Ca2TmP3Rh7
Alexandria ALEXAlex-ID: agm020121070 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
Ca3P2Rh3 Ca10P19Rh28 Tm2PRh6 CaRh2
2025-01-24 18:56:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020121070).
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 agm020121070
data_agm020121070
_cell_length_a 13.56056
_cell_length_b 13.56056
_cell_length_c 13.56056
_cell_angle_alpha 162.76754
_cell_angle_beta 162.76754
_cell_angle_gamma 24.46405
_cell_volume 218.79266
_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 0.83556 0.83556 0.00000 1.00000
Ca2 Ca 0.16444 0.16444 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
P1 P 0.62201 0.62201 0.00000 1.00000
P2 P 0.37799 0.37799 0.00000 1.00000
P3 P 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.57845 0.07845 0.50000 1.00000
Rh2 Rh 0.07832 0.57832 0.50000 1.00000
Rh3 Rh 0.42168 0.92168 0.50000 1.00000
Rh4 Rh 0.92155 0.42155 0.50000 1.00000
Rh5 Rh 0.71183 0.71183 0.00000 1.00000
Rh6 Rh 0.28817 0.28817 0.00000 1.00000
Rh7 Rh 0.50000 0.50000 0.00000 1.00000
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