CaMn2F10
Alexandria ALEXAlex-ID: agm005261407 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_3_spg5
CaMnF6 MnF4
2023-05-06 13:30:18.989342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005261407).
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 agm005261407
data_agm005261407
_cell_length_a 5.57195
_cell_length_b 5.57195
_cell_length_c 7.39447
_cell_angle_alpha 69.79285
_cell_angle_beta 69.79285
_cell_angle_gamma 72.37399
_cell_volume 197.74547
_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 0.46408 0.53592 0.50000 1.00000
Mn1 Mn 0.99552 0.99760 0.75419 1.00000
Mn2 Mn 0.00240 0.00448 0.24581 1.00000
F1 F 0.92800 0.07200 0.00000 1.00000
F2 F 0.07354 0.92646 0.50000 1.00000
F3 F 0.24485 0.19479 0.13049 1.00000
F4 F 0.80521 0.75515 0.86951 1.00000
F5 F 0.29285 0.74819 0.77116 1.00000
F6 F 0.25181 0.70715 0.22884 1.00000
F7 F 0.70754 0.25087 0.70799 1.00000
F8 F 0.74913 0.29246 0.29201 1.00000
F9 F 0.19422 0.25300 0.62852 1.00000
F10 F 0.74700 0.80578 0.37148 1.00000
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