TbErAs2
Alexandria ALEXAlex-ID: agm075376790 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12383_spg8
Tb3ErAs4 TbEr3As4
2025-01-20 10:45:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075376790).
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 agm075376790
data_agm075376790
_cell_length_a 7.11806
_cell_length_b 7.11806
_cell_length_c 8.22825
_cell_angle_alpha 73.18481
_cell_angle_beta 106.81519
_cell_angle_gamma 131.81494
_cell_volume 294.70170
_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
Tb1 Tb 0.75226 0.24774 0.67969 1.00000
Tb2 Tb 0.75302 0.24698 0.17932 1.00000
Tb3 Tb 0.08651 0.91349 0.34646 1.00000
Er1 Er 0.08649 0.91351 0.84647 1.00000
Er2 Er 0.41967 0.58033 0.01263 1.00000
Er3 Er 0.41896 0.58104 0.51303 1.00000
As1 As 0.25392 0.74608 0.17863 1.00000
As2 As 0.58425 0.41575 0.34530 1.00000
As3 As 0.58425 0.41575 0.84531 1.00000
As4 As 0.92028 0.07972 0.51487 1.00000
As5 As 0.92058 0.07942 0.01195 1.00000
As6 As 0.25362 0.74638 0.68154 1.00000
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