	0	0	0.71
			e_{2_}	0	0	0	0	0.02	0	c_{2_}	6.4	24	2.47	0	0	0.4
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	8.28	2.47	23.72	0	0	-0.09
			d_{1_}	0	0	0	-5.17	-0.21	0	c_{4_}	0	0	0	3.78	-0.24	0
			d_{2_}	0	0	0	0.18	2.76	0	c_{5_}	0	0	0	-0.24	5.84	0
			d_{3_}	0.25	0.02	-0.11	0	0	-4.39	c_{6_}	0.71	0.4	-0.09	0	0	9.92
340	Crystal Name: L-cysteine Chemical Formula: C₃H₇NO₂S H-M Space Group: P1₂1₁ HD View 3D View Crystal Details	2005162
			e_{1_}	0	0	0	-0.02	0	0.06	c_{1_}	47.75	20.11	9.49	0	0.66	0
			e_{2_}	0.11	0.32	-0.06	0	0.01	0	c_{2_}	20.11	39.92	10.4	0	-0.23	0
			e_{3_}	0	0	0	0.07	0	-0.03	c_{3_}	9.49	10.4	23.45	0	-2.99	0
			d_{1_}	0	0	0	-4.57	0	6.76	c_{4_}	0	0	0	5.44	0	1.08
			d_{2_}	-0.51	10.2	-7.01	0	-1.08	0	c_{5_}	0.66	-0.23	-2.99	0	6.16	0
			d_{3_}	0	0	0	13.46	0	-5.03	c_{6_}	0	0	0	1.08	0	9.72
341	Crystal Name: 4-Nitro-2,3,6-triphenyl-1,2-oxazinane Chemical Formula: C₂₂H₂₀N₂O₃ H-M Space Group: P1 HD View 3D View Crystal Details	7153060
			e_{1_}	-0.01	0	0	0.01	0.03	-0.03	c_{1_}	13.54	11.49	11.19	0.01	-0.86	-0.66
			e_{2_}	-0.04	0.01	0.03	0.03	0	0.01	c_{2_}	11.49	15.46	9.52	-2.32	0.46	1.52
			e_{3_}	0.01	0	0.04	0.02	0	0	c_{3_}	11.19	9.52	15.23	0.74	-1.4	2.03
			d_{1_}	-3.53	-0.02	4.23	0.1	9.95	-4.65	c_{4_}	0.01	-2.32	0.74	4.54	0.47	-0.48
			d_{2_}	-29.45	19.5	10.84	14.33	-11.2	-10.55	c_{5_}	-0.86	0.46	-1.4	0.47	3.15	-1.02
			d_{3_}	-4.56	1.29	5.16	5.15	-1.46	-1.57	c_{6_}	-0.66	1.52	2.03	-0.48	-1.02	6.23
342	Crystal Name: But-2-ynoic acid Chemical Formula: C₄H₄O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	7054724
			e_{1_}	0	0	0	-0.06	0	0.06	c_{1_}	15.15	6.03	5.85	0	-1.39	0
			e_{2_}	-0.02	-0.02	-0.01	0	-0.01	0	c_{2_}	6.03	24.43	11.79	0	-3.71	0
			e_{3_}	0	0	0	0.06	0	-0.06	c_{3_}	5.85	11.79	14.95	0	-0.78	0
			d_{1_}	0	0	0	26.01	0	55.61	c_{4_}	0	0	0	11.95	0	-6.63
			d_{2_}	-1.53	-1.3	0.57	0	-3.05	0	c_{5_}	-1.39	-3.71	-0.78	0	4.69	0
			d_{3_}	0	0	0	-22.17	0	-49.6	c_{6_}	0	0	0	-6.63	0	4.21
343	Crystal Name: Theophylline Chemical Formula: C₉H₈N₂O₂ H-M Space Group: Pc HD View 3D View Crystal Details	7121265
			e_{1_}	0.22	-0.12	0.03	0	0.08	0	c_{1_}	29.09	12.98	12.2	0	-5.53	0
			e_{2_}	0	0	0	0.17	0	0.03	c_{2_}	12.98	49.15	24.54	0	-10.49	0
			e_{3_}	0.24	0.16	-0.11	0	-0.09	0	c_{3_}	12.2	24.54	29.35	0	-4.08	0
			d_{1_}	10.76	-3.57	0.65	0	9.06	0	c_{4_}	0	0	0	15.4	0	-8.36
			d_{2_}	0	0	0	23.84	0	23.32	c_{5_}	-5.53	-10.49	-4.08	0	11.38	0
			d_{3_}	10.74	7.64	-14.82	0	-1.19	0	c_{6_}	0	0	0	-8.36	0	9.78
344	Crystal Name: oxaloacetic acid Chemical Formula: C₄H₄O₅ H-M Space Group: Cm HD View 3D View Crystal Details	7245605
			e_{1_}	-0.02	-0.02	0.03	0	0.06	0	c_{1_}	94.21	7.78	53.03	0	53.92	0
			e_{2_}	0	0	0	0.02	0	0	c_{2_}	7.78	17.09	2.75	0	-1.66	0
			e_{3_}	0.11	0.03	-0.03	0	0.04	0	c_{3_}	53.03	2.75	56.33	0	30.37	0
			d_{1_}	-3.27	0.63	1.58	0	3.66	0	c_{4_}	0	0	0	1.82	0	0.79
			d_{2_}	0	0	0	12.71	0	-7.07	c_{5_}	53.92	-1.66	30.37	0	52.72	0
			d_{3_}	3.73	0.73	-3.47	0	-1.12	0	c_{6_}	0	0	0	0.79	0	2.03
345	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566509
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	14.01	14.32	12.24	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.32	14.01	12.24	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.24	12.24	69.39	0	0	0
			d_{1_}	0	0	0	10.15	0	0	c_{4_}	0	0	0	7.94	0	0
			d_{2_}	0	0	0	0	10.15	0	c_{5_}	0	0	0	0	7.94	0
			d_{3_}	0	0	0	0	0	-1.72	c_{6_}	0	0	0	0	0	18.46
346	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566515
			e_{1_}	0	0	0	0.06	0	0	c_{1_}	13.58	12.74	11.85	0	0	0
			e_{2_}	0	0	0	0	0.06	0	c_{2_}	12.74	13.58	11.85	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	11.85	11.85	65.57	0	0	0
			d_{1_}	0	0	0	8	0	0	c_{4_}	0	0	0	8.12	0	0
			d_{2_}	0	0	0	0	8	0	c_{5_}	0	0	0	0	8.12	0
			d_{3_}	0	0	0	0	0	-1.97	c_{6_}	0	0	0	0	0	17.31
347	Crystal Name: tartaric acid dimethyl ether Chemical Formula: C₆H₁₀O₆ H-M Space Group: C2 HD View 3D View Crystal Details	2008148
			e_{1_}	0	0	0	-0.05	0	-0.06	c_{1_}	21.33	9.78	25.5	0	6.48	0
			e_{2_}	-0.05	-0.24	-0.3	0	-0.16	0	c_{2_}	9.78	19.44	9.93	0	-0.38	0
			e_{3_}	0	0	0	-0.18	0	-0.07	c_{3_}	25.5	9.93	62.64	0	27.1	0
			d_{1_}	0	0	0	-5.02	0	-7.92	c_{4_}	0	0	0	7.73	0	1.78
			d_{2_}	13.43	-16.21	-6.07	0	-3.87	0	c_{5_}	6.48	-0.38	27.1	0	23.07	0
			d_{3_}	0	0	0	-21.47	0	-5.31	c_{6_}	0	0	0	1.78	0	5.99
348	Crystal Name: L~s~-Threonine Chemical Formula: C₄H₉NO₃ H-M Space Group: P2₁2₁2₁ HD View 3D View Crystal Details	5000016
			e_{1_}	0	0	0	0.59	0	0	c_{1_}	4.56	8.7	6.16	0	0	0
			e_{2_}	0	0	0	0	-0.07	0	c_{2_}	8.7	1.28	2.45	0	0	0
			e_{3_}	0	0	0	0	0	-0.04	c_{3_}	6.16	2.45	-8.76	0	0	0
			d_{1_}	-0.02	0.06	0.08	-130.41	0	0	c_{4_}	0	0	0	-4.53	0	0
			d_{2_}	0	-0.01	-0.02	0	32.71	0	c_{5_}	0	0	0	0	-2	0
			d_{3_}	0	0.05	0.14	0	0	13.49	c_{6_}	0	0	0	0	0	-2.99
349	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516350
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	22.53	13.93	5.36	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.93	31.53	9.41	0	0	0
			e_{3_}	0.06	0.02	0.03	0	0	0	c_{3_}	5.36	9.41	23.39	0	0	0
			d_{1_}	0	0	0	0	-137.64	0	c_{4_}	0	0	0	1.72	0	0
			d_{2_}	0	0	0	5.87	0	0	c_{5_}	0	0	0	0	-0.12	0
			d_{3_}	3.23	-1.04	1.15	0	0	0	c_{6_}	0	0	0	0	0	5.84
350	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566511
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	13.48	14.44	12.1	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.44	13.48	12.1	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.1	12.1	69.34	0	0	0
			d_{1_}	0	0	0	9.6	0	0	c_{4_}	0	0	0	7.87	0	0
			d_{2_}	0	0	0	0	9.6	0	c_{5_}	0	0	0	0	7.87	0
			d_{3_}	0	0	0	0	0	-1.77	c_{6_}	0	0	0	0	0	18.22

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!