Th5Np2Co2Hg
Alexandria ALEXAlex-ID: agm034456285 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_6_spg127
Th11Co4Hg9 Th6CoHg2 Th7Co3 Np
2024-12-05 03:00:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034456285).
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 agm034456285
data_agm034456285
_cell_length_a 3.65506
_cell_length_b 12.05432
_cell_length_c 12.05260
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00148
_cell_angle_gamma 90.00000
_cell_volume 531.02818
_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
Th1 Th 0.49992 0.03526 0.92676 1.00000
Th2 Th 0.50005 0.46469 0.07300 1.00000
Th3 Th 0.50012 0.17688 0.21479 1.00000
Th4 Th 0.50005 0.53531 0.57300 1.00000
Th5 Th 0.49993 0.32329 0.78533 1.00000
Th6 Th 0.49992 0.96474 0.42676 1.00000
Th7 Th 0.49993 0.67671 0.28533 1.00000
Th8 Th 0.50012 0.82312 0.71479 1.00000
Th9 Th 0.50003 0.75002 0.00011 1.00000
Th10 Th 0.50003 0.24998 0.50011 1.00000
Np1 Np 0.99989 0.57553 0.82527 1.00000
Np2 Np 0.00006 0.92466 0.17460 1.00000
Np3 Np 0.00006 0.07534 0.67460 1.00000
Np4 Np 0.99989 0.42447 0.32527 1.00000
Co1 Co 0.99998 0.12944 0.37955 1.00000
Co2 Co 0.00004 0.37065 0.62064 1.00000
Co3 Co 0.00004 0.62935 0.12064 1.00000
Co4 Co 0.99998 0.87056 0.87955 1.00000
Hg1 Hg 0.00003 0.24979 0.00007 1.00000
Hg2 Hg 0.00003 0.75021 0.50007 1.00000
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