Ca3DyCr2(MoO6)2
Alexandria ALEXAlex-ID: agm010879787 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
DyCrO3 CaCr2O4 Ca3MoO6 CaMoO3 CaMoO4
2024-04-07 21:42:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010879787).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm010879787
data_agm010879787
_cell_length_a 5.43082
_cell_length_b 5.68294
_cell_length_c 7.72573
_cell_angle_alpha 90.10187
_cell_angle_beta 89.92016
_cell_angle_gamma 89.47037
_cell_volume 238.42828
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca 0.98170 0.05189 0.74641 1.00000
Ca2 Ca 0.51175 0.55244 0.74630 1.00000
Ca3 Ca 0.01745 0.94672 0.25356 1.00000
Dy1 Dy 0.48535 0.43390 0.25435 1.00000
Cr1 Cr 0.99852 0.49980 0.49824 1.00000
Cr2 Cr 0.50145 0.99848 0.00025 1.00000
Mo1 Mo 0.99932 0.50244 0.99720 1.00000
Mo2 Mo 0.50232 0.99561 0.50255 1.00000
O1 O 0.20472 0.20944 0.44377 1.00000
O2 O 0.69567 0.30423 0.95542 1.00000
O3 O 0.80719 0.79782 0.54857 1.00000
O4 O 0.30358 0.69525 0.05585 1.00000
O5 O 0.69460 0.31144 0.54076 1.00000
O6 O 0.20743 0.21343 0.05944 1.00000
O7 O 0.30297 0.68704 0.44382 1.00000
O8 O 0.80581 0.80023 0.95178 1.00000
O9 O 0.08531 0.46589 0.75634 1.00000
O10 O 0.60112 0.04147 0.24812 1.00000
O11 O 0.89681 0.53268 0.24427 1.00000
O12 O 0.39692 0.95978 0.75299 1.00000
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