Tm3MnCo8
Alexandria ALEXAlex-ID: agm003587285 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_29_spg160
TmCo2 TmCo3 Mn
2022-04-03 13:49:19.007342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003587285).
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 agm003587285
data_agm003587285
_cell_length_a 4.95352
_cell_length_b 4.95352
_cell_length_c 8.58789
_cell_angle_alpha 73.23772
_cell_angle_beta 73.23772
_cell_angle_gamma 60.00000
_cell_volume 172.07580
_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 0.37590 0.37590 0.87231 1.00000
Tm2 Tm 0.99448 0.99448 0.01655 1.00000
Tm3 Tm 0.50402 0.50402 0.48793 1.00000
Mn1 Mn 0.87319 0.87319 0.38042 1.00000
Co1 Co 0.93574 0.43616 0.19195 1.00000
Co2 Co 0.44312 0.93768 0.68152 1.00000
Co3 Co 0.43616 0.43616 0.19195 1.00000
Co4 Co 0.93768 0.93768 0.68152 1.00000
Co5 Co 0.18815 0.18815 0.43555 1.00000
Co6 Co 0.68771 0.68771 0.93686 1.00000
Co7 Co 0.43616 0.93574 0.19195 1.00000
Co8 Co 0.93768 0.44312 0.68152 1.00000
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