PrEr7Tm4
Alexandria ALEXAlex-ID: agm003670169 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Er2Tm ErTm2 Pr
2022-04-27 21:14:23.448964
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003670169).
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 agm003670169
data_agm003670169
_cell_length_a 5.80639
_cell_length_b 11.40687
_cell_length_c 6.66183
_cell_angle_alpha 82.95993
_cell_angle_beta 64.16406
_cell_angle_gamma 75.25528
_cell_volume 384.01610
_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 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.78883 0.92220 0.50015 1.00000
Er2 Er 0.21117 0.07780 0.49985 1.00000
Er3 Er 0.05764 0.66768 0.21703 1.00000
Er4 Er 0.94236 0.33232 0.78297 1.00000
Er5 Er 0.36422 0.50532 0.76623 1.00000
Er6 Er 0.50000 0.00000 0.00000 1.00000
Er7 Er 0.63578 0.49468 0.23377 1.00000
Tm1 Tm 0.63005 0.22620 0.51370 1.00000
Tm2 Tm 0.36995 0.77380 0.48630 1.00000
Tm3 Tm 0.74730 0.68506 0.82035 1.00000
Tm4 Tm 0.25270 0.31494 0.17965 1.00000
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