Pm2ErTm4Sc
Alexandria ALEXAlex-ID: agm004863370 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_443_spg123
PmEr2 ErTm5 Sc PmTm2
2023-01-29 04:48:01.278590
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863370).
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 agm004863370
data_agm004863370
_cell_length_a 4.96993
_cell_length_b 4.97037
_cell_length_c 11.03146
_cell_angle_alpha 63.24670
_cell_angle_beta 90.00221
_cell_angle_gamma 89.99736
_cell_volume 243.33279
_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 0.00000 0.00000 1.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.00000 0.49999 0.50000 1.00000
Tm1 Tm 0.00000 0.74650 0.75388 1.00000
Tm2 Tm 1.00000 0.25350 0.24612 1.00000
Tm3 Tm 0.50000 0.75357 0.24601 1.00000
Tm4 Tm 0.50000 0.24643 0.75399 1.00000
Sc1 Sc 0.50000 0.50000 1.00000 1.00000
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