CePm(ErAs2)2
Alexandria ALEXAlex-ID: agm034602259 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
Ce2PmAs3 CePm2As3 CeEr5As6
2024-12-08 02:39:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034602259).
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 agm034602259
data_agm034602259
_cell_length_a 8.30700
_cell_length_b 8.30700
_cell_length_c 8.30700
_cell_angle_alpha 120.00264
_cell_angle_beta 119.92894
_cell_angle_gamma 90.05928
_cell_volume 405.54725
_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 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.00000 0.50000 0.50000 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.50000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.00000 0.50000 0.00000 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Er4 Er 0.50000 0.00000 0.50000 1.00000
As1 As 0.75500 0.24844 0.50656 1.00000
As2 As 0.24188 0.24844 0.99344 1.00000
As3 As 0.75812 0.75156 0.00656 1.00000
As4 As 0.24500 0.75156 0.49344 1.00000
As5 As 0.75328 0.75748 0.50420 1.00000
As6 As 0.75328 0.24908 0.99580 1.00000
As7 As 0.24672 0.75092 0.00420 1.00000
As8 As 0.24672 0.24252 0.49580 1.00000
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