Ca3Tm(UAs3)2
Alexandria ALEXAlex-ID: agm033470569 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ca4TmU3As8 Ca2UAs3 TmAs
2025-01-02 05:34:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033470569).
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 agm033470569
data_agm033470569
_cell_length_a 9.31111
_cell_length_b 9.31111
_cell_length_c 8.36484
_cell_angle_alpha 76.64875
_cell_angle_beta 103.35125
_cell_angle_gamma 154.18409
_cell_volume 306.82259
_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
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Ca2 Ca 0.83507 0.16493 0.16672 1.00000
Ca3 Ca 0.16493 0.83507 0.83328 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
U1 U 0.83562 0.16438 0.67106 1.00000
U2 U 0.16438 0.83562 0.32894 1.00000
As1 As 0.33607 0.66393 0.90423 1.00000
As2 As 0.67279 0.32721 0.57012 1.00000
As3 As 0.66393 0.33607 0.09577 1.00000
As4 As 0.00575 0.99425 0.24419 1.00000
As5 As 0.99425 0.00575 0.75581 1.00000
As6 As 0.32721 0.67279 0.42988 1.00000
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