CeRe2H8Pb
Alexandria ALEXAlex-ID: agm007453004 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
CeReH8 Pb Re
2024-02-08 07:17:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007453004).
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 agm007453004
data_agm007453004
_cell_length_a 4.56425
_cell_length_b 5.05301
_cell_length_c 6.32496
_cell_angle_alpha 70.96290
_cell_angle_beta 94.36669
_cell_angle_gamma 68.27886
_cell_volume 124.84444
_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 0.00000 0.50000 1.00000
Re1 Re 0.80598 0.48156 0.15340 1.00000
Re2 Re 0.19402 0.51844 0.84660 1.00000
H1 H 0.11560 0.78521 0.57971 1.00000
H2 H 0.48781 0.36092 0.14644 1.00000
H3 H 0.88440 0.21479 0.42029 1.00000
H4 H 0.51219 0.63908 0.85356 1.00000
H5 H 0.53977 0.70633 0.27192 1.00000
H6 H 0.46023 0.29367 0.72808 1.00000
H7 H 0.06407 0.51040 0.34108 1.00000
H8 H 0.93593 0.48960 0.65892 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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