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}
623	Crystal Name: (+-)-6-Methyl-6,12-methano-6H,12H,13H-(1)benzopyran(4,3-d)(1,3)benzodioxocin-13-one Chemical Formula: C₁₉H₁₄O₄ H-M Space Group: Cc HD View 3D View Crystal Details	KAPBUY
			e_{1_}	-0.03	0.03	0	0	-0.03	0	c_{1_}	20.89	14.72	12.85	0	2.91	0
			e_{2_}	0	0	0	-0.01	0	0.05	c_{2_}	14.72	22.93	14.91	0	1.94	0
			e_{3_}	-0.02	-0.01	-0.05	0	-0.02	0	c_{3_}	12.85	14.91	17.76	0	1.04	0
			d_{1_}	-3.32	5.13	-1.12	0	-8.9	0	c_{4_}	0	0	0	1.94	0	-0.91
			d_{2_}	0	0	0	5.1	0	18.93	c_{5_}	2.91	1.94	1.04	0	3.81	0
			d_{3_}	0.98	2.87	-5.49	0	-5.62	0	c_{6_}	0	0	0	-0.91	0	3.09
624	Crystal Name: (+-)-4a-Methylhexahydro-2H-indeno(7a,1-b)oxete-2,5(6H)-dione Chemical Formula: C₁₁H₁₄O₃ H-M Space Group: P2₁ HD View 3D View Crystal Details	CILNER01
			e_{1_}	0	0	0	-0.02	0	0	c_{1_}	17.92	7.69	6.62	0	-1.41	0
			e_{2_}	0.02	-0.02	0.08	0	0	0	c_{2_}	7.69	21.62	12.15	0	-0.32	0
			e_{3_}	0	0	0	0.02	0	0.02	c_{3_}	6.62	12.15	20.7	0	-2.09	0
			d_{1_}	0	0	0	-2.85	0	-0.13	c_{4_}	0	0	0	5.97	0	0.03
			d_{2_}	1.34	-5.1	6.73	0	4.81	0	c_{5_}	-1.41	-0.32	-2.09	0	3.54	0
			d_{3_}	0	0	0	3.19	0	3.43	c_{6_}	0	0	0	0.03	0	4.43
625	Crystal Name: (+-)-t-Butyl 3-(1-hydroxy-3-phenylpropyl)oxirane-2-carboxylate Chemical Formula: C₁₆H₂₂O₄ H-M Space Group: P2₁ HD View 3D View Crystal Details	CANMEL
			e_{1_}	0	0	0	0.03	0	0.02	c_{1_}	20.05	11.56	5.27	0	-0.82	0
			e_{2_}	0	-0.03	-0.02	0	0.01	0	c_{2_}	11.56	17.22	6.62	0	0.9	0
			e_{3_}	0	0	0	0	0	0.03	c_{3_}	5.27	6.62	24.24	0	-1.37	0
			d_{1_}	0	0	0	10.63	0	2.24	c_{4_}	0	0	0	2.75	0	0.58
			d_{2_}	3.49	-5.06	0.71	0	15.64	0	c_{5_}	-0.82	0.9	-1.37	0	1.32	0
			d_{3_}	0	0	0	-2.11	0	6.41	c_{6_}	0	0	0	0.58	0	4.93
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

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