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}
626	Crystal Name: Methyl 4-ethoxy-2,5,6,9,14,14c-hexahydro-1H,4H-indolo[2',3':4,5]azepino[3,2,1-ij]quinoline-14b(8H)-carboxylate ('(+-)-Andransinine',) Chemical Formula: C₂₃H₂₈N₂O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	YOLROI
			e_{1_}	0	0	0	0	0	0.04	c_{1_}	23.11	10.18	10.58	0	-1.93	0
			e_{2_}	0.05	0.04	0.01	0	-0.02	0	c_{2_}	10.18	11.71	10.74	0	-1.37	0
			e_{3_}	0	0	0	0.02	0	-0.02	c_{3_}	10.58	10.74	18.11	0	-2.3	0
			d_{1_}	0	0	0	1.16	0	7.83	c_{4_}	0	0	0	4.11	0	-0.39
			d_{2_}	1.43	4.99	-3.93	0	-3.56	0	c_{5_}	-1.93	-1.37	-2.3	0	4.45	0
			d_{3_}	0	0	0	5.19	0	-4.52	c_{6_}	0	0	0	-0.39	0	4.53
627	Crystal Name: Ammonium hydrogen (+-)-1-malate monohydrate Chemical Formula: C₄H₅O₅₁^-,H₄N₁₁⁺,H₂O₁ H-M Space Group: Cc HD View 3D View Crystal Details	AMHMAN
			e_{1_}	0.15	0.08	0.06	0	-0.08	0	c_{1_}	30.17	16.31	23.84	0	-14.35	0
			e_{2_}	0	0	0	-0.05	0	0.09	c_{2_}	16.31	22.95	13.63	0	0.32	0
			e_{3_}	0.19	0.09	0.25	0	-0.15	0	c_{3_}	23.84	13.63	48.6	0	-20.33	0
			d_{1_}	4.46	2.17	-3.19	0	-4.12	0	c_{4_}	0	0	0	9.23	0	0.12
			d_{2_}	0	0	0	-5.21	0	8.46	c_{5_}	-14.35	0.32	-20.33	0	20.18	0
			d_{3_}	2.77	0.72	1.97	0	-3.66	0	c_{6_}	0	0	0	0.12	0	10.69
628	Crystal Name: 1-hydroxy-11-methyl-5-oxododecahydro-1H-1,9-ethano-5λ5-pyrido[2,1-j]quinolin-14-one ('(+-)-12-eπ-Flabelliformine N-oxide',) Chemical Formula: C₁₆H₂₅N₁O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	KAYTIQ
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	26.22	10.88	10	0	2.02	0
			e_{2_}	0.02	-0.07	-0.04	0	-0.04	0	c_{2_}	10.88	19.39	11.19	0	-0.12	0
			e_{3_}	0	0	0	-0.05	0	0.01	c_{3_}	10	11.19	21.25	0	-2.45	0
			d_{1_}	0	0	0	0.05	0	1.14	c_{4_}	0	0	0	12.24	0	2.24
			d_{2_}	4.87	-4.42	-3.37	0	-13.48	0	c_{5_}	2.02	-0.12	-2.45	0	4.59	0
			d_{3_}	0	0	0	-4.39	0	2.84	c_{6_}	0	0	0	2.24	0	6.12
629	Crystal Name: DL-Aspartic acid-β-hydroxamic acid monohydrate Chemical Formula: C₄H₈N₂O₄,H₂O₁ H-M Space Group: P2₁nb HD View 3D View Crystal Details	JORDID
			e_{1_}	0.15	0.05	-0.05	0	0	0	c_{1_}	57.07	29.13	21.22	0	0	0
			e_{2_}	0	0	0	0	0	0.07	c_{2_}	29.13	49.54	16.71	0	0	0
			e_{3_}	0	0	0	0	0.03	0	c_{3_}	21.22	16.71	29.34	0	0	0
			d_{1_}	4.38	-0.03	-4.71	0	0	0	c_{4_}	0	0	0	8.35	0	0
			d_{2_}	0	0	0	0	0	2.67	c_{5_}	0	0	0	0	12	0
			d_{3_}	0	0	0	0	2.32	0	c_{6_}	0	0	0	0	0	25.26
630	Crystal Name: (+-)-7,7-Dimethyl-6-oxabicyclo(3.2.1)octane-1,5-dicarboxylic acid monohydrate Chemical Formula: C₁₁H₁₆O₅,H₂O₁ H-M Space Group: Pn HD View 3D View Crystal Details	VALMEB
			e_{1_}	0.08	0.07	0.02	0	-0.04	0	c_{1_}	27.87	11.78	12.21	0	1.32	0
			e_{2_}	0	0	0	-0.03	0	0.01	c_{2_}	11.78	31.9	9.77	0	0.06	0
			e_{3_}	0.04	0.04	-0.05	0	0.04	0	c_{3_}	12.21	9.77	22.95	0	-0.46	0
			d_{1_}	2.95	1.43	-1.53	0	-3.54	0	c_{4_}	0	0	0	7.62	0	-3.29
			d_{2_}	0	0	0	-3.97	0	0.18	c_{5_}	1.32	0.06	-0.46	0	11.31	0
			d_{3_}	2.27	1.56	-4.07	0	3.4	0	c_{6_}	0	0	0	-3.29	0	8.87
631	Crystal Name: (+-)-Naupliolide ("(2aS,2a'R,7aR,7bS,8aS,8bS,Z)-6,8a-Dimethyl-2a',3,4,7a,7b,8,8a,8b-octahydro-2H-1-oxacyclo-octa(cd)cyclopropa(a)pentalene-2,7(2aH)-dione",) Chemical Formula: C₁₅H₁₈O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	TAKBUF
			e_{1_}	0	0	0	-0.03	0	-0.04	c_{1_}	23.67	12.45	13.36	0	2.7	0
			e_{2_}	-0.03	-0.05	-0.01	0	-0.01	0	c_{2_}	12.45	18.6	9.47	0	-1.89	0
			e_{3_}	0	0	0	-0.03	0	-0.02	c_{3_}	13.36	9.47	23.2	0	2.08	0
			d_{1_}	0	0	0	-10.79	0	-11.52	c_{4_}	0	0	0	4.42	0	-1.4
			d_{2_}	0.75	-4.02	1.04	0	-3.27	0	c_{5_}	2.7	-1.89	2.08	0	7.21	0
			d_{3_}	0	0	0	-8.57	0	-6.34	c_{6_}	0	0	0	-1.4	0	5.05
632	Crystal Name: (+-)-N-Methyl-S-phenyl-S-(1-(1-hydroxy-2-((trimethylsilyl)oxy)cyclohex-2-enyl)ethyl)sulfoximine ('1-(1-(N-methyl-S-phenylsulfonimidoyl)ethyl)-2-((trimethylsilyl)oxy)cyclohex-2-en-1-ol',) Chemical Formula: C₁₈H₂₉N₁O₃S₁Si₁ H-M Space Group: P2₁ HD View 3D View Crystal Details	SIPCEZ
			e_{1_}	0	0	0	0	0	0.02	c_{1_}	16.23	8.17	10.46	0	-1.97	0
			e_{2_}	-0.01	0.07	0.02	0	-0.01	0	c_{2_}	8.17	21.6	9.15	0	-0.46	0
			e_{3_}	0	0	0	0.03	0	0.01	c_{3_}	10.46	9.15	15.23	0	-1.07	0
			d_{1_}	0	0	0	0.3	0	8.89	c_{4_}	0	0	0	5.65	0	0.28
			d_{2_}	-4.07	3.77	1.75	0	-3.06	0	c_{5_}	-1.97	-0.46	-1.07	0	4.7	0
			d_{3_}	0	0	0	5.41	0	4.08	c_{6_}	0	0	0	0.28	0	2.37
633	Crystal Name: (+-)-cis-6-Acetylamino-5-hydroxy-1,3-dioxepane Chemical Formula: C₇H₁₃N₁O₄ H-M Space Group: Pn HD View 3D View Crystal Details	KOYWOK
			e_{1_}	0.03	0.04	0.13	0	0.05	0	c_{1_}	20.05	8.24	12.34	0	3.15	0
			e_{2_}	0	0	0	-0.02	0	0.06	c_{2_}	8.24	25.34	11.42	0	-4.15	0
			e_{3_}	0.1	0.03	0.04	0	0.03	0	c_{3_}	12.34	11.42	24.51	0	4.42	0
			d_{1_}	-3.68	1.26	5.66	0	5.9	0	c_{4_}	0	0	0	9.58	0	-3.66
			d_{2_}	0	0	0	1.56	0	10.73	c_{5_}	3.15	-4.15	4.42	0	7.23	0
			d_{3_}	5.16	1.43	-2.3	0	4.71	0	c_{6_}	0	0	0	-3.66	0	5.97
634	Crystal Name: (+-)-(2S,3S,4S)-4-Hydroxy-3,5-dimethyl-3-n-propyltetrahydropyran-2-one Chemical Formula: C₁₀H₁₈O₃ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	FICNEL
			e_{1_}	0	0	0	0	-0.02	0	c_{1_}	20.72	8.9	6.67	0	0	0
			e_{2_}	0	0	0	-0.04	0	0	c_{2_}	8.9	23.75	8.34	0	0	0
			e_{3_}	0.02	-0.02	-0.05	0	0	0	c_{3_}	6.67	8.34	16.89	0	0	0
			d_{1_}	0	0	0	0	-4.89	0	c_{4_}	0	0	0	2.08	0	0
			d_{2_}	0	0	0	-21.24	0	0	c_{5_}	0	0	0	0	4.64	0
			d_{3_}	2.34	-0.63	-3.64	0	0	0	c_{6_}	0	0	0	0	0	4.93
635	Crystal Name: (+-)-((2R,3S)-3-(Hydroxymethyl)oxiran-2-yl)(phenyl)methanone Chemical Formula: C₁₀H₁₀O₃ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	ESUZAT
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	30.56	17.69	15.57	0	0	0
			e_{2_}	0	0	0	0.06	0	0	c_{2_}	17.69	21.9	12.13	0	0	0
			e_{3_}	-0.09	0.04	0	0	0	0	c_{3_}	15.57	12.13	13.09	0	0	0
			d_{1_}	0	0	0	0	21.8	0	c_{4_}	0	0	0	2.24	0	0
			d_{2_}	0	0	0	24.89	0	0	c_{5_}	0	0	0	0	2.77	0
			d_{3_}	-8.77	7.1	3.63	0	0	0	c_{6_}	0	0	0	0	0	6.25
636	Crystal Name: DL-2-Amino-2-thiazoline-4-carboxylic acid trihydrate Chemical Formula: C₄H₆N₂O₂S₁,₃(H₂O₁) H-M Space Group: P2₁ab HD View 3D View Crystal Details	IMIPID
			e_{1_}	0.08	-0.02	0.06	0	0	0	c_{1_}	21.48	12.91	15.96	0	0	0
			e_{2_}	0	0	0	0	0	-0.02	c_{2_}	12.91	66.54	23.31	0	0	0
			e_{3_}	0	0	0	0	-0.04	0	c_{3_}	15.96	23.31	31.37	0	0	0
			d_{1_}	3.51	-1.44	1.24	0	0	0	c_{4_}	0	0	0	7.1	0	0
			d_{2_}	0	0	0	0	0	-4.86	c_{5_}	0	0	0	0	7.73	0
			d_{3_}	0	0	0	0	-4.7	0	c_{6_}	0	0	0	0	0	4.8
637	Crystal Name: (+-)-malic acid ('oxaloacetic acid',) Chemical Formula: C₄H₆O₅ H-M Space Group: Cm HD View 3D View Crystal Details	DLMALC14
			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	12.72	0	-7.08	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
638	Crystal Name: Methyl (+-)-1-ethyl-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-pyrrole-2-acetate Chemical Formula: C₂₄H₂₅N₁O₇ H-M Space Group: P1 HD View 3D View Crystal Details	OLOHAY
			e_{1_}	-0.01	0	-0.03	-0.01	0.02	-0.01	c_{1_}	17.41	9.69	8.38	-0.71	1.35	-0.29
			e_{2_}	-0.01	-0.07	-0.01	-0.02	0	0	c_{2_}	9.69	20.6	9.15	1.21	-0.54	1.67
			e_{3_}	0.01	0.01	-0.03	-0.01	-0.01	0	c_{3_}	8.38	9.15	20.55	0.58	-1.69	1.96
			d_{1_}	-1.69	1.97	-0.84	-5.38	4.62	-5.31	c_{4_}	-0.71	1.21	0.58	2.03	-0.83	-0.46
			d_{2_}	0.04	-3.41	1.63	-12.02	-2.99	-3.9	c_{5_}	1.35	-0.54	-1.69	-0.83	3.38	-1.2
			d_{3_}	1.2	1.62	-2.3	-10.57	-8.47	-5.65	c_{6_}	-0.29	1.67	1.96	-0.46	-1.2	2.58
639	Crystal Name: (+-)-α-1,2,3-Trimethyl-4-phenyl-4-piperidinol Chemical Formula: C₁₄H₂₁N₁O₁ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	MEPIPA10
			e_{1_}	0	0	0	0	-0.04	0	c_{1_}	16.82	9.06	12.45	0	0	0
			e_{2_}	0	0	0	-0.01	0	0	c_{2_}	9.06	15.11	8.28	0	0	0
			e_{3_}	-0.08	-0.03	0	0	0	0	c_{3_}	12.45	8.28	28.04	0	0	0
			d_{1_}	0	0	0	0	-7.43	0	c_{4_}	0	0	0	4.3	0	0
			d_{2_}	0	0	0	-1.42	0	0	c_{5_}	0	0	0	0	5.56	0
			d_{3_}	-8.15	1.1	3.4	0	0	0	c_{6_}	0	0	0	0	0	4.52
640	Crystal Name: (+-)-cis-4-(2-Cyclohexylethyl)-3-(cyclohexylmethyl)oxetan-2-one Chemical Formula: C₁₈H₃₀O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	KEKTOK
			e_{1_}	0	0	0	-0.04	0	0.04	c_{1_}	14.19	7.94	8.5	0	0.73	0
			e_{2_}	-0.01	-0.04	0.02	0	0.02	0	c_{2_}	7.94	14.09	8.66	0	-1.91	0
			e_{3_}	0	0	0	-0.03	0	-0.01	c_{3_}	8.5	8.66	29.59	0	-0.14	0
			d_{1_}	0	0	0	-7.48	0	10.23	c_{4_}	0	0	0	3.49	0	-0.94
			d_{2_}	0.11	-3.3	1.6	0	4.65	0	c_{5_}	0.73	-1.91	-0.14	0	3.82	0
			d_{3_}	0	0	0	-9.32	0	-5.75	c_{6_}	0	0	0	-0.94	0	3.25
641	Crystal Name: (+-)-2-naphthyl 2-(6H,12H-5,11-methanoindolo[6,5-c][1,5]benzodiazocin-8-yl)-3-methylbenzoate Chemical Formula: C₃₅H₂₇N₃O₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	GIPRAZ
			e_{1_}	0	0	0	-0.01	0	-0.02	c_{1_}	15.36	11.73	16.15	0	-0.58	0
			e_{2_}	-0.03	0.04	-0.06	0	0.06	0	c_{2_}	11.73	19.34	11.55	0	-0.01	0
			e_{3_}	0	0	0	-0.02	0	0	c_{3_}	16.15	11.55	20.42	0	-4.49	0
			d_{1_}	0	0	0	-6	0	-19.37	c_{4_}	0	0	0	3.05	0	-0.44
			d_{2_}	52.98	3.23	-55.91	0	-40.97	0	c_{5_}	-0.58	-0.01	-4.49	0	3.81	0
			d_{3_}	0	0	0	-7.59	0	-6.34	c_{6_}	0	0	0	-0.44	0	1.01
642	Crystal Name: bis(DL-Alaninium) hexafluorosilicate dihydrate Chemical Formula: ₂(C₃H₈N₁O₂₁⁺),F₆Si₁₂^-,₂(H₂O₁) H-M Space Group: P2₁ HD View 3D View Crystal Details	DEKYOJ
			e_{1_}	0	0	0	0	0	-0.01	c_{1_}	32.14	15.42	21.29	0	-4.39	0
			e_{2_}	0.05	-0.05	-0.04	0	0.13	0	c_{2_}	15.42	25.82	17.48	0	-2.08	0
			e_{3_}	0	0	0	-0.01	0	0.01	c_{3_}	21.29	17.48	34.21	0	-2.79	0
			d_{1_}	0	0	0	-0.15	0	-0.97	c_{4_}	0	0	0	13.03	0	-4.05
			d_{2_}	6.45	-3.18	-2.49	0	13.13	0	c_{5_}	-4.39	-2.08	-2.79	0	10.87	0
			d_{3_}	0	0	0	-0.3	0	0.56	c_{6_}	0	0	0	-4.05	0	10.59
643	Crystal Name: (+-)-(1S,2R,5R,6S)-2-t-Butoxycarbonylamino-bicyclo[3.1.0]hexane-6-carboxylic acid Chemical Formula: C₁₂H₁₉N₁O₄ H-M Space Group: Pca2₁ HD View 3D View Crystal Details	ICUWEK
			e_{1_}	0	0	0	0	0.03	0	c_{1_}	20.46	7.89	9.31	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	7.89	14.3	9.39	0	0	0
			e_{3_}	-0.03	-0.04	-0.07	0	0	0	c_{3_}	9.31	9.39	21.39	0	0	0
			d_{1_}	0	0	0	0	2.62	0	c_{4_}	0	0	0	7.22	0	0
			d_{2_}	0	0	0	0.63	0	0	c_{5_}	0	0	0	0	10.08	0
			d_{3_}	0.44	-0.76	-3.11	0	0	0	c_{6_}	0	0	0	0	0	6.32
644	Crystal Name: (+-)-(1α,4aα,9aβ)-1,3,4,9a-Tetrahydro-2-methyl-2H-1,4a-propanobenzofuro(2,3-c)pyridin-8-ol Chemical Formula: C₁₅H₁₉N₁O₂ H-M Space Group: Pbc2₁ HD View 3D View Crystal Details	CINNAO
			e_{1_}	0	0	0	0	0.06	0	c_{1_}	23.89	7.84	13.01	0	0	0
			e_{2_}	0	0	0	0	0	0	c_{2_}	7.84	20.07	6.23	0	0	0
			e_{3_}	-0.01	-0.03	-0.07	0	0	0	c_{3_}	13.01	6.23	28.37	0	0	0
			d_{1_}	0	0	0	0	5.49	0	c_{4_}	0	0	0	5.31	0	0
			d_{2_}	0	0	0	0.12	0	0	c_{5_}	0	0	0	0	10.25	0
			d_{3_}	1.76	-1.34	-3.1	0	0	0	c_{6_}	0	0	0	0	0	4.42
645	Crystal Name: (+-)-cis-7-(4-methoxyphenyl)-2,2-dimethyl-4-oxa-7-azabicyclo[3.2.0]heptane-3,6-dione Chemical Formula: C₁₄H₁₅N₁O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	FIYCOG
			e_{1_}	0	0	0	-0.01	0	-0.01	c_{1_}	18.13	9.81	11.03	0	-0.6	0
			e_{2_}	-0.02	-0.02	0.01	0	-0.02	0	c_{2_}	9.81	21.95	12.61	0	-0.19	0
			e_{3_}	0	0	0	0.05	0	0.02	c_{3_}	11.03	12.61	15.39	0	1.39	0
			d_{1_}	0	0	0	-1.03	0	-1.44	c_{4_}	0	0	0	5.32	0	0.52
			d_{2_}	-4.17	-2.94	6.75	0	-8.42	0	c_{5_}	-0.6	-0.19	1.39	0	3.73	0
			d_{3_}	0	0	0	9.19	0	3.25	c_{6_}	0	0	0	0.52	0	3.98
646	Crystal Name: (+-)-1,8-Di(azetidinyl)-4,5-dihydroxy-4,5-diphenyloctane-1,8-dione Chemical Formula: C₂₆H₃₂N₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	CIPMET
			e_{1_}	0	0	0	0	0	0.01	c_{1_}	15.96	9.18	9.67	0	-0.11	0
			e_{2_}	0	0.04	0	0	-0.02	0	c_{2_}	9.18	22.01	9.71	0	0.28	0
			e_{3_}	0	0	0	-0.02	0	-0.04	c_{3_}	9.67	9.71	17.79	0	0.83	0
			d_{1_}	0	0	0	0.98	0	3.14	c_{4_}	0	0	0	4.78	0	-0.11
			d_{2_}	-1.3	2.4	0.1	0	-10.86	0	c_{5_}	-0.11	0.28	0.83	0	1.76	0
			d_{3_}	0	0	0	-4.95	0	-8.76	c_{6_}	0	0	0	-0.11	0	4.69
647	Crystal Name: (+-)-(2R,7S)-2-Phenyl-7-(trifluoromethyl)cycloheptanone Chemical Formula: C₁₄H₁₅F₃O₁ H-M Space Group: Pna2₁ HD View 3D View Crystal Details	UZOGAS
			e_{1_}	0	0	0	0	-0.01	0	c_{1_}	20.92	11.43	13.32	0	0	0
			e_{2_}	0	0	0	0.04	0	0	c_{2_}	11.43	15.9	10.07	0	0	0
			e_{3_}	0	0	-0.02	0	0	0	c_{3_}	13.32	10.07	17.54	0	0	0
			d_{1_}	0	0	0	0	-1.6	0	c_{4_}	0	0	0	3.46	0	0
			d_{2_}	0	0	0	11.66	0	0	c_{5_}	0	0	0	0	8.75	0
			d_{3_}	0.86	0.96	-2.34	0	0	0	c_{6_}	0	0	0	0	0	3.45
648	Crystal Name: DL-2,2'-Diamino-4,4'-dithiodibutyric acid ('DL-Homocystine',) Chemical Formula: C₈H₁₆N₂O₄S₂ H-M Space Group: P2₁ HD View 3D View Crystal Details	AMTBUA
			e_{1_}	0	0	0	-0.01	0	0.05	c_{1_}	52.35	14.82	16.14	0	-3	0
			e_{2_}	-0.02	0.04	-0.02	0	0	0	c_{2_}	14.82	30.13	19.17	0	-2.09	0
			e_{3_}	0	0	0	0.05	0	-0.02	c_{3_}	16.14	19.17	53.68	0	-5.7	0
			d_{1_}	0	0	0	-1.43	0	9.76	c_{4_}	0	0	0	5.66	0	0.27
			d_{2_}	-0.67	2.17	-0.9	0	0.2	0	c_{5_}	-3	-2.09	-5.7	0	7.79	0
			d_{3_}	0	0	0	9.41	0	-3.42	c_{6_}	0	0	0	0.27	0	5.31
649	Crystal Name: bis[2-hydroxy-2-(4-hydroxyphenyl)-N-methylethan-1-aminium] 2,3-dihydroxybutanedioate ('bis((+-)-synephrine) L-tarataric acid',) Chemical Formula: ₂(C₉H₁₄N₁O₂₁⁺),C₄H₄O₆₂^- H-M Space Group: P1 HD View 3D View Crystal Details	ZOTYOZ
			e_{1_}	0.03	0.03	0.02	0	0.04	0.04	c_{1_}	22.81	14.62	20.14	4.23	0.18	0.57
			e_{2_}	-0.08	-0.07	0	0	-0.04	0.02	c_{2_}	14.62	30.43	17.92	2.8	1.03	-0
			e_{3_}	-0.02	-0.05	-0.05	-0.01	-0.02	-0.02	c_{3_}	20.14	17.92	38.31	11.65	-3.08	-0.04
			d_{1_}	-0.03	-0.21	0.18	5.81	17.86	7.25	c_{4_}	4.23	2.8	11.65	7.81	-3.21	1.41
			d_{2_}	-5.61	-1.9	6.9	-14.42	-16	4.65	c_{5_}	0.18	1.03	-3.08	-3.21	3.86	-0.7
			d_{3_}	1.37	-0.78	-1.66	-1.75	-7.12	-3.13	c_{6_}	0.57	-0	-0.04	1.41	-0.7	6.24
650	Crystal Name: (1'R,2'R,6'S,7'S,9'S*)-(+-)-1'-Methoxy-4',7'-dimethyl-5'-oxodispiro(cyclopropane-1,8'-cis,exo-(10)oxa-tricyclo(5.2.1.02,6)dec-3-ene-9',2''-oxirane) Chemical Formula: C₁₅H₁₈O₄ H-M Space Group: Cc HD View 3D View Crystal Details	PODHEV
			e_{1_}	0.02	-0.03	-0.01	0	-0.01	0	c_{1_}	29.56	10.79	9.87	0	0.68	0
			e_{2_}	0	0	0	0.03	0	0.02	c_{2_}	10.79	17.18	10.24	0	0.19	0
			e_{3_}	0.01	0.01	-0.01	0	0.04	0	c_{3_}	9.87	10.24	26.96	0	-1.42	0
			d_{1_}	1.83	-2.56	-0.16	0	-1.79	0	c_{4_}	0	0	0	4.46	0	-0.33
			d_{2_}	0	0	0	6.92	0	6.97	c_{5_}	0.68	0.19	-1.42	0	6.28	0
			d_{3_}	0.14	0.98	-0.55	0	5.65	0	c_{6_}	0	0	0	-0.33	0	3.66

Predicted Material Properties Repository and Database (CrystalDFT)

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