LaTh(NpTl2)2
Alexandria ALEXAlex-ID: agm024177101 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_22_spg12
ThTl LaTl3 Np
2025-03-01 07:30:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024177101).
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 agm024177101
data_agm024177101
_cell_length_a 5.79415
_cell_length_b 5.79415
_cell_length_c 9.98687
_cell_angle_alpha 64.47821
_cell_angle_beta 115.52179
_cell_angle_gamma 128.95323
_cell_volume 229.09712
_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 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.49907 0.50093 0.75646 1.00000
Np2 Np 0.50093 0.49907 0.24354 1.00000
Tl1 Tl 0.24846 0.75154 0.87516 1.00000
Tl2 Tl 0.74889 0.25111 0.62572 1.00000
Tl3 Tl 0.75154 0.24846 0.12484 1.00000
Tl4 Tl 0.25111 0.74889 0.37428 1.00000
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