PmPrHo2Tm5
Alexandria ALEXAlex-ID: agm005148161 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_275_spg140
Pm2Pr HoTm5 Pm2Ho7 Pr
2023-01-19 13:54:30.709956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005148161).
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 agm005148161
data_agm005148161
_cell_length_a 8.85263
_cell_length_b 8.85263
_cell_length_c 9.65416
_cell_angle_alpha 117.28958
_cell_angle_beta 117.28958
_cell_angle_gamma 90.00000
_cell_volume 575.99065
_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
Pm1 Pm 0.25000 0.75000 0.50000 1.00000
Pm2 Pm 0.75000 0.25000 0.50000 1.00000
Pr1 Pr 0.25000 0.25000 0.50000 1.00000
Pr2 Pr 0.75000 0.75000 0.50000 1.00000
Ho1 Ho 0.11366 0.38634 0.00000 1.00000
Ho2 Ho 0.61366 0.11366 0.00000 1.00000
Ho3 Ho 0.38634 0.88634 1.00000 1.00000
Ho4 Ho 0.88634 0.61366 0.00000 1.00000
Tm1 Tm 0.92730 0.42730 0.26263 1.00000
Tm2 Tm 0.66467 0.16467 0.73737 1.00000
Tm3 Tm 0.07270 0.57270 0.73737 1.00000
Tm4 Tm 0.16467 0.07270 0.73737 1.00000
Tm5 Tm 0.57270 0.66467 0.73737 1.00000
Tm6 Tm 0.83533 0.92730 0.26263 1.00000
Tm7 Tm 0.42730 0.33533 0.26263 1.00000
Tm8 Tm 0.33533 0.83533 0.26263 1.00000
Tm9 Tm 0.50000 0.50000 0.00000 1.00000
Tm10 Tm 0.00000 0.00000 0.00000 1.00000
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