CePm(Pr3Er)2
Alexandria ALEXAlex-ID: agm004987948 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_717_spg12
Pm2Pr Pm2PrEr6 Ce Pr
2022-07-21 23:22:01.582961
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004987948).
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 agm004987948
data_agm004987948
_cell_length_a 8.95440
_cell_length_b 7.09320
_cell_length_c 6.67528
_cell_angle_alpha 122.09359
_cell_angle_beta 100.33824
_cell_angle_gamma 90.00000
_cell_volume 351.03914
_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
Ce1 Ce 0.00000 0.50000 0.00000 1.00000
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pr1 Pr 0.41977 0.63118 0.26236 1.00000
Pr2 Pr 0.20120 0.06528 0.66249 1.00000
Pr3 Pr 0.79880 0.40279 0.33751 1.00000
Pr4 Pr 0.20120 0.59721 0.66249 1.00000
Pr5 Pr 0.79880 0.93472 0.33751 1.00000
Pr6 Pr 0.58023 0.36882 0.73764 1.00000
Er1 Er 0.15672 0.09350 0.18700 1.00000
Er2 Er 0.84328 0.90650 0.81300 1.00000
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