PrHo12Tm5
Alexandria ALEXAlex-ID: agm006074068 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_47_spg12
HoTm2 Ho7Tm2 PrHo8
2023-08-10 19:01:08.401069
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074068).
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 agm006074068
data_agm006074068
_cell_length_a 11.49917
_cell_length_b 7.74063
_cell_length_c 10.96758
_cell_angle_alpha 111.26072
_cell_angle_beta 119.22137
_cell_angle_gamma 42.03160
_cell_volume 570.44711
_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
Pr1 Pr 0.00001 0.00000 1.00000 1.00000
Ho1 Ho 0.69415 0.00000 0.33059 1.00000
Ho2 Ho 0.30585 0.00000 0.66941 1.00000
Ho3 Ho 0.65800 0.00000 0.84644 1.00000
Ho4 Ho 0.34201 0.00000 0.15356 1.00000
Ho5 Ho 0.32820 0.66680 0.84683 1.00000
Ho6 Ho 0.00501 0.66680 0.15317 1.00000
Ho7 Ho 0.99500 0.33320 0.84683 1.00000
Ho8 Ho 0.67181 0.33320 0.15317 1.00000
Ho9 Ho 0.63916 0.33420 0.66871 1.00000
Ho10 Ho 0.97336 0.66581 0.66871 1.00000
Ho11 Ho 0.02664 0.33420 0.33129 1.00000
Ho12 Ho 0.36084 0.66581 0.33129 1.00000
Tm1 Tm 0.50000 0.00001 0.50000 1.00000
Tm2 Tm 0.16702 0.66596 0.50000 1.00000
Tm3 Tm 0.83298 0.33405 0.50000 1.00000
Tm4 Tm 0.66508 0.66985 0.00001 1.00000
Tm5 Tm 0.33493 0.33015 1.00000 1.00000
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