Pa2MnTe2
Alexandria ALEXAlex-ID: agm005962998 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_30_spg72
PaMn PaTe2
2023-08-04 00:16:08.748228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962998).
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 agm005962998
data_agm005962998
_cell_length_a 6.00646
_cell_length_b 6.38997
_cell_length_c 7.66773
_cell_angle_alpha 114.62512
_cell_angle_beta 113.05849
_cell_angle_gamma 90.00000
_cell_volume 241.42554
_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
Pa1 Pa 0.39558 0.69435 0.79115 1.00000
Pa2 Pa 0.60442 0.30565 0.20885 1.00000
Pa3 Pa 0.10442 0.90320 0.20885 1.00000
Pa4 Pa 0.89558 0.09680 0.79115 1.00000
Mn1 Mn 0.75000 0.50000 0.00000 1.00000
Mn2 Mn 0.25000 0.50000 0.00000 1.00000
Te1 Te 0.85535 0.56008 0.71069 1.00000
Te2 Te 0.14465 0.43992 0.28931 1.00000
Te3 Te 0.64465 0.84939 0.28931 1.00000
Te4 Te 0.35535 0.15061 0.71069 1.00000
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