Ca5Tm3(Sb3Rh4)4
Alexandria ALEXAlex-ID: agm017447554 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12D16_0_spg189
Ca(Sb2Rh3)2 Tm2SbRh5 Tm4Sb6Rh7 Ca4Sb6Rh7
2025-03-25 06:11:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017447554).
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 agm017447554
data_agm017447554
_cell_length_a 4.27980
_cell_length_b 14.08113
_cell_length_c 14.08073
_cell_angle_alpha 119.99585
_cell_angle_beta 89.99939
_cell_angle_gamma 90.00138
_cell_volume 734.91125
_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 0.49975 0.81629 0.00004 1.00000
Ca2 Ca 0.50010 0.18385 0.18383 1.00000
Ca3 Ca 0.50013 0.99998 0.81628 1.00000
Ca4 Ca 0.00003 0.66667 0.33331 1.00000
Ca5 Ca 0.00003 0.33331 0.66667 1.00000
Tm1 Tm 0.00031 0.43554 0.99991 1.00000
Tm2 Tm 0.99988 0.56439 0.56445 1.00000
Tm3 Tm 0.99986 0.00004 0.43561 1.00000
Sb1 Sb 0.00019 0.17861 0.00003 1.00000
Sb2 Sb 0.99994 0.82133 0.82136 1.00000
Sb3 Sb 0.99989 0.00006 0.17863 1.00000
Sb4 Sb 0.49987 0.82132 0.30686 1.00000
Sb5 Sb 0.50022 0.48559 0.17866 1.00000
Sb6 Sb 0.50000 0.69310 0.51438 1.00000
Sb7 Sb 0.50022 0.30677 0.82124 1.00000
Sb8 Sb 0.49998 0.17876 0.48558 1.00000
Sb9 Sb 0.49988 0.51441 0.69320 1.00000
Sb10 Sb 0.99944 0.64494 0.00004 1.00000
Sb11 Sb 0.00026 0.35515 0.35509 1.00000
Sb12 Sb 0.00026 0.99995 0.64489 1.00000
Rh1 Rh 0.50020 0.28385 0.00001 1.00000
Rh2 Rh 0.49993 0.71611 0.71613 1.00000
Rh3 Rh 0.49990 0.00005 0.28386 1.00000
Rh4 Rh 0.99982 0.82364 0.19849 1.00000
Rh5 Rh 0.00024 0.37492 0.17639 1.00000
Rh6 Rh 0.00002 0.80147 0.62508 1.00000
Rh7 Rh 0.00026 0.19840 0.82358 1.00000
Rh8 Rh 0.00001 0.17647 0.37489 1.00000
Rh9 Rh 0.99982 0.62508 0.80155 1.00000
Rh10 Rh 0.49947 0.63782 0.12053 1.00000
Rh11 Rh 0.50036 0.48276 0.36219 1.00000
Rh12 Rh 0.50014 0.87945 0.51720 1.00000
Rh13 Rh 0.50038 0.12048 0.63771 1.00000
Rh14 Rh 0.50017 0.36232 0.48282 1.00000
Rh15 Rh 0.49943 0.51714 0.87950 1.00000
Rh16 Rh 0.99958 0.99994 0.99995 1.00000
