LaPm8Tm5
Alexandria ALEXAlex-ID: agm006111481 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_147_spg82
PmTm2 LaPm Pm
2023-08-13 17:09:41.737627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111481).
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 agm006111481
data_agm006111481
_cell_length_a 8.53514
_cell_length_b 8.53494
_cell_length_c 8.53515
_cell_angle_alpha 111.88335
_cell_angle_beta 104.75084
_cell_angle_gamma 111.88121
_cell_volume 476.21390
_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 0.25000 0.50000 0.75000 1.00000
Pm1 Pm 0.16218 0.73453 0.07425 1.00000
Pm2 Pm 0.92572 0.08794 0.66030 1.00000
Pm3 Pm 0.72090 0.25438 0.32556 1.00000
Pm4 Pm 0.67443 0.39532 0.92881 1.00000
Pm5 Pm 0.53349 0.60468 0.27910 1.00000
Pm6 Pm 0.57236 0.91206 0.83778 1.00000
Pm7 Pm 0.33972 0.26547 0.42765 1.00000
Pm8 Pm 0.07119 0.74562 0.46653 1.00000
Tm1 Tm 0.04062 0.31638 0.13220 1.00000
Tm2 Tm 0.86781 0.90842 0.18419 1.00000
Tm3 Tm 0.81582 0.68362 0.72423 1.00000
Tm4 Tm 0.49999 1.00000 0.49999 1.00000
Tm5 Tm 0.27577 0.09158 0.95939 1.00000
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