PmHo6Tm2Th
Alexandria ALEXAlex-ID: agm004983751 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
PmHo8 Ho2Th Pm2Ho7 HoTm5
2022-08-01 12:17:11.325386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004983751).
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 agm004983751
data_agm004983751
_cell_length_a 9.49755
_cell_length_b 8.70961
_cell_length_c 8.70961
_cell_angle_alpha 116.75079
_cell_angle_beta 93.61823
_cell_angle_gamma 93.61823
_cell_volume 638.67271
_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 0.97246 0.02754 1.00000
Pm2 Pm 0.75000 0.02754 0.97246 1.00000
Ho1 Ho 0.05937 0.12040 0.75115 1.00000
Ho2 Ho 0.44063 0.24885 0.87960 1.00000
Ho3 Ho 0.94063 0.87960 0.24885 1.00000
Ho4 Ho 0.55937 0.75115 0.12040 1.00000
Ho5 Ho 0.31710 0.97849 0.43105 1.00000
Ho6 Ho 0.18290 0.56895 0.02151 1.00000
Ho7 Ho 0.68290 0.02151 0.56895 1.00000
Ho8 Ho 0.81710 0.43105 0.97849 1.00000
Ho9 Ho 0.11725 0.70343 0.48968 1.00000
Ho10 Ho 0.38275 0.51032 0.29657 1.00000
Ho11 Ho 0.88275 0.29657 0.51032 1.00000
Ho12 Ho 0.61725 0.48968 0.70343 1.00000
Tm1 Tm 0.45189 0.80482 0.70155 1.00000
Tm2 Tm 0.04811 0.29845 0.19518 1.00000
Tm3 Tm 0.54811 0.19518 0.29845 1.00000
Tm4 Tm 0.95189 0.70155 0.80482 1.00000
Th1 Th 0.25000 0.40680 0.59320 1.00000
Th2 Th 0.75000 0.59320 0.40680 1.00000
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