Er4TmP5
Alexandria ALEXAlex-ID: agm059157293 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_34_spg71
Er3TmP4 ErP
2024-11-08 16:58:51.872208
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059157293).
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
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# CIF generated by HEAS from Alexandria entry agm059157293
data_agm059157293
_cell_length_a 10.48984
_cell_length_b 10.48984
_cell_length_c 10.48984
_cell_angle_alpha 158.21793
_cell_angle_beta 148.99348
_cell_angle_gamma 38.21354
_cell_volume 220.32945
_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
Er1 Er 0.09991 0.59991 0.50000 1.00000
Er2 Er 0.69979 0.19979 0.50000 1.00000
Er3 Er 0.30021 0.80021 0.50000 1.00000
Er4 Er 0.90009 0.40009 0.50000 1.00000
Tm1 Tm 0.50000 0.00000 0.50000 1.00000
P1 P 0.40048 0.40048 0.00000 1.00000
P2 P 0.20004 0.20004 0.00000 1.00000
P3 P 0.79996 0.79996 0.00000 1.00000
P4 P 0.00000 0.00000 0.00000 1.00000
P5 P 0.59952 0.59952 0.00000 1.00000
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