Zr4Mn2Te9
Alexandria ALEXAlex-ID: agm005643708 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_141_spg2
MnTe2 ZrTe2 Mn
2023-06-16 23:34:33.566175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643708).
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 agm005643708
data_agm005643708
_cell_length_a 7.13950
_cell_length_b 7.13861
_cell_length_c 19.85400
_cell_angle_alpha 89.99472
_cell_angle_beta 90.00271
_cell_angle_gamma 59.99710
_cell_volume 876.28892
_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
Zr1 Zr 0.33343 0.33318 0.00301 1.00000
Zr2 Zr 0.33340 0.33322 0.50302 1.00000
Zr3 Zr 0.66657 0.66682 0.99699 1.00000
Zr4 Zr 0.33288 0.33352 0.16848 1.00000
Zr5 Zr 0.66660 0.66678 0.49698 1.00000
Zr6 Zr 0.66648 0.66642 0.33152 1.00000
Zr7 Zr 0.33352 0.33358 0.66848 1.00000
Zr8 Zr 0.66712 0.66648 0.83152 1.00000
Mn1 Mn 0.99976 0.00023 0.33337 1.00000
Mn2 Mn 0.00006 0.99976 0.16663 1.00000
Mn3 Mn 0.00024 0.99977 0.66663 1.00000
Mn4 Mn 0.99994 0.00024 0.83337 1.00000
Te1 Te 0.00016 0.32591 0.74993 1.00000
Te2 Te 0.32608 0.67412 0.75006 1.00000
Te3 Te 0.67428 0.99999 0.74998 1.00000
Te4 Te 0.99984 0.67409 0.25007 1.00000
Te5 Te 0.67392 0.32588 0.24994 1.00000
Te6 Te 0.32572 0.00001 0.25002 1.00000
Te7 Te 0.66430 0.00661 0.41389 1.00000
Te8 Te 0.00648 0.32884 0.41403 1.00000
Te9 Te 0.32862 0.66476 0.41404 1.00000
Te10 Te 0.67091 0.99336 0.08613 1.00000
Te11 Te 0.33538 0.67109 0.08599 1.00000
Te12 Te 0.99340 0.33520 0.08594 1.00000
Te13 Te 0.33570 0.99339 0.58611 1.00000
Te14 Te 0.99352 0.67116 0.58597 1.00000
Te15 Te 0.67138 0.33524 0.58596 1.00000
Te16 Te 0.32909 0.00664 0.91387 1.00000
Te17 Te 0.66462 0.32891 0.91401 1.00000
Te18 Te 0.00660 0.66480 0.91406 1.00000
