CaHo3Tl2
Alexandria ALEXAlex-ID: agm034657140 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2327_spg63
Ca3Ho2Tl3 Ho9Tl4 Ca2Tl
2025-04-15 04:38:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034657140).
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 agm034657140
data_agm034657140
_cell_length_a 6.96329
_cell_length_b 5.28084
_cell_length_c 9.42749
_cell_angle_alpha 90.00000
_cell_angle_beta 90.22430
_cell_angle_gamma 90.00000
_cell_volume 346.66551
_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
Ca1 Ca 0.48705 0.75000 0.72093 1.00000
Ca2 Ca 0.51295 0.25000 0.27907 1.00000
Ho1 Ho 0.70411 0.25000 0.92065 1.00000
Ho2 Ho 0.29589 0.75000 0.07935 1.00000
Ho3 Ho 0.01092 0.25000 0.21483 1.00000
Ho4 Ho 0.98908 0.75000 0.78517 1.00000
Ho5 Ho 0.79974 0.75000 0.42356 1.00000
Ho6 Ho 0.20026 0.25000 0.57644 1.00000
Tl1 Tl 0.76691 0.75000 0.09316 1.00000
Tl2 Tl 0.23309 0.25000 0.90684 1.00000
Tl3 Tl 0.74136 0.25000 0.59322 1.00000
Tl4 Tl 0.25864 0.75000 0.40678 1.00000
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