La5CoHAu2
Alexandria ALEXAlex-ID: agm005158355 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
La5CoAu2 La3CoAu LaH2 LaAu
2023-01-07 22:32:34.529324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158355).
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 agm005158355
data_agm005158355
_cell_length_a 4.02745
_cell_length_b 9.32254
_cell_length_c 13.14944
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.47455
_cell_volume 482.05372
_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 0.35773 0.71545 0.01885 1.00000
La2 La 0.69734 0.39468 0.88263 1.00000
La3 La 0.49940 0.99880 0.76377 1.00000
La4 La 0.29715 0.59429 0.66826 1.00000
La5 La 0.95238 0.90477 0.51047 1.00000
La6 La 0.64227 0.28455 0.51885 1.00000
La7 La 0.30266 0.60532 0.38263 1.00000
La8 La 0.50060 0.00120 0.26377 1.00000
La9 La 0.70285 0.40571 0.16826 1.00000
La10 La 0.04762 0.09523 0.01047 1.00000
Co1 Co 0.79477 0.58953 0.52440 1.00000
Co2 Co 0.20523 0.41047 0.02440 1.00000
H1 H 0.56464 0.12928 0.91793 1.00000
H2 H 0.43536 0.87072 0.41793 1.00000
Au1 Au 0.87687 0.75373 0.83167 1.00000
Au2 Au 0.12126 0.24252 0.70599 1.00000
Au3 Au 0.12313 0.24627 0.33167 1.00000
Au4 Au 0.87874 0.75748 0.20599 1.00000
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