TmMnF7
Alexandria ALEXAlex-ID: agm024227590 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TmMnF7
2024-10-15 21:36:34.812173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024227590).
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 agm024227590
data_agm024227590
_cell_length_a 5.48981
_cell_length_b 5.76601
_cell_length_c 8.01905
_cell_angle_alpha 75.39580
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 245.63607
_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
Tm1 Tm 0.69881 0.84979 0.19651 1.00000
Tm2 Tm 0.19881 0.15021 0.80349 1.00000
Mn1 Mn 0.70586 0.67923 0.72500 1.00000
Mn2 Mn 0.20586 0.32077 0.27500 1.00000
F1 F 0.91983 0.03406 0.98950 1.00000
F2 F 0.41983 0.96594 0.01050 1.00000
F3 F 0.46654 0.52721 0.26583 1.00000
F4 F 0.96654 0.47279 0.73417 1.00000
F5 F 0.99637 0.58023 0.25322 1.00000
F6 F 0.49637 0.41977 0.74678 1.00000
F7 F 0.94528 0.11308 0.29498 1.00000
F8 F 0.44528 0.88692 0.70502 1.00000
F9 F 0.70257 0.72049 0.48805 1.00000
F10 F 0.20257 0.27951 0.51195 1.00000
F11 F 0.71606 0.62520 0.95759 1.00000
F12 F 0.21606 0.37480 0.04241 1.00000
F13 F 0.42498 0.07116 0.30498 1.00000
F14 F 0.92498 0.92884 0.69502 1.00000
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