CeTm5As6
Alexandria ALEXAlex-ID: agm006126997 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
TmAs CeAs
2023-08-18 02:01:50.388511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126997).
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 agm006126997
data_agm006126997
_cell_length_a 7.07870
_cell_length_b 7.07870
_cell_length_c 7.08337
_cell_angle_alpha 99.60128
_cell_angle_beta 99.60127
_cell_angle_gamma 119.99188
_cell_volume 289.80353
_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
As1 As 0.42075 0.08421 0.25276 1.00000
As2 As 0.91579 0.57925 0.74724 1.00000
As3 As 0.25281 0.25281 0.74887 1.00000
As4 As 0.74719 0.74719 0.25113 1.00000
As5 As 0.08421 0.42075 0.25276 1.00000
As6 As 0.57925 0.91579 0.74724 1.00000
Tm1 Tm 0.83434 0.16566 0.50000 1.00000
Tm2 Tm 0.66682 0.33318 1.00000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
Tm4 Tm 0.33318 0.66682 0.00000 1.00000
Tm5 Tm 0.16566 0.83434 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
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