CeMnF7
Alexandria ALEXAlex-ID: agm024265133 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
MnF3 CeF4
2024-09-26 05:23:11.679535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024265133).
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 agm024265133
data_agm024265133
_cell_length_a 5.74592
_cell_length_b 5.97789
_cell_length_c 8.12529
_cell_angle_alpha 78.22164
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 273.21534
_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
Ce1 Ce 0.69834 0.83697 0.19774 1.00000
Ce2 Ce 0.19834 0.16303 0.80226 1.00000
Mn1 Mn 0.70761 0.69004 0.72693 1.00000
Mn2 Mn 0.20761 0.30996 0.27307 1.00000
F1 F 0.87245 0.05709 0.98078 1.00000
F2 F 0.37245 0.94291 0.01922 1.00000
F3 F 0.43115 0.55439 0.26458 1.00000
F4 F 0.93115 0.44561 0.73542 1.00000
F5 F 0.95542 0.57032 0.25152 1.00000
F6 F 0.45542 0.42968 0.74848 1.00000
F7 F 0.99739 0.05998 0.29170 1.00000
F8 F 0.49739 0.94002 0.70830 1.00000
F9 F 0.70232 0.72545 0.49247 1.00000
F10 F 0.20232 0.27455 0.50753 1.00000
F11 F 0.70898 0.64285 0.96117 1.00000
F12 F 0.20898 0.35715 0.03883 1.00000
F13 F 0.50273 0.09756 0.28642 1.00000
F14 F 0.00273 0.90244 0.71358 1.00000
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