Tm5UAs6
Alexandria ALEXAlex-ID: agm006126992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
TmUAs2 TmAs
2023-08-18 09:54:04.809718
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126992).
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 agm006126992
data_agm006126992
_cell_length_a 7.03251
_cell_length_b 7.03332
_cell_length_c 7.03724
_cell_angle_alpha 60.01846
_cell_angle_beta 80.40991
_cell_angle_gamma 70.52580
_cell_volume 284.24976
_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 0.75034 0.08321 0.33127 1.00000
As2 As 0.24966 0.58553 0.33127 1.00000
As3 As 0.24833 0.24804 1.00000 1.00000
As4 As 0.75167 0.75196 0.00000 1.00000
As5 As 0.75034 0.41447 0.66873 1.00000
As6 As 0.24966 0.91679 0.66873 1.00000
Tm1 Tm 0.50000 0.16749 0.66502 1.00000
Tm2 Tm 1.00000 0.33351 0.33298 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Tm4 Tm 0.00000 0.66649 0.66702 1.00000
Tm5 Tm 0.50000 0.83251 0.33498 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
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