Tm(Pa3Co4)2
Alexandria ALEXAlex-ID: agm072989804 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_102_spg148
TmPaCo2 Pa3Co5 PaCo
2024-10-05 20:29:15.755031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072989804).
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 agm072989804
data_agm072989804
_cell_length_a 6.76356
_cell_length_b 6.76356
_cell_length_c 6.76356
_cell_angle_alpha 104.30910
_cell_angle_beta 104.30910
_cell_angle_gamma 104.30910
_cell_volume 274.40331
_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 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.62121 0.27057 0.15905 1.00000
Pa2 Pa 0.15905 0.62121 0.27057 1.00000
Pa3 Pa 0.27057 0.15905 0.62121 1.00000
Pa4 Pa 0.37879 0.72943 0.84095 1.00000
Pa5 Pa 0.84095 0.37879 0.72943 1.00000
Pa6 Pa 0.72943 0.84095 0.37879 1.00000
Co1 Co 0.36229 0.36229 0.36229 1.00000
Co2 Co 0.63771 0.63771 0.63771 1.00000
Co3 Co 0.28326 0.40281 0.97851 1.00000
Co4 Co 0.97851 0.28326 0.40281 1.00000
Co5 Co 0.40281 0.97851 0.28326 1.00000
Co6 Co 0.71674 0.59719 0.02149 1.00000
Co7 Co 0.02149 0.71674 0.59719 1.00000
Co8 Co 0.59719 0.02149 0.71674 1.00000
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