Ac2Pr5Er
Alexandria ALEXAlex-ID: agm005902027 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_14_spg139
Pr2Er7 Ac Pr
2023-09-03 16:58:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005902027).
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 agm005902027
data_agm005902027
_cell_length_a 5.33393
_cell_length_b 5.33393
_cell_length_c 11.20824
_cell_angle_alpha 103.76534
_cell_angle_beta 103.76534
_cell_angle_gamma 90.00000
_cell_volume 300.28636
_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 0.74992 0.74992 0.49983 1.00000
Ac2 Ac 0.25008 0.25008 0.50017 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.38108 0.88108 0.76216 1.00000
Pr3 Pr 0.88108 0.38108 0.76216 1.00000
Pr4 Pr 0.61892 0.11892 0.23784 1.00000
Pr5 Pr 0.11892 0.61892 0.23784 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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