PuMgAgTe3
Alexandria ALEXAlex-ID: agm005035671 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_375_spg11
PuTe2 MgTe Ag
2022-07-06 02:56:35.513443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035671).
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 agm005035671
data_agm005035671
_cell_length_a 4.25647
_cell_length_b 8.40375
_cell_length_c 9.61715
_cell_angle_alpha 102.28109
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 336.13592
_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
Pu1 Pu 0.25000 0.18287 0.24765 1.00000
Pu2 Pu 0.75000 0.81713 0.75235 1.00000
Mg1 Mg 0.25000 0.66294 0.16550 1.00000
Mg2 Mg 0.75000 0.33706 0.83450 1.00000
Ag1 Ag 0.25000 0.08421 0.58387 1.00000
Ag2 Ag 0.75000 0.91579 0.41613 1.00000
Te1 Te 0.75000 0.90761 0.12284 1.00000
Te2 Te 0.25000 0.09239 0.87716 1.00000
Te3 Te 0.25000 0.72150 0.49039 1.00000
Te4 Te 0.75000 0.27850 0.50961 1.00000
Te5 Te 0.75000 0.41633 0.14756 1.00000
Te6 Te 0.25000 0.58367 0.85244 1.00000
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