Tm3Os
Alexandria ALEXAlex-ID: agm005543391 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_281_spg86
Tm3Os
2023-05-28 20:33:52.628428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543391).
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 agm005543391
data_agm005543391
_cell_length_a 5.99000
_cell_length_b 11.52871
_cell_length_c 11.52871
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 796.13774
_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
Tm1 Tm 0.03389 0.28117 0.83342 1.00000
Tm2 Tm 0.03389 0.71883 0.16658 1.00000
Tm3 Tm 0.53389 0.66658 0.78117 1.00000
Tm4 Tm 0.53389 0.33342 0.21883 1.00000
Tm5 Tm 0.46611 0.21883 0.66658 1.00000
Tm6 Tm 0.46611 0.78117 0.33342 1.00000
Tm7 Tm 0.96611 0.83342 0.71883 1.00000
Tm8 Tm 0.96611 0.16658 0.28117 1.00000
Tm9 Tm 0.54439 0.37528 0.91476 1.00000
Tm10 Tm 0.54439 0.62472 0.08524 1.00000
Tm11 Tm 0.04439 0.58524 0.87528 1.00000
Tm12 Tm 0.04439 0.41476 0.12472 1.00000
Tm13 Tm 0.95561 0.12472 0.58524 1.00000
Tm14 Tm 0.95561 0.87528 0.41476 1.00000
Tm15 Tm 0.45561 0.91476 0.62472 1.00000
Tm16 Tm 0.45561 0.08524 0.37528 1.00000
Tm17 Tm 0.73312 0.04624 0.86712 1.00000
Tm18 Tm 0.73312 0.95376 0.13288 1.00000
Tm19 Tm 0.23312 0.63288 0.54624 1.00000
Tm20 Tm 0.23312 0.36712 0.45376 1.00000
Tm21 Tm 0.76688 0.45376 0.63288 1.00000
Tm22 Tm 0.76688 0.54624 0.36712 1.00000
Tm23 Tm 0.26688 0.86712 0.95376 1.00000
Tm24 Tm 0.26688 0.13288 0.04624 1.00000
Os1 Os 0.78503 0.79199 0.94492 1.00000
Os2 Os 0.78503 0.20801 0.05508 1.00000
Os3 Os 0.28503 0.55508 0.29199 1.00000
Os4 Os 0.28503 0.44492 0.70801 1.00000
Os5 Os 0.71497 0.70801 0.55508 1.00000
Os6 Os 0.71497 0.29199 0.44492 1.00000
Os7 Os 0.21497 0.94492 0.20801 1.00000
Os8 Os 0.21497 0.05508 0.79199 1.00000
