Ce2NdErBi4
Alexandria ALEXAlex-ID: agm036331520 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_39_spg82
CeErBi2 CeNdBi2
2025-06-30 22:29:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036331520).
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 agm036331520
data_agm036331520
_cell_length_a 7.90750
_cell_length_b 7.90750
_cell_length_c 7.90750
_cell_angle_alpha 131.77854
_cell_angle_beta 131.77854
_cell_angle_gamma 70.57903
_cell_volume 269.39195
_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 0.25000 0.75000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.75000 0.25000 0.50000 1.00000
Bi1 Bi 0.99686 0.49686 0.50000 1.00000
Bi2 Bi 0.50314 0.00314 0.50000 1.00000
Bi3 Bi 0.75130 0.75130 0.00000 1.00000
Bi4 Bi 0.24870 0.24870 0.00000 1.00000
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