La2Pm3TmBi6
Alexandria ALEXAlex-ID: agm044130916 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
LaPm2Bi3 LaBi TmBi
2025-02-27 05:26:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044130916).
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 agm044130916
data_agm044130916
_cell_length_a 7.96382
_cell_length_b 7.96382
_cell_length_c 7.97447
_cell_angle_alpha 80.40093
_cell_angle_beta 99.59907
_cell_angle_gamma 59.99695
_cell_volume 412.90929
_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
La1 La 0.33453 0.33453 0.00000 1.00000
La2 La 0.66547 0.66547 0.00000 1.00000
Pm1 Pm 0.17009 0.17009 0.50000 1.00000
Pm2 Pm 0.82991 0.82991 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.40768 0.91720 0.24964 1.00000
Bi2 Bi 0.23971 0.76029 0.74698 1.00000
Bi3 Bi 0.59232 0.08280 0.75036 1.00000
Bi4 Bi 0.08280 0.59232 0.24964 1.00000
Bi5 Bi 0.76029 0.23971 0.25302 1.00000
Bi6 Bi 0.91720 0.40768 0.75036 1.00000
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