Tm2HfPd3
Alexandria ALEXAlex-ID: agm014447149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1212_spg12
HfPd TmPd
2025-04-15 07:44:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014447149).
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
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# CIF generated by HEAS from Alexandria entry agm014447149
data_agm014447149
_cell_length_a 7.11122
_cell_length_b 7.11122
_cell_length_c 11.28647
_cell_angle_alpha 66.31652
_cell_angle_beta 113.68348
_cell_angle_gamma 151.70483
_cell_volume 246.23944
_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 0.03859 0.96141 0.17935 1.00000
Tm2 Tm 0.96141 0.03859 0.82065 1.00000
Tm3 Tm 0.29654 0.70346 0.16040 1.00000
Tm4 Tm 0.70346 0.29654 0.83960 1.00000
Hf1 Hf 0.62983 0.37017 0.49159 1.00000
Hf2 Hf 0.37017 0.62983 0.50841 1.00000
Pd1 Pd 0.94984 0.05016 0.36534 1.00000
Pd2 Pd 0.05016 0.94984 0.63466 1.00000
Pd3 Pd 0.38582 0.61418 0.97200 1.00000
Pd4 Pd 0.61418 0.38582 0.02800 1.00000
Pd5 Pd 0.27282 0.72718 0.67522 1.00000
Pd6 Pd 0.72718 0.27282 0.32478 1.00000
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