Ho4TcPd
Alexandria ALEXAlex-ID: agm014244229 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_122_spg60
Ho3Tc HoPd
2024-12-23 23:55:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014244229).
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 agm014244229
data_agm014244229
_cell_length_a 4.31537
_cell_length_b 7.53562
_cell_length_c 18.22018
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 592.50189
_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
Ho1 Ho 0.25000 0.90376 0.64678 1.00000
Ho2 Ho 0.75000 0.09624 0.35322 1.00000
Ho3 Ho 0.75000 0.59624 0.14678 1.00000
Ho4 Ho 0.25000 0.40376 0.85322 1.00000
Ho5 Ho 0.25000 0.85092 0.45611 1.00000
Ho6 Ho 0.75000 0.14908 0.54389 1.00000
Ho7 Ho 0.75000 0.64908 0.95611 1.00000
Ho8 Ho 0.25000 0.35092 0.04389 1.00000
Ho9 Ho 0.25000 0.99298 0.92767 1.00000
Ho10 Ho 0.75000 0.00702 0.07233 1.00000
Ho11 Ho 0.75000 0.50702 0.42767 1.00000
Ho12 Ho 0.25000 0.49298 0.57233 1.00000
Ho13 Ho 0.25000 0.92835 0.21871 1.00000
Ho14 Ho 0.75000 0.07165 0.78129 1.00000
Ho15 Ho 0.75000 0.57165 0.71871 1.00000
Ho16 Ho 0.25000 0.42835 0.28129 1.00000
Tc1 Tc 0.25000 0.24991 0.43763 1.00000
Tc2 Tc 0.75000 0.75009 0.56237 1.00000
Tc3 Tc 0.75000 0.25009 0.93763 1.00000
Tc4 Tc 0.25000 0.74991 0.06237 1.00000
Pd1 Pd 0.25000 0.77291 0.79763 1.00000
Pd2 Pd 0.75000 0.22709 0.20237 1.00000
Pd3 Pd 0.75000 0.72709 0.29763 1.00000
Pd4 Pd 0.25000 0.27291 0.70237 1.00000
