Na2CeGaH8
Alexandria ALEXAlex-ID: agm007259922 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1054_spg2
CeH3 NaGaH4 NaH
2024-02-09 10:42:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007259922).
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 agm007259922
data_agm007259922
_cell_length_a 3.90876
_cell_length_b 5.78476
_cell_length_c 6.36221
_cell_angle_alpha 99.06617
_cell_angle_beta 107.58702
_cell_angle_gamma 88.45753
_cell_volume 135.38746
_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
Na1 Na 0.61427 0.53404 0.81565 1.00000
Na2 Na 0.41107 0.50325 0.30207 1.00000
Ce1 Ce 0.05206 0.03398 0.60168 1.00000
Ga1 Ga 0.96277 0.98123 0.07237 1.00000
H1 H 0.92810 0.20060 0.25286 1.00000
H2 H 0.18124 0.32583 0.91603 1.00000
H3 H 0.28214 0.90769 0.96967 1.00000
H4 H 0.04622 0.63617 0.58362 1.00000
H5 H 0.85613 0.75576 0.16882 1.00000
H6 H 0.66354 0.99411 0.82454 1.00000
H7 H 0.52882 0.24460 0.55432 1.00000
H8 H 0.47360 0.88276 0.43836 1.00000
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