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}
76	Crystal Name: 4,4-Dimethyl-3,5,8,10-tetraoxatricyclo[5.2.1.0^2,6^]decane Chemical Formula: C₈H₁₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	2201223
			e_{1_}	0	0	0	-0.04	0	-0.01	c_{1_}	27.19	8.2	10.05	0	-2.62	0
			e_{2_}	0.05	-0.06	0	0	-0.03	0	c_{2_}	8.2	17.15	10.08	0	-1.77	0
			e_{3_}	0	0	0	-0.06	0	-0.07	c_{3_}	10.05	10.08	20.66	0	-1.33	0
			d_{1_}	0	0	0	-7.11	0	-5.72	c_{4_}	0	0	0	7.99	0	-2.1
			d_{2_}	2.68	-6.13	1.53	0	-4.45	0	c_{5_}	-2.62	-1.77	-1.33	0	7.83	0
			d_{3_}	0	0	0	-13.07	0	-21.21	c_{6_}	0	0	0	-2.1	0	4.47
77	Crystal Name: 2H-chromene-2-one Chemical Formula: C₉H₆O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	1546048
			e_{1_}	0	0	0	0.06	0	0.05	c_{1_}	11.42	7.85	7.24	0	5.39	0
			e_{2_}	0.03	-0.03	0.1	0	0.09	0	c_{2_}	7.85	21.5	15.53	0	2.73	0
			e_{3_}	0	0	0	-0.03	0	0	c_{3_}	7.24	15.53	20.23	0	4.87	0
			d_{1_}	0	0	0	5.17	0	56.76	c_{4_}	0	0	0	4.79	0	0.71
			d_{2_}	14.91	-17.32	19.39	0	-27	0	c_{5_}	5.39	2.73	4.87	0	1.43	0
			d_{3_}	0	0	0	-6.63	0.01	3.97	c_{6_}	0	0	0	0.71	0	0.82
78	Crystal Name: Aminoguanidinium Dinitramide, monoclinic (alpha) polymorph Chemical Formula: CH₇N₇O₄ H-M Space Group: Pc HD View 3D View Crystal Details	4300230
			e_{1_}	-0.29	-0.02	0.06	0	-0.03	0	c_{1_}	28.51	3.37	3.16	0	-3.48	0
			e_{2_}	0	0	0	0.03	0	0.01	c_{2_}	3.37	15.03	3.55	0	0.53	0
			e_{3_}	0.04	-0.06	-0.12	0	-0.02	0	c_{3_}	3.16	3.55	25.92	0	-0.61	0
			d_{1_}	-15.59	2.68	3.04	0	-38.55	0	c_{4_}	0	0	0	5.47	0	0.14
			d_{2_}	0	0	0	4.73	0	5.14	c_{5_}	-3.48	0.53	-0.61	0	2.27	0
			d_{3_}	1.33	-2.99	-4.63	0	-8.49	0	c_{6_}	0	0	0	0.14	0	2.39
79	Crystal Name: Formylurea Chemical Formula: C₂H₄N₂O₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	7120393
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	24.84	6.02	2.42	0	0	0
			e_{2_}	-1.28	-0.44	-0.27	0	0	0	c_{2_}	6.02	43.95	18.28	0	0	0
			e_{3_}	0	0	0	-0.06	0	0	c_{3_}	2.42	18.28	20.24	0	0	0
			d_{1_}	0	0	0	0	0	2.93	c_{4_}	0	0	0	9.84	0	0
			d_{2_}	-51	-0.21	-6.89	0	0	0	c_{5_}	0	0	0	0	1.33	0
			d_{3_}	0	0	0	-6.51	0	0	c_{6_}	0	0	0	0	0	3.95
80	Crystal Name: 2-Phenoxyacetohydrazide Chemical Formula: C₈H₁₀N₂O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	2224638
			e_{1_}	0	0	0	0.02	0	-0.14	c_{1_}	20.23	11.18	14.95	0	-1.34	0
			e_{2_}	-0.09	-0.03	0.03	0	0.01	0	c_{2_}	11.18	18.47	11.61	0	3.1	0
			e_{3_}	0	0	0	-0.01	0	0.02	c_{3_}	14.95	11.61	20.45	0	0.15	0
			d_{1_}	0	0	0	20.83	0	-23.85	c_{4_}	0	0	0	4.24	0	2.96
			d_{2_}	-12.48	-0.84	11.13	0	-0.77	0	c_{5_}	-1.34	3.1	0.15	0	8.98	0
			d_{3_}	0	0	0	-6.33	0	5.02	c_{6_}	0	0	0	2.96	0	8.33
81	Crystal Name: (R)-(--)-1,1-Diphenyl-3-piperidiniobutan-1-ol (R,R)-tartrate Chemical Formula: C₂₅H₃₃NO₇ H-M Space Group: P1 HD View 3D View Crystal Details	1559659
			e_{1_}	0.01	0.02	0.07	0.02	-0.04	0	c_{1_}	0.67	-0.87	0.96	-2.61	-1.32	-0.09
			e_{2_}	-0.03	0.04	0.01	0.01	-0.01	0.02	c_{2_}	-0.87	-0.24	-1.73	-1.02	-0.92	1.21
			e_{3_}	0.01	0.02	-0.01	0	-0.03	-0.01	c_{3_}	0.96	-1.73	1.22	0.73	-0.63	0.22
			d_{1_}	14.64	-28.34	6.66	2.13	19.46	47.67	c_{4_}	-2.61	-1.02	0.73	0.95	0.2	0.37
			d_{2_}	2.93	-5.07	-8.72	6.43	7.36	28.83	c_{5_}	-1.32	-0.92	-0.63	0.2	-0.81	-0.54
			d_{3_}	0.43	-5.04	-0.41	-16.09	23.74	18.73	c_{6_}	-0.09	1.21	0.22	0.37	-0.54	0.93
82	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516349
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	20.72	12.32	4.8	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	12.32	28.5	8.37	0	0	0
			e_{3_}	0.06	0.03	0.04	0	0	0	c_{3_}	4.8	8.37	23.08	0	0	0
			d_{1_}	0	0	0	0	-42.65	0	c_{4_}	0	0	0	1.89	0	0
			d_{2_}	0	0	0	7.72	0	0	c_{5_}	0	0	0	0	-0.46	0
			d_{3_}	3.12	-0.79	1.31	0	0	0	c_{6_}	0	0	0	0	0	5.36
83	Crystal Name: C1.25 H3 O Chemical Formula: C₁.₂₅H₃O H-M Space Group: I–4 HD View 3D View Crystal Details	2022073
			e_{1_}	0	0	0	-0.01	0	0	c_{1_}	64.72	43.75	7.25	0	0	1.56
			e_{2_}	0	0	0	0	-0.01	0	c_{2_}	43.75	64.72	7.25	0	0	-1.56
			e_{3_}	-0.06	0.06	0	0	0	0.1	c_{3_}	7.25	7.25	24.62	0	0	0
			d_{1_}	0	0	0	-1.92	-0.63	0	c_{4_}	0	0	0	5.25	0	0
			d_{2_}	0	0	0	0.63	-1.92	0	c_{5_}	0	0	0	0	5.25	0
			d_{3_}	-3.47	3.47	0	0	0	6.68	c_{6_}	1.56	-1.56	0	0	0	16.34
84	Crystal Name: n-butanol Chemical Formula: C₄H₁₀O H-M Space Group: P1 HD View 3D View Crystal Details	2105941
			e_{1_}	0.13	0.05	0.04	-0.06	-0.01	0	c_{1_}	26.57	6.39	4.28	-4.04	0.15	0.51
			e_{2_}	0.01	0.02	0.04	-0.01	-0.02	0.01	c_{2_}	6.39	13.06	9.09	-2.69	-0.74	0.59
			e_{3_}	0	0.01	0.02	0	0.02	-0.03	c_{3_}	4.28	9.09	9.4	-1.48	-0.11	-0.57
			d_{1_}	3.7	-3.78	7.69	-3.07	21.4	21.78	c_{4_}	-4.04	-2.69	-1.48	8.41	0.08	-0.88
			d_{2_}	-0.04	-7.21	11.79	-0.72	5.9	10.84	c_{5_}	0.15	-0.74	-0.11	0.08	3.73	-4.03
			d_{3_}	-0.61	-5.07	9.77	1.86	30.35	24.7	c_{6_}	0.51	0.59	-0.57	-0.88	-4.03	4.07
85	Crystal Name: 4-Methyl-4-(N-(2-(t-butoxycarbonylamino)ethyl)carbamoyl)-2,2-bipyridine Chemical Formula: C₁₉H₂₄N₄O₃ H-M Space Group: P1 HD View 3D View Crystal Details	7008282
			e_{1_}	-0.07	0.02	-0.04	0.02	0.01	-0.01	c_{1_}	32.86	8.34	5.75	0.15	-0.92	0.2
			e_{2_}	0.07	0	0.03	-0.02	-0.01	-0.01	c_{2_}	8.34	21.61	11.78	-4.88	0.92	-1.59
			e_{3_}	0.05	0	-0.01	0	-0.01	-0.01	c_{3_}	5.75	11.78	9.99	-8.07	0.82	-2.4
			d_{1_}	-3.3	5.33	-2.15	5.3	-1.38	8.51	c_{4_}	0.15	-4.88	-8.07	7.47	2.16	-1.25
			d_{2_}	2.1	-4.18	6.55	1.47	-3.92	-6.64	c_{5_}	-0.92	0.92	0.82	2.16	4.11	0.13
			d_{3_}	1.11	-0.43	2.06	3.11	-3.71	2.35	c_{6_}	0.2	-1.59	-2.4	-1.25	0.13	0.1
86	Crystal Name: NA Chemical Formula: C₁₉H₂₃NO₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	1520689
			e_{1_}	0	0	0	9.1	0	-26.32	c_{1_}	203.18	10.92	23.24	0	-12.34	0
			e_{2_}	0.42	-0.06	-0.12	0	0.02	0	c_{2_}	10.92	248.31	17.4	0	-5.03	0
			e_{3_}	0	0	0	-0.07	0	0.31	c_{3_}	23.24	17.4	70.76	0	-19.49	0
			d_{1_}	0	0	0	-49.81	0	3.33	c_{4_}	0	0	0	-152.6	0	449.78
			d_{2_}	2.36	-0.16	-2.2	0	0.59	0	c_{5_}	-12.34	-5.03	-19.49	0	13.93	0
			d_{3_}	0	0	0	2.51	0	0.69	c_{6_}	0	0	0	449.78	0	-1178.37
87	Crystal Name: (S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine-5-carboxylic acid ((S)-(-)-5-HPCA) Chemical Formula: C₇H₁₀N₂O₅ H-M Space Group: P2₁ HD View 3D View Crystal Details	7151577
			e_{1_}	0	0	0	0.01	0	0.01	c_{1_}	23.3	11.74	12.1	0	-1.37	0
			e_{2_}	-0.04	-0.11	0.02	0	-0.01	0	c_{2_}	11.74	39.36	12.45	0	-1.62	0
			e_{3_}	0	0	0	-0.02	0	0.01	c_{3_}	12.1	12.45	117.15	0	-19.26	0
			d_{1_}	0	0	0	2.03	0	4.47	c_{4_}	0	0	0	10.84	0	-2.27
			d_{2_}	-0.36	-2.76	0.33	0	-0.97	0	c_{5_}	-1.37	-1.62	-19.26	0	7.48	0
			d_{3_}	0	0	0	-1.63	0	3.05	c_{6_}	0	0	0	-2.27	0	3.23
88	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566505
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	14.54	14.76	12.48	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.76	14.54	12.48	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.48	12.48	70.99	0	0	0
			d_{1_}	0	0	0	9.78	0	0	c_{4_}	0	0	0	8.09	0	0
			d_{2_}	0	0	0	0	9.78	0	c_{5_}	0	0	0	0	8.09	0
			d_{3_}	0	0	0	0	0	-1.61	c_{6_}	0	0	0	0	0	19.01
89	Crystal Name: urea Chemical Formula: CH₄N₂O H-M Space Group: P–4₂1m HD View 3D View Crystal Details	1566503
			e_{1_}	0	0	0	0.08	0	0	c_{1_}	14.97	14.69	12.64	0	0	0
			e_{2_}	0	0	0	0	0.08	0	c_{2_}	14.69	14.97	12.64	0	0	0
			e_{3_}	0	0	0	0	0	-0.03	c_{3_}	12.64	12.64	71.77	0	0	0
			d_{1_}	0	0	0	9.18	0	0	c_{4_}	0	0	0	8.65	0	0
			d_{2_}	0	0	0	0	9.18	0	c_{5_}	0	0	0	0	8.65	0
			d_{3_}	0	0	0	0	0	-1.58	c_{6_}	0	0	0	0	0	19.44
90	Crystal Name: 1-deoxy-1-morpholino-D-fructopyranose Chemical Formula: C₁₀H₁₉NO₆ H-M Space Group: P1 HD View 3D View Crystal Details	2016158
			e_{1_}	0.02	0.12	-0.15	-0.04	-0.04	-0.03	c_{1_}	20.91	11.44	14.73	3	-0.92	2.39
			e_{2_}	0	-0.18	-0.06	-0.01	-0.03	0.08	c_{2_}	11.44	35.71	11.33	2.88	1	-2.29
			e_{3_}	-0.02	0	-0.07	-0.03	-0.02	-0.01	c_{3_}	14.73	11.33	49.86	6.74	8.16	1.49
			d_{1_}	2.31	4.03	-3.96	-3.77	-0.03	-2.83	c_{4_}	3	2.88	6.74	8.71	2.26	0.45
			d_{2_}	1.1	-4.81	0.02	0.47	-5.2	9.39	c_{5_}	-0.92	1	8.16	2.26	5.87	0.05
			d_{3_}	-0.54	0.7	-0.68	-2.19	-2.19	-0.27	c_{6_}	2.39	-2.29	1.49	0.45	0.05	7.06
91	Crystal Name: 2,4,6-tricyano-1,3,5-triazine Chemical Formula: C₆N₆ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232406
			e_{1_}	0	0	0	-0.02	0	-0.01	c_{1_}	14.87	9.52	10.5	0	0.26	0
			e_{2_}	0.04	0.04	0.01	0	-0.01	0	c_{2_}	9.52	16.31	11.21	0	0.91	0
			e_{3_}	0	0	0	0.04	0	0	c_{3_}	10.5	11.21	15.86	0	-0.62	0
			d_{1_}	0	0	0	-4.13	0	-0.39	c_{4_}	0	0	0	5.58	0	0.99
			d_{2_}	3.5	3.32	-4.12	0	-2.71	0	c_{5_}	0.26	0.91	-0.62	0	6.03	0
			d_{3_}	0	0	0	6.8	0	-1.63	c_{6_}	0	0	0	0.99	0	5.9
92	Crystal Name: pyridine-2,4-dicarboxylic acid and serine Chemical Formula: C₁₀H₁₂N₂O₇ H-M Space Group: P1 HD View 3D View Crystal Details	2217301
			e_{1_}	-0.13	-0.04	-0.05	0	0.05	0.07	c_{1_}	35.96	16.83	29.56	4.14	-16.49	-5.44
			e_{2_}	0.02	0.01	0.04	0.03	-0.01	0.01	c_{2_}	16.83	44.17	14.94	2.52	-2.27	-9.71
			e_{3_}	-0.09	-0.04	-0.04	0	-0.01	0.05	c_{3_}	29.56	14.94	40.79	0.44	-22.21	-2.54
			d_{1_}	-6.75	3.52	2.55	9.21	-1.18	15.09	c_{4_}	4.14	2.52	0.44	9.73	-0.93	-5.09
			d_{2_}	-1.04	1.12	1.87	6.31	0.37	6.52	c_{5_}	-16.49	-2.27	-22.21	-0.93	19.58	2.37
			d_{3_}	-4.36	3.72	-3.12	6.89	-8.41	12.9	c_{6_}	-5.44	-9.71	-2.54	-5.09	2.37	8.19
93	Crystal Name: 1-(Carboxymethyl)uracil Chemical Formula: C₆H₆N₂O₄ H-M Space Group: Pc HD View 3D View Crystal Details	2206398
			e_{1_}	0.14	0.01	0	0	-0.09	0	c_{1_}	26.22	16.9	15.17	0	-1.45	0
			e_{2_}	0	0	0	-0.08	0	0.08	c_{2_}	16.9	17.87	14.35	0	1.47	0
			e_{3_}	-0.04	-0.01	-0.09	0	0.08	0	c_{3_}	15.17	14.35	40.47	0	1.45	0
			d_{1_}	9.88	-7.41	-0.58	0	-10.84	0	c_{4_}	0	0	0	6.82	0	1.34
			d_{2_}	0	0	0	-14.19	0	11.69	c_{5_}	-1.45	1.47	1.45	0	5.81	0
			d_{3_}	1.72	-0.9	-3.03	0	15.43	0	c_{6_}	0	0	0	1.34	0	8.72
94	Crystal Name: 5-((5-Nitro-2H-tetrazol-2-yl)methyl)-1H-tetrazole monohydrate Chemical Formula: C₃H₅N₉O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7200617
			e_{1_}	0	0	0	0.03	0	-0.05	c_{1_}	31.9	11.26	9.74	0	-5.02	0
			e_{2_}	-0.08	0.65	-0.02	0	0.07	0	c_{2_}	11.26	59.18	7.25	0	-1.98	0
			e_{3_}	0	0	0	0.01	0	0.01	c_{3_}	9.74	7.25	29.89	0	-0.82	0
			d_{1_}	0	0	0	6.74	0	-5.54	c_{4_}	0	0	0	3.92	0	-0.65
			d_{2_}	-4.35	12.48	-1.99	0	11.44	0	c_{5_}	-5.02	-1.98	-0.82	0	5.93	0
			d_{3_}	0	0	0	2.49	0	1.04	c_{6_}	0	0	0	-0.65	0	7.57
95	Crystal Name: Histamine Free base Chemical Formula: C₅H₁₃N₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	7232928
			e_{1_}	0	0	0	0.07	0	-0.02	c_{1_}	12.08	9.34	13.68	0	2.14	0
			e_{2_}	-0.01	-0.04	-0.06	0	0.03	0	c_{2_}	9.34	15.24	15.13	0	0.27	0
			e_{3_}	0	0	0	-0.1	0	0.01	c_{3_}	13.68	15.13	39.08	0	5.76	0
			d_{1_}	0	0	0	8.68	0	-3.54	c_{4_}	0	0	0	8.31	0	0.02
			d_{2_}	2.81	-1.69	-2.81	0	7.14	0	c_{5_}	2.14	0.27	5.76	0	6.24	0
			d_{3_}	0	0	0	-12.05	0	1.12	c_{6_}	0	0	0	0.02	0	6.36
96	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516347
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	21.7	13.23	5.22	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.23	30.32	9	0	0	0
			e_{3_}	0.07	0.02	0.03	0	0	0	c_{3_}	5.22	9	23.22	0	0	0
			d_{1_}	0	0	0	0	-85.3	0	c_{4_}	0	0	0	1.85	0	0
			d_{2_}	0	0	0	5.91	0	0	c_{5_}	0	0	0	0	-0.22	0
			d_{3_}	3.61	-1.13	1.1	0	0	0	c_{6_}	0	0	0	0	0	5.5
97	Crystal Name: Gamma Glycine Chemical Formula: C₂H₅NO₂ H-M Space Group: P3₁ HD View 3D View Crystal Details	4504972
			e_{1_}	0.08	-0.08	0	-0.08	0.09	0.03	c_{1_}	36.06	20.48	18.01	1.2	0.73	0
			e_{2_}	0.03	-0.03	0	0.09	0.08	-0.08	c_{2_}	20.48	36.06	18.01	-1.2	-0.73	0
			e_{3_}	-0.02	-0.02	0.81	0	0	0	c_{3_}	18.01	18.01	85.17	0	0	0
			d_{1_}	5.33	-5.33	0	-6.37	5.2	1.91	c_{4_}	1.2	-1.2	0	15.09	0	-0.73
			d_{2_}	0.96	-0.96	0	5.2	6.37	-10.66	c_{5_}	0.73	-0.73	0	0	15.09	1.2
			d_{3_}	-3.97	-3.97	11.19	0	0	0	c_{6_}	0	0	0	-0.73	1.2	7.79
98	Crystal Name: (R,R)-tartaric acid pyrazine Chemical Formula: C₈H₁₀N₂O₆ H-M Space Group: P1 HD View 3D View Crystal Details	7205663
			e_{1_}	0.12	0.04	0.06	-0.04	-0.07	-0.02	c_{1_}	39.64	15.97	25.4	9.65	-17.17	-11.63
			e_{2_}	-0.06	0	-0.09	-0.03	-0.04	0.03	c_{2_}	15.97	21.35	16.37	-1.14	-3.26	-6.5
			e_{3_}	0.05	0.07	-0.06	0.04	-0.01	-0.01	c_{3_}	25.4	16.37	34.8	7.1	-18.75	-9.45
			d_{1_}	6.42	2.92	-8.47	-18.95	-20.16	10.91	c_{4_}	9.65	-1.14	7.1	12.03	-11.59	-4.16
			d_{2_}	0.18	15.24	-19.3	-14.63	-33.94	22.17	c_{5_}	-17.17	-3.26	-18.75	-11.59	22.17	10.55
			d_{3_}	0.85	14.53	-13.84	3.45	-12.31	9.68	c_{6_}	-11.63	-6.5	-9.45	-4.16	10.55	11.27
99	Crystal Name: 2,3-Dideoxy-D-erythro-hex-2-enono-1,4-lactone Chemical Formula: C₆H₈O₄ H-M Space Group: P1 HD View 3D View Crystal Details	2003673
			e_{1_}	0.01	-0.1	-0.12	0.01	0.03	0.07	c_{1_}	19.5	11.99	12.47	1.8	-0.83	-1.78
			e_{2_}	0.05	0.1	0.27	0.12	-0.05	0.01	c_{2_}	11.99	22.35	23.12	4.28	-1.55	-1.77
			e_{3_}	0.04	-0.02	0.1	0.09	-0.12	0	c_{3_}	12.47	23.12	51.01	8.61	-7.03	-5.55
			d_{1_}	6.21	-9.41	2.03	5.3	8.73	12.72	c_{4_}	1.8	4.28	8.61	10.35	-5.54	1.32
			d_{2_}	0.16	-3.63	6.48	11.28	7.85	4.44	c_{5_}	-0.83	-1.55	-7.03	-5.54	7.02	0.11
			d_{3_}	3.63	-5.16	1.15	0.44	-16.13	1.14	c_{6_}	-1.78	-1.77	-5.55	1.32	0.11	5.45
100	Crystal Name: Pyrimidine Chemical Formula: C₄H₄N₂ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	4516356
			e_{1_}	0	0	0	0	0.02	0	c_{1_}	21.69	13.25	5.16	0	0	0
			e_{2_}	0	0	0	0.01	0	0	c_{2_}	13.25	30.18	9.01	0	0	0
			e_{3_}	0.08	0.02	0.04	0	0	0	c_{3_}	5.16	9.01	23.14	0	0	0
			d_{1_}	0	0	0	0	-56.82	0	c_{4_}	0	0	0	1.63	0	0
			d_{2_}	0	0	0	5.4	0	0	c_{5_}	0	0	0	0	-0.35	0
			d_{3_}	4.05	-1.37	1.18	0	0	0	c_{6_}	0	0	0	0	0	5.38

Predicted Material Properties Repository and Database (CrystalDFT)

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