BaPm2Te4Pd
Alexandria ALEXAlex-ID: agm040593953 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_128_spg63
Pm2Te3Pd BaTe
2025-01-21 17:24:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040593953).
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 agm040593953
data_agm040593953
_cell_length_a 7.87135
_cell_length_b 7.87135
_cell_length_c 15.61974
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 146.75749
_cell_volume 530.51543
_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
Ba1 Ba 0.38164 0.61836 0.75000 1.00000
Ba2 Ba 0.61836 0.38164 0.25000 1.00000
Pm1 Pm 0.13377 0.86623 0.57294 1.00000
Pm2 Pm 0.86623 0.13377 0.07294 1.00000
Pm3 Pm 0.86623 0.13377 0.42706 1.00000
Pm4 Pm 0.13377 0.86623 0.92706 1.00000
Te1 Te 0.22795 0.77205 0.11384 1.00000
Te2 Te 0.77205 0.22795 0.61384 1.00000
Te3 Te 0.77205 0.22795 0.88616 1.00000
Te4 Te 0.22795 0.77205 0.38616 1.00000
Te5 Te 0.50000 0.50000 0.50000 1.00000
Te6 Te 0.50000 0.50000 0.00000 1.00000
Te7 Te 0.04999 0.95001 0.75000 1.00000
Te8 Te 0.95001 0.04999 0.25000 1.00000
Pd1 Pd 0.65452 0.34548 0.75000 1.00000
Pd2 Pd 0.34548 0.65452 0.25000 1.00000
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