La2Nb2Tc
Alexandria ALEXAlex-ID: agm003003115 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_35_spg127
Nb2Tc La
2016-12-06 01:55:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003003115).
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 agm003003115
data_agm003003115
_cell_length_a 6.68129
_cell_length_b 6.68129
_cell_length_c 5.46919
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 244.14275
_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
Nb1 Nb 0.35313 0.85313 0.00000 1.00000
Nb2 Nb 0.85313 0.64687 0.00000 1.00000
Nb3 Nb 0.64687 0.14687 0.00000 1.00000
Nb4 Nb 0.14687 0.35313 0.00000 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.50000 0.50000 0.00000 1.00000
La1 La 0.17119 0.67119 0.50000 1.00000
La2 La 0.67119 0.82881 0.50000 1.00000
La3 La 0.82881 0.32881 0.50000 1.00000
La4 La 0.32881 0.17119 0.50000 1.00000
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