Tm2Th5Cr2
Alexandria ALEXAlex-ID: agm009494885 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_614_spg2
Tm2Th Th Cr
2024-07-08 20:07:57.775747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009494885).
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 agm009494885
data_agm009494885
_cell_length_a 6.76098
_cell_length_b 6.76098
_cell_length_c 5.98473
_cell_angle_alpha 86.71463
_cell_angle_beta 86.71463
_cell_angle_gamma 112.60027
_cell_volume 251.20870
_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 0.35044 0.35044 0.28824 1.00000
Tm2 Tm 0.64956 0.64956 0.71176 1.00000
Th1 Th 0.87559 0.44867 0.25360 1.00000
Th2 Th 0.12441 0.55133 0.74640 1.00000
Th3 Th 0.44867 0.87559 0.25360 1.00000
Th4 Th 0.55133 0.12441 0.74640 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.91248 0.08752 0.50000 1.00000
Cr2 Cr 0.08752 0.91248 0.50000 1.00000
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