Ho2Tm5Th4
Alexandria ALEXAlex-ID: agm005653472 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_541_spg12
Ho2Th Tm2Th HoTh
2023-06-24 07:10:42.578344
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653472).
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 agm005653472
data_agm005653472
_cell_length_a 3.55056
_cell_length_b 9.28733
_cell_length_c 11.77548
_cell_angle_alpha 106.94459
_cell_angle_beta 81.30575
_cell_angle_gamma 112.48158
_cell_volume 342.86688
_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 0.86905 0.27893 0.81912 1.00000
Ho2 Ho 0.13095 0.72107 0.18088 1.00000
Tm1 Tm 0.95878 0.09519 0.27327 1.00000
Tm2 Tm 0.04122 0.90481 0.72673 1.00000
Tm3 Tm 0.58766 0.81485 0.45564 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Tm5 Tm 0.41234 0.18515 0.54436 1.00000
Th1 Th 0.77091 0.45250 0.36441 1.00000
Th2 Th 0.31672 0.36248 0.09161 1.00000
Th3 Th 0.22909 0.54750 0.63559 1.00000
Th4 Th 0.68328 0.63752 0.90839 1.00000
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