Tc2As
Alexandria ALEXAlex-ID: agm005458034 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1946_spg8
Tc2As3 Tc
2023-03-18 06:17:54.160274
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005458034).
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 agm005458034
data_agm005458034
_cell_length_a 4.92592
_cell_length_b 4.92592
_cell_length_c 6.43170
_cell_angle_alpha 83.42923
_cell_angle_beta 83.42923
_cell_angle_gamma 35.45055
_cell_volume 89.86103
_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
Tc1 Tc 0.68885 0.68885 0.66349 1.00000
Tc2 Tc 0.56579 0.56579 0.27292 1.00000
Tc3 Tc 0.96277 0.96277 0.60202 1.00000
Tc4 Tc 0.30276 0.30276 0.96762 1.00000
As1 As 0.02886 0.02886 0.96397 1.00000
As2 As 0.28431 0.28431 0.36330 1.00000
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