Tm3SbHPd
Alexandria ALEXAlex-ID: agm007652575 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_373_spg11
TmSb TmPd TmH2 Tm5Sb3
2024-03-16 10:27:30.644406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007652575).
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 agm007652575
data_agm007652575
_cell_length_a 4.07608
_cell_length_b 8.16380
_cell_length_c 8.30043
_cell_angle_alpha 72.88773
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 263.97994
_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
Tm1 Tm 0.75000 0.82270 0.05497 1.00000
Tm2 Tm 0.25000 0.83119 0.38938 1.00000
Tm3 Tm 0.25000 0.42969 0.24242 1.00000
Tm4 Tm 0.25000 0.17730 0.94503 1.00000
Tm5 Tm 0.75000 0.57031 0.75758 1.00000
Tm6 Tm 0.75000 0.16881 0.61062 1.00000
Sb1 Sb 0.25000 0.86819 0.75261 1.00000
Sb2 Sb 0.75000 0.13181 0.24739 1.00000
H1 H 0.75000 0.09339 0.89343 1.00000
H2 H 0.25000 0.90661 0.10657 1.00000
Pd1 Pd 0.75000 0.58467 0.38816 1.00000
Pd2 Pd 0.25000 0.41533 0.61184 1.00000
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