LaGa3Fe10C
Alexandria ALEXAlex-ID: agm005274126 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D10_5_spg42
La(FeC)2 LaGa4Fe9C LaGa2 Fe
2023-05-14 01:02:02.797740
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274126).
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 agm005274126
data_agm005274126
_cell_length_a 8.35738
_cell_length_b 8.27812
_cell_length_c 8.24005
_cell_angle_alpha 60.78839
_cell_angle_beta 59.83096
_cell_angle_gamma 59.38065
_cell_volume 402.97604
_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 0.25166 0.24834 0.24834 1.00000
La2 La 0.75166 0.74834 0.74834 1.00000
Ga1 Ga 0.55712 0.80473 0.44288 1.00000
Ga2 Ga 0.19527 0.44288 0.80473 1.00000
Ga3 Ga 0.93604 0.06396 0.69511 1.00000
Ga4 Ga 0.30489 0.69511 0.06396 1.00000
Ga5 Ga 0.43797 0.19568 0.56203 1.00000
Ga6 Ga 0.80432 0.56203 0.19568 1.00000
Fe1 Fe 0.71025 0.93792 0.06554 1.00000
Fe2 Fe 0.28629 0.06554 0.93792 1.00000
Fe3 Fe 0.20959 0.56716 0.43785 1.00000
Fe4 Fe 0.78540 0.43785 0.56716 1.00000
Fe5 Fe 0.43284 0.79041 0.21460 1.00000
Fe6 Fe 0.56215 0.21460 0.79041 1.00000
Fe7 Fe 0.06208 0.28975 0.71371 1.00000
Fe8 Fe 0.93446 0.71371 0.28975 1.00000
Fe9 Fe 0.99833 0.00167 0.00167 1.00000
Fe10 Fe 0.50105 0.49895 0.49895 1.00000
Fe11 Fe 0.78790 0.21210 0.42769 1.00000
Fe12 Fe 0.57231 0.42769 0.21210 1.00000
Fe13 Fe 0.28040 0.93643 0.71960 1.00000
Fe14 Fe 0.06357 0.71960 0.93643 1.00000
Fe15 Fe 0.21351 0.78649 0.56180 1.00000
Fe16 Fe 0.43820 0.56180 0.78649 1.00000
Fe17 Fe 0.71405 0.06307 0.28595 1.00000
Fe18 Fe 0.93693 0.28595 0.06307 1.00000
Fe19 Fe 0.06469 0.93531 0.29510 1.00000
Fe20 Fe 0.70490 0.29510 0.93531 1.00000
C1 C 0.00108 0.49892 0.49892 1.00000
C2 C 0.50108 0.99892 0.99892 1.00000
