PrHo2ErTm5
Alexandria ALEXAlex-ID: agm005148145 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
HoTm5 PrHoEr
2023-01-19 13:54:31.165949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005148145).
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 agm005148145
data_agm005148145
_cell_length_a 5.55324
_cell_length_b 10.19542
_cell_length_c 10.47127
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.80356
_cell_volume 570.44880
_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 0.58338 0.16675 0.95215 1.00000
Pr2 Pr 0.41662 0.83325 0.45215 1.00000
Ho1 Ho 0.88729 0.77459 0.81844 1.00000
Ho2 Ho 0.11144 0.22288 0.73383 1.00000
Ho3 Ho 0.11271 0.22541 0.31844 1.00000
Ho4 Ho 0.88856 0.77712 0.23383 1.00000
Er1 Er 0.79986 0.59971 0.51247 1.00000
Er2 Er 0.20014 0.40029 0.01247 1.00000
Tm1 Tm 0.38641 0.77281 0.02164 1.00000
Tm2 Tm 0.71914 0.43828 0.81314 1.00000
Tm3 Tm 0.47866 0.95732 0.73634 1.00000
Tm4 Tm 0.29847 0.59695 0.71107 1.00000
Tm5 Tm 0.98197 0.96393 0.52489 1.00000
Tm6 Tm 0.61359 0.22719 0.52164 1.00000
Tm7 Tm 0.28086 0.56172 0.31314 1.00000
Tm8 Tm 0.52134 0.04268 0.23634 1.00000
Tm9 Tm 0.70153 0.40305 0.21107 1.00000
Tm10 Tm 0.01803 0.03607 0.02489 1.00000
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