CeTm2As3
Alexandria ALEXAlex-ID: agm035324331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_32_spg12
TmAs CeAs
2025-01-02 04:07:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035324331).
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
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# CIF generated by HEAS from Alexandria entry agm035324331
data_agm035324331
_cell_length_a 9.19011
_cell_length_b 9.19011
_cell_length_c 8.22627
_cell_angle_alpha 77.14206
_cell_angle_beta 102.85794
_cell_angle_gamma 154.10030
_cell_volume 295.45813
_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 0.83470 0.16530 0.66898 1.00000
Ce2 Ce 0.16530 0.83470 0.33102 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.83329 0.16671 0.16568 1.00000
Tm3 Tm 0.16671 0.83329 0.83432 1.00000
Tm4 Tm 0.50000 0.50000 0.00000 1.00000
As1 As 0.33372 0.66628 0.92250 1.00000
As2 As 0.66508 0.33492 0.58781 1.00000
As3 As 0.66628 0.33372 0.07750 1.00000
As4 As 0.99796 0.00204 0.24890 1.00000
As5 As 0.00204 0.99796 0.75110 1.00000
As6 As 0.33492 0.66508 0.41219 1.00000
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