LaPm7Tl5
Alexandria ALEXAlex-ID: agm003680077 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_34_spg44
Pm5Tl4 La2Pm3Tl4 Pm2Tl
2022-04-10 07:03:57.842455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003680077).
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 agm003680077
data_agm003680077
_cell_length_a 6.72523
_cell_length_b 8.51096
_cell_length_c 8.51096
_cell_angle_alpha 79.65335
_cell_angle_beta 66.72829
_cell_angle_gamma 66.72829
_cell_volume 410.94907
_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 0.97924 0.02076 0.02076 1.00000
Pm1 Pm 0.63738 0.36262 0.36262 1.00000
Pm2 Pm 0.31673 0.68327 0.68327 1.00000
Pm3 Pm 0.99749 0.34188 0.66315 1.00000
Pm4 Pm 0.99749 0.66315 0.34188 1.00000
Pm5 Pm 0.27214 0.22786 0.22786 1.00000
Pm6 Pm 0.51464 0.79309 0.17763 1.00000
Pm7 Pm 0.51464 0.17763 0.79309 1.00000
Tl1 Tl 0.50891 0.00087 0.48456 1.00000
Tl2 Tl 0.00565 0.00087 0.48456 1.00000
Tl3 Tl 0.50891 0.48456 0.00087 1.00000
Tl4 Tl 0.00565 0.48456 0.00087 1.00000
Tl5 Tl 0.74113 0.75887 0.75887 1.00000
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