Ho4ThTc2
Alexandria ALEXAlex-ID: agm006074037 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2589_spg11
Ho2ThTc Ho3Tc HoTc2
2023-10-16 09:24:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074037).
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 agm006074037
data_agm006074037
_cell_length_a 6.32115
_cell_length_b 7.91510
_cell_length_c 7.79101
_cell_angle_alpha 111.77217
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 361.99783
_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
Ho1 Ho 0.50164 0.41666 0.76109 1.00000
Ho2 Ho 0.25000 0.24845 0.32588 1.00000
Ho3 Ho 0.75000 0.75155 0.67412 1.00000
Ho4 Ho 0.99836 0.41666 0.76109 1.00000
Ho5 Ho 0.75000 0.02658 0.39731 1.00000
Ho6 Ho 0.00164 0.58334 0.23891 1.00000
Ho7 Ho 0.49836 0.58334 0.23891 1.00000
Ho8 Ho 0.25000 0.97342 0.60269 1.00000
Th1 Th 0.25000 0.84014 0.96389 1.00000
Th2 Th 0.75000 0.15986 0.03611 1.00000
Tc1 Tc 0.25000 0.23094 0.96599 1.00000
Tc2 Tc 0.75000 0.76906 0.03401 1.00000
Tc3 Tc 0.75000 0.38004 0.41973 1.00000
Tc4 Tc 0.25000 0.61996 0.58027 1.00000
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