AcPm5Pr2Er
Alexandria ALEXAlex-ID: agm005166751 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
Pm2Pr PmEr2 Ac12Pm5Pr Pm
2023-01-17 22:11:58.784031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166751).
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 agm005166751
data_agm005166751
_cell_length_a 8.99489
_cell_length_b 8.99489
_cell_length_c 10.20929
_cell_angle_alpha 116.13735
_cell_angle_beta 116.13735
_cell_angle_gamma 90.00000
_cell_volume 646.12875
_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
Ac1 Ac 0.25000 0.25000 0.50000 1.00000
Ac2 Ac 0.75000 0.75000 0.50000 1.00000
Pm1 Pm 0.92863 0.42863 0.26955 1.00000
Pm2 Pm 0.65907 0.15907 0.73045 1.00000
Pm3 Pm 0.07137 0.57137 0.73045 1.00000
Pm4 Pm 0.15907 0.07137 0.73045 1.00000
Pm5 Pm 0.57137 0.65907 0.73045 1.00000
Pm6 Pm 0.84093 0.92863 0.26955 1.00000
Pm7 Pm 0.42863 0.34093 0.26955 1.00000
Pm8 Pm 0.34093 0.84093 0.26955 1.00000
Pm9 Pm 0.50000 0.50000 0.00000 1.00000
Pm10 Pm 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.11776 0.38224 0.00000 1.00000
Pr2 Pr 0.61776 0.11776 1.00000 1.00000
Pr3 Pr 0.38224 0.88224 0.00000 1.00000
Pr4 Pr 0.88224 0.61776 0.00000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
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