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}
151	Crystal Name: o-formylbenzoic pseudoacid, 3-hydroxyphthalide Chemical Formula: C₈H₆O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2105569
			e_{1_}	0	0	0	0.04	0	0.01	c_{1_}	18.84	6.39	9.22	0	0.77	0
			e_{2_}	0.01	-0.12	0.01	0	0.02	0	c_{2_}	6.39	23.12	11.77	0	-1.06	0
			e_{3_}	0	0	0	-0.16	0	-0.03	c_{3_}	9.22	11.77	35.36	0	4.36	0
			d_{1_}	0	0	0	2.4	0	1.6	c_{4_}	0	0	0	15.4	0	2.54
			d_{2_}	2.16	-7.02	2	0	-0.16	0	c_{5_}	0.77	-1.06	4.36	0	3.08	0
			d_{3_}	0	0	0	-10.57	0	0.47	c_{6_}	0	0	0	2.54	0	3.95
152	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516358
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	21.22	13.27	5.29	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.27	29.64	8.78	0	0	0
			e_{3_}	0.07	0.03	0.04	0	0	0	c_{3_}	5.29	8.78	24	0	0	0
			d_{1_}	0	0	0	0	-107.34	0	c_{4_}	0	0	0	1.49	0	0
			d_{2_}	0	0	0	8.59	0	0	c_{5_}	0	0	0	0	-0.15	0
			d_{3_}	3.62	-1.05	1.09	0	0	0	c_{6_}	0	0	0	0	0	5.35
153	Crystal Name: L-histidine Chemical Formula: C₆H₉N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2108882
			e_{1_}	0	0	0	0.02	0	-0.13	c_{1_}	37.02	12.12	8.79	0	0.19	0
			e_{2_}	0.04	0.06	-0.04	0	-0.04	0	c_{2_}	12.12	20.7	8.51	0	1.4	0
			e_{3_}	0	0	0	0.01	0	0	c_{3_}	8.79	8.51	100.36	0	-12.5	0
			d_{1_}	0	0	0	3.67	0	-14.49	c_{4_}	0	0	0	5.05	0	0.05
			d_{2_}	0.34	5.26	-3.42	0	-20.61	0	c_{5_}	0.19	1.4	-12.5	0	4.24	0
			d_{3_}	0	0	0	1.03	0	-0.01	c_{6_}	0	0	0	0.05	0	8.97
154	Crystal Name: L-Isoleucine D-leucine Chemical Formula: C₁₂H₂₆N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	2003104
			e_{1_}	0	-0.01	-0.01	-0.01	0	0.01	c_{1_}	29.72	12.38	3.5	-0.72	0.84	-1.74
			e_{2_}	-0.01	0.01	0	0	0	0	c_{2_}	12.38	46.3	7.1	-1.95	-0.43	-8.49
			e_{3_}	-0.01	-0.01	-0.01	0	-0.01	0	c_{3_}	3.5	7.1	24.15	-3.03	-0.29	0.51
			d_{1_}	-0.08	0.21	-0.73	-1.28	-0.25	1.29	c_{4_}	-0.72	-1.95	-3.03	5.81	0.88	0.02
			d_{2_}	-0.27	0.47	-0.2	0.17	-0.37	1.06	c_{5_}	0.84	-0.43	-0.29	0.88	3.6	-0.08
			d_{3_}	-0.21	-0.28	-0.27	0.22	-2.65	-0.21	c_{6_}	-1.74	-8.49	0.51	0.02	-0.08	7.66
155	Crystal Name: L-allo-isoleucine:D-leucine Chemical Formula: C₁₂H₂₆N₂O₄ H-M Space Group: P1 HD View 3D View Crystal Details	7212709
			e_{1_}	-0.01	0	-0.02	0	0	-0.01	c_{1_}	29.57	13.12	3.91	-0.8	-0.08	2.28
			e_{2_}	0	-0.01	0.01	-0.01	0	0.01	c_{2_}	13.12	44.98	5.56	-2.18	-0.15	8.93
			e_{3_}	0.01	0.02	0.01	-0.01	-0.01	0	c_{3_}	3.91	5.56	20.02	-2.46	-0.8	0.11
			d_{1_}	-0.3	0.58	-0.9	0.32	0.8	-2.26	c_{4_}	-0.8	-2.18	-2.46	5.76	0.23	-0.11
			d_{2_}	0.14	-0.63	0.34	-2.26	-0.51	1.38	c_{5_}	-0.08	-0.15	-0.8	0.23	4.53	0.63
			d_{3_}	0.15	0.26	0.17	-0.95	-1.91	0.14	c_{6_}	2.28	8.93	0.11	-0.11	0.63	8.26
156	Crystal Name: 1H-Tetrazol-5(4H)-one Chemical Formula: CH₂N₄O H-M Space Group: P4₁2₁2 HD View 3D View Crystal Details	2007511
			e_{1_}	0	0	0	-0.03	0	0	c_{1_}	18.97	17.03	17.77	0	0	0
			e_{2_}	0	0	0	0	0.03	0	c_{2_}	17.03	18.97	17.77	0	0	0
			e_{3_}	0	0	0	0	0	0	c_{3_}	17.77	17.77	28.98	0	0	0
			d_{1_}	0	0	0	-2.53	0	0	c_{4_}	0	0	0	10.54	0	0
			d_{2_}	0	0	0	0	2.53	0	c_{5_}	0	0	0	0	10.54	0
			d_{3_}	0	0	0	0	0	0	c_{6_}	0	0	0	0	0	19.95
157	Crystal Name: 4-formamidobenzaldehyde Chemical Formula: C₈H₇NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4303544
			e_{1_}	0	0	0	0	0	0	c_{1_}	11.07	16.37	15.38	0	-3.14	0
			e_{2_}	-0.05	-0.08	-0.01	0	-0.01	0	c_{2_}	16.37	28.17	19.43	0	-5.97	0
			e_{3_}	0	0	0	-0.04	0	0.02	c_{3_}	15.38	19.43	24.22	0	-5.28	0
			d_{1_}	0	0	0	-0.39	0	-0.33	c_{4_}	0	0	0	7.89	0	-3.73
			d_{2_}	174.49	-65.6	-65.8	0	-32.23	0	c_{5_}	-3.14	-5.97	-5.28	0	6.27	0
			d_{3_}	0	0	0	-5.95	0	-0.95	c_{6_}	0	0	0	-3.73	0	6.4
158	Crystal Name: 5-Methyl L-glutamate Chemical Formula: C₆H₁₁NO₄ H-M Space Group: C1₂1 HD View 3D View Crystal Details	2207177
			e_{1_}	0	0	0	0.02	0	0.13	c_{1_}	49.69	14.54	13.59	0	6.47	0
			e_{2_}	-0.2	-0.16	-0.03	0	-0.04	0	c_{2_}	14.54	21.75	8.02	0	-1.75	0
			e_{3_}	0	0	0	-0.01	0	0.01	c_{3_}	13.59	8.02	26.47	0	10.19	0
			d_{1_}	0	0	0	6.4	0	13.87	c_{4_}	0	0	0	4.97	0	-0.78
			d_{2_}	-2.08	-8.54	5.68	0	-8.03	0	c_{5_}	6.47	-1.75	10.19	0	12.56	0
			d_{3_}	0	0	0	-1.11	0	1.05	c_{6_}	0	0	0	-0.78	0	9.41
159	Crystal Name: Theoretical Structure* Chemical Formula: NA* H-M Space Group: P1 HD View 3D View Crystal Details	7201214
			e_{1_}	0	0	0	0	0	0	c_{1_}	517.62	3.6	2.37	1.81	-2.34	-2.97
			e_{2_}	0	0	0	0	0	0	c_{2_}	3.6	17.06	19.45	4.05	-1.31	-1.72
			e_{3_}	0	0	0	0	0	0	c_{3_}	2.37	19.45	14.2	1.24	-0.89	-1.08
			d_{1_}	0	-0.01	0.01	0.01	-0.03	0.01	c_{4_}	1.81	4.05	1.24	7.47	-1.45	-1.69
			d_{2_}	0	0.05	-0.05	-0.04	0.15	-0.11	c_{5_}	-2.34	-1.31	-0.89	-1.45	2.76	2.48
			d_{3_}	0	-0.06	0.06	0.09	-0.12	0.2	c_{6_}	-2.97	-1.72	-1.08	-1.69	2.48	4.1
160	Crystal Name: 3-(dimethylamino)isobenzofuran-1(3H)-one Chemical Formula: C₁₀H₁₁NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2213008
			e_{1_}	0	0	0	0.01	0	-0.03	c_{1_}	42.03	5.47	7.01	0	1.27	0
			e_{2_}	0.04	-0.02	-0.06	0	0.05	0	c_{2_}	5.47	14.56	9.88	0	-0.48	0
			e_{3_}	0	0	0	0.01	0	0.01	c_{3_}	7.01	9.88	16.8	0	-0.05	0
			d_{1_}	0	0	0	1.98	0	-14.9	c_{4_}	0	0	0	5.03	0	-0.09
			d_{2_}	1.09	1.69	-5.01	0	12.07	0	c_{5_}	1.27	-0.48	-0.05	0	3.7	0
			d_{3_}	0	0	0	2.6	0	2.41	c_{6_}	0	0	0	-0.09	0	2.18
161	Crystal Name: N,N-Dioxopyridazines Chemical Formula: C₄H₄N₂O₂ H-M Space Group: Pc HD View 3D View Crystal Details	1547566
			e_{1_}	0.07	0.08	0.2	0	-0.09	0	c_{1_}	14.71	13.25	6.99	0	-1.67	0
			e_{2_}	0	0	0	-0.09	0	0.05	c_{2_}	13.25	19.87	13.64	0	-0.1	0
			e_{3_}	0.04	0	-0.1	0	0.02	0	c_{3_}	6.99	13.64	28.67	0	-5.44	0
			d_{1_}	-6.99	10.15	-2.4	0	-32.24	0	c_{4_}	0	0	0	7.29	0	-0.48
			d_{2_}	0	0	0	-12.45	0	5.43	c_{5_}	-1.67	-0.1	-5.44	0	3.55	0
			d_{3_}	6.05	-1.42	-3.45	0	4.37	0	c_{6_}	0	0	0	-0.48	0	7.79
162	Crystal Name: L-arabinitol Chemical Formula: C₅H₁₂O₅ H-M Space Group: P1 HD View 3D View Crystal Details	2105209
			e_{1_}	0.18	-0.01	0.12	-0.07	0.02	-0.02	c_{1_}	62.07	16.55	23.47	-1.41	5.03	4.69
			e_{2_}	-0.04	0.21	0.04	-0.02	-0.04	-0.02	c_{2_}	16.55	39.59	12.84	0.51	-4.07	4.74
			e_{3_}	0.1	-0.04	0.07	0.06	0.08	-0.05	c_{3_}	23.47	12.84	40.64	0.59	4.63	4.07
			d_{1_}	2.4	-1.74	2.55	-7.13	-0.08	-2.27	c_{4_}	-1.41	0.51	0.59	8.82	2.03	0.25
			d_{2_}	-2.48	6.52	0.65	-2.96	-0.65	-3	c_{5_}	5.03	-4.07	4.63	2.03	13.15	-2.43
			d_{3_}	1.64	-1.33	1.08	6.29	3.28	-3.28	c_{6_}	4.69	4.74	4.07	0.25	-2.43	13.98
163	Crystal Name: Cyclohexane-1,2,4,5-tetrol monohydrate Chemical Formula: C₆H₁₄O₅ H-M Space Group: C2 HD View 3D View Crystal Details	2014866
			e_{1_}	0	0	0	-0.05	0	0.07	c_{1_}	57.79	6.86	13.17	0	0.76	0
			e_{2_}	0.1	0.42	0.1	0	-0.09	0	c_{2_}	6.86	46.32	20.37	0	-3.08	0
			e_{3_}	0	0	0	0.1	0	-0.06	c_{3_}	13.17	20.37	28.92	0	-2.93	0
			d_{1_}	0	0	0	-3.28	0	6.16	c_{4_}	0	0	0	11.19	0	-1.67
			d_{2_}	2.2	10.61	-6.4	0	-14.57	0	c_{5_}	0.76	-3.08	-2.93	0	5.59	0
			d_{3_}	0	0	0	8.56	0	-4.25	c_{6_}	0	0	0	-1.67	0	10.93
164	Crystal Name: (S)-3-Methyl-3-phenylpyrrolidine-2,5-dione Chemical Formula: C₁₁H₁₁NO₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4511395
			e_{1_}	0	0	0	0.03	0	0	c_{1_}	20.9	11.1	12.14	0	-4.23	0
			e_{2_}	-0.04	0.04	0.02	0	0.04	0	c_{2_}	11.1	18.76	11.36	0	-2.37	0
			e_{3_}	0	0	0	0.03	0	0.01	c_{3_}	12.14	11.36	18.8	0	0.02	0
			d_{1_}	0	0	0	5.42	0	1.38	c_{4_}	0	0	0	5.6	0	-1.71
			d_{2_}	-3.81	4.34	1.12	0	4.8	0	c_{5_}	-4.23	-2.37	0.02	0	7.9	0
			d_{3_}	0	0	0	5.74	0	3.1	c_{6_}	0	0	0	-1.71	0	6.65
165	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566510
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	13.45	14.75	12.17	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.75	13.45	12.17	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.17	12.17	69.97	0	0	0
			d_{1_}	0	0	0	9.61	0	0	c_{4_}	0	0	0	7.94	0	0
			d_{2_}	0	0	0	0	9.61	0	c_{5_}	0	0	0	0	7.94	0
			d_{3_}	0	0	0	0	0	-1.73	c_{6_}	0	0	0	0	0	18.36
166	Crystal Name: Cyclo(alanine-4-hydroxyproline) Chemical Formula: C₈H₁₂N₂O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	2200385
			e_{1_}	0	0	0	0.04	0	0.04	c_{1_}	28.26	17.23	16.35	0	-6.41	0
			e_{2_}	0.02	-0.09	-0.04	0	0.03	0	c_{2_}	17.23	22.8	9.39	0	-2.24	0
			e_{3_}	0	0	0	-0.02	0	-0.02	c_{3_}	16.35	9.39	21.87	0	-1.7	0
			d_{1_}	0	0	0	12	0	6.54	c_{4_}	0	0	0	6.3	0	-6.11
			d_{2_}	21.16	-12.97	-9.72	0	30.22	0	c_{5_}	-6.41	-2.24	-1.7	0	3.99	0
			d_{3_}	0	0	0	-7.18	0	-3.98	c_{6_}	0	0	0	-6.11	0	17.29
167	Crystal Name: Picrotoxane Chemical Formula: C₁₅H₁₈O₆ H-M Space Group: P1 HD View 3D View Crystal Details	1559263
			e_{1_}	-0.15	0.02	0.01	0.01	-0.08	-0.03	c_{1_}	36.43	12.3	12.81	-2.57	1.18	1.84
			e_{2_}	0.07	-0.05	-0.05	-0.07	0.01	0.02	c_{2_}	12.3	31.49	9.44	2.85	-1.58	-2.19
			e_{3_}	0.07	0.03	-0.15	0.01	0	-0.04	c_{3_}	12.81	9.44	24.76	2.82	-0.67	-3.08
			d_{1_}	-3.87	0.68	1.05	-3.12	-14.23	-9.36	c_{4_}	-2.57	2.85	2.82	6.32	-0.41	-0.59
			d_{2_}	2.04	-0.95	-1.38	-9.87	0.48	0.92	c_{5_}	1.18	-1.58	-0.67	-0.41	6.78	-2.17
			d_{3_}	9.45	-1.32	-14.54	10.2	-9.4	-21.11	c_{6_}	1.84	-2.19	-3.08	-0.59	-2.17	5.62
168	Crystal Name: 6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one Chemical Formula: C₁₁H₁₀O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	4128746
			e_{1_}	0	0	0	-0.02	0	0.05	c_{1_}	16.17	10.21	11.23	0	-1.79	0
			e_{2_}	0.02	0.04	-0.02	0	0.02	0	c_{2_}	10.21	16.54	10.21	0	2.18	0
			e_{3_}	0	0	0	0.06	0	0	c_{3_}	11.23	10.21	20.38	0	-5.17	0
			d_{1_}	0	0	0	-4.92	0	9.12	c_{4_}	0	0	0	7.26	0	1.53
			d_{2_}	1.14	3.95	-3.73	0	-0.91	0	c_{5_}	-1.79	2.18	-5.17	0	6.92	0
			d_{3_}	0	0	0	8.48	0	-2.47	c_{6_}	0	0	0	1.53	0	6.28
169	Crystal Name: 4-Hydroxybenzaldehyde oxime monohydrate Chemical Formula: C₇H₉NO₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	1559456
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	40.02	5.05	30.25	0	-0.93	0
			e_{2_}	-0.06	-0.04	-0.34	0	0.14	0	c_{2_}	5.05	170.05	5.98	0	-4.21	0
			e_{3_}	0	0	0	-0.02	0	0	c_{3_}	30.25	5.98	164.35	0	-29.73	0
			d_{1_}	0	0	0	0.1	0	0.57	c_{4_}	0	0	0	40.93	0	-5.74
			d_{2_}	-0.29	-0.08	-1.37	0	3.43	0	c_{5_}	-0.93	-4.21	-29.73	0	27.74	0
			d_{3_}	0	0	0	-0.43	0	-0.15	c_{6_}	0	0	0	-5.74	0	13.28
170	Crystal Name: Phellodenol-A Chemical Formula: C₁₁H₁₀O₄ H-M Space Group: Pc HD View 3D View Crystal Details	8107394
			e_{1_}	-0.01	-0.15	0	0	-0.01	0	c_{1_}	18.37	15.7	18.57	0	8.36	0
			e_{2_}	0	0	0	-0.03	0	-0.07	c_{2_}	15.7	42.62	20.04	0	7.85	0
			e_{3_}	0.01	-0.01	0.04	0	0.01	0	c_{3_}	18.57	20.04	20.81	0	10.81	0
			d_{1_}	-17.3	-8.47	26.09	0	-5.02	0	c_{4_}	0	0	0	8.01	0	4.45
			d_{2_}	0	0	0	4.7	0	-14.78	c_{5_}	8.36	7.85	10.81	0	15.59	0
			d_{3_}	-18.96	-4.08	24.83	0	-4.11	0	c_{6_}	0	0	0	4.45	0	5.85
171	Crystal Name: Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	7219318
			e_{1_}	0.09	-0.09	0	-0.08	0.09	0.03	c_{1_}	38.23	23	19.29	1.29	0.73	0
			e_{2_}	0.03	-0.03	0	0.09	0.08	-0.09	c_{2_}	23	38.23	19.29	-1.29	-0.73	0
			e_{3_}	-0.03	-0.03	0.8	0	0	0	c_{3_}	19.29	19.29	86.05	0	0	0
			d_{1_}	6.21	-6.21	0	-6.51	5.01	2.78	c_{4_}	1.29	-1.29	0	15.04	0	-0.73
			d_{2_}	1.39	-1.39	0	5.01	6.51	-12.43	c_{5_}	0.73	-0.73	0	0	15.04	1.29
			d_{3_}	-3.89	-3.89	11.02	0	0	0	c_{6_}	0	0	0	-0.73	1.29	7.61
172	Crystal Name: Glycine beta Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₂ HD View 3D View Crystal Details	4037663
			e_{1_}	-0.09	0.09	0	0.08	0.09	0.02	c_{1_}	37.87	21.8	20.08	1.52	-1.14	0
			e_{2_}	0.02	-0.02	0	0.09	-0.08	0.09	c_{2_}	21.8	37.87	20.08	-1.52	1.14	0
			e_{3_}	-0.03	-0.03	0.81	0	0	0	c_{3_}	20.08	20.08	91.86	0	0	0
			d_{1_}	-5.87	5.87	0	6.75	4.81	0.97	c_{4_}	1.52	-1.52	0	14.91	0	1.14
			d_{2_}	0.49	-0.49	0	4.8	-6.75	11.75	c_{5_}	-1.14	1.14	0	0	14.91	1.52
			d_{3_}	-4.12	-4.12	10.66	0	0	0	c_{6_}	0	0	0	1.14	1.52	8.03
173	Crystal Name: 4-Cyanoimidazolium-5-olate Chemical Formula: C₄H₃N₃O H-M Space Group: Pna2₁ HD View 3D View Crystal Details	2105612
			e_{1_}	0	0	0	0	0.15	0	c_{1_}	72.03	31.97	14.77	0	0	0
			e_{2_}	0	0	0	0.1	0	0	c_{2_}	31.97	48.45	8.84	0	0	0
			e_{3_}	0.3	0.21	0.02	0	0	0	c_{3_}	14.77	8.84	19.83	0	0	0
			d_{1_}	0	0	0	0	20.58	0	c_{4_}	0	0	0	7.92	0	0
			d_{2_}	0	0	0	13.01	0	0	c_{5_}	0	0	0	0	7.25	0
			d_{3_}	3.8	2.31	-2.96	0	0	0	c_{6_}	0	0	0	0	0	16.02
174	Crystal Name: Arbophyllidine Chemical Formula: C₁₉H₂₀N₂ H-M Space Group: P1 HD View 3D View Crystal Details	1552682
			e_{1_}	0.02	-0.01	0.01	0	-0.01	0	c_{1_}	14.91	12.42	11.52	-0.92	-2.55	0.96
			e_{2_}	-0.02	-0.13	-0.02	-0.04	0	-0.04	c_{2_}	12.42	31.66	9.54	6.42	-1.12	7.39
			e_{3_}	-0.02	-0.05	-0.03	-0.01	0	-0.02	c_{3_}	11.52	9.54	17.29	-1.66	-1.16	-0.14
			d_{1_}	4.57	-3.49	-0.06	4.03	0.39	2.96	c_{4_}	-0.92	6.42	-1.66	7.14	0.08	0.84
			d_{2_}	4.62	-5.79	-0.7	-0.36	1.93	0.57	c_{5_}	-2.55	-1.12	-1.16	0.08	5.55	-2.32
			d_{3_}	1.34	-0.51	-2.7	-1.36	-0.56	-1.97	c_{6_}	0.96	7.39	-0.14	0.84	-2.32	7.08
175	Crystal Name: 2,6-diaminopyridinium nitrate Chemical Formula: C₅H₈N₄O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	8101174
			e_{1_}	0	0	0	0.03	0	-0.01	c_{1_}	21.64	7.69	5.53	0	1.91	0
			e_{2_}	0.02	0.21	-0.07	0	0.01	0	c_{2_}	7.69	35	17.65	0	4.55	0
			e_{3_}	0	0	0	-0.05	0	0.01	c_{3_}	5.53	17.65	27.94	0	3.08	0
			d_{1_}	0	0	0	5.83	0	-7.48	c_{4_}	0	0	0	4.89	0	-0.13
			d_{2_}	-0.23	12.03	-8.7	0	-12.08	0	c_{5_}	1.91	4.55	3.08	0	1.51	0
			d_{3_}	0	0	0	-9.57	0	4.09	c_{6_}	0	0	0	-0.13	0	1.89

Predicted Material Properties Repository and Database (CrystalDFT)

Welcome to the CrystalDFT Database!