K2Te10Mo9
Alexandria ALEXAlex-ID: agm007991863 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9C10_3_spg148
K2Te10Mo9
2024-09-20 14:43:37.905186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007991863).
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 agm007991863
data_agm007991863
_cell_length_a 14.50366
_cell_length_b 14.50366
_cell_length_c 14.50366
_cell_angle_alpha 41.12088
_cell_angle_beta 41.12088
_cell_angle_gamma 41.12088
_cell_volume 1191.53602
_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
K1 K 0.70227 0.70227 0.70227 1.00000
K2 K 0.29773 0.29773 0.29773 1.00000
K3 K 0.57611 0.57611 0.57611 1.00000
K4 K 0.42389 0.42389 0.42389 1.00000
Te1 Te 0.79764 0.79764 0.79764 1.00000
Te2 Te 0.20236 0.20236 0.20236 1.00000
Te3 Te 0.19548 0.81865 0.55882 1.00000
Te4 Te 0.55882 0.19548 0.81865 1.00000
Te5 Te 0.81865 0.55882 0.19548 1.00000
Te6 Te 0.80452 0.18135 0.44118 1.00000
Te7 Te 0.44118 0.80452 0.18135 1.00000
Te8 Te 0.18135 0.44118 0.80452 1.00000
Te9 Te 0.41962 0.05905 0.78536 1.00000
Te10 Te 0.78536 0.41962 0.05905 1.00000
Te11 Te 0.05905 0.78536 0.41962 1.00000
Te12 Te 0.58038 0.94095 0.21464 1.00000
Te13 Te 0.21464 0.58038 0.94095 1.00000
Te14 Te 0.94095 0.21464 0.58038 1.00000
Te15 Te 0.06319 0.33201 0.69016 1.00000
Te16 Te 0.69016 0.06319 0.33201 1.00000
Te17 Te 0.33201 0.69016 0.06319 1.00000
Te18 Te 0.93681 0.66799 0.30984 1.00000
Te19 Te 0.30984 0.93681 0.66799 1.00000
Te20 Te 0.66799 0.30984 0.93681 1.00000
Mo1 Mo 0.69583 0.87341 0.99437 1.00000
Mo2 Mo 0.99437 0.69583 0.87341 1.00000
Mo3 Mo 0.87341 0.99437 0.69583 1.00000
Mo4 Mo 0.30417 0.12659 0.00563 1.00000
Mo5 Mo 0.00563 0.30417 0.12659 1.00000
Mo6 Mo 0.12659 0.00563 0.30417 1.00000
Mo7 Mo 0.07170 0.89992 0.76749 1.00000
Mo8 Mo 0.76749 0.07170 0.89992 1.00000
Mo9 Mo 0.89992 0.76749 0.07170 1.00000
Mo10 Mo 0.92830 0.10008 0.23251 1.00000
Mo11 Mo 0.23251 0.92830 0.10008 1.00000
Mo12 Mo 0.10008 0.23251 0.92830 1.00000
Mo13 Mo 0.18749 0.01387 0.88715 1.00000
Mo14 Mo 0.88715 0.18749 0.01387 1.00000
Mo15 Mo 0.01387 0.88715 0.18749 1.00000
Mo16 Mo 0.81251 0.98613 0.11285 1.00000
Mo17 Mo 0.11285 0.81251 0.98613 1.00000
Mo18 Mo 0.98613 0.11285 0.81251 1.00000
