Ce3PmAs4
Alexandria ALEXAlex-ID: agm017295565 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_3_spg139
Ce2PmAs3 CeAs
2024-12-20 19:58:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017295565).
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 agm017295565
data_agm017295565
_cell_length_a 7.31455
_cell_length_b 7.31455
_cell_length_c 7.31455
_cell_angle_alpha 131.80316
_cell_angle_beta 131.80316
_cell_angle_gamma 70.54009
_cell_volume 213.06700
_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 0.75000 0.25000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Ce3 Ce 0.25000 0.75000 0.50000 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
As1 As 0.50000 0.00000 0.50000 1.00000
As2 As 0.00000 0.50000 0.50000 1.00000
As3 As 0.75181 0.75181 0.00000 1.00000
As4 As 0.24819 0.24819 0.00000 1.00000
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