LaCe3In4
Alexandria ALEXAlex-ID: agm017368036 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_265_spg13
CeIn LaIn
2024-11-02 05:37:33.473129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017368036).
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 agm017368036
data_agm017368036
_cell_length_a 9.16544
_cell_length_b 6.68621
_cell_length_c 7.31010
_cell_angle_alpha 90.00749
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 447.97810
_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
La1 La 0.00000 0.26261 0.49990 1.00000
La2 La 0.00000 0.73739 0.50010 1.00000
Ce1 Ce 0.00000 0.79063 0.99995 1.00000
Ce2 Ce 0.50000 0.70811 0.50008 1.00000
Ce3 Ce 0.50000 0.29189 0.49992 1.00000
Ce4 Ce 0.00000 0.20937 0.00005 1.00000
Ce5 Ce 0.50000 0.78955 0.99991 1.00000
Ce6 Ce 0.50000 0.21045 0.00009 1.00000
In1 In 0.25057 0.50009 0.21967 1.00000
In2 In 0.25624 0.99990 0.27206 1.00000
In3 In 0.74943 0.49991 0.78033 1.00000
In4 In 0.74376 0.00010 0.72794 1.00000
In5 In 0.74376 0.99990 0.27206 1.00000
In6 In 0.25624 0.00010 0.72794 1.00000
In7 In 0.74943 0.50009 0.21967 1.00000
In8 In 0.25057 0.49991 0.78033 1.00000
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