La(Th2C)4
Alexandria ALEXAlex-ID: agm097299703 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1546_spg8
LaTh4 Th3C2 La
2025-06-20 21:13:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097299703).
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 agm097299703
data_agm097299703
_cell_length_a 3.64535
_cell_length_b 9.91583
_cell_length_c 11.07866
_cell_angle_alpha 55.96931
_cell_angle_beta 99.41661
_cell_angle_gamma 100.83838
_cell_volume 325.11431
_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 0.90782 0.02460 0.97207 1.00000
Th1 Th 0.58463 0.92568 0.39271 1.00000
Th2 Th 0.76713 0.65965 0.01622 1.00000
Th3 Th 0.11070 0.64211 0.73196 1.00000
Th4 Th 0.43100 0.36318 0.65325 1.00000
Th5 Th 0.91549 0.63341 0.33857 1.00000
Th6 Th 0.24454 0.31149 0.32876 1.00000
Th7 Th 0.58013 0.30052 0.02067 1.00000
Th8 Th 0.76328 0.01897 0.66138 1.00000
C1 C 0.00567 0.32869 0.84127 1.00000
C2 C 0.18137 0.48188 0.03233 1.00000
C3 C 0.83437 0.32723 0.49277 1.00000
C4 C 0.17387 0.98260 0.51803 1.00000
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