MoP8Rh
Alexandria ALEXAlex-ID: agm024339929 · Space group: P-31c (#163)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_18_spg163
MoP4 P3Rh P
2025-02-22 01:24:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024339929).
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 agm024339929
data_agm024339929
_cell_length_a 6.30224
_cell_length_b 6.30224
_cell_length_c 8.87906
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 305.41308
_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
Mo1 Mo 0.66667 0.33333 0.25000 1.00000
Mo2 Mo 0.33333 0.66667 0.75000 1.00000
P1 P 0.04613 0.32780 0.15432 1.00000
P2 P 0.67220 0.71833 0.15432 1.00000
P3 P 0.28167 0.95387 0.15432 1.00000
P4 P 0.67220 0.95387 0.34568 1.00000
P5 P 0.28167 0.32780 0.34568 1.00000
P6 P 0.04613 0.71833 0.34568 1.00000
P7 P 0.95387 0.67220 0.84568 1.00000
P8 P 0.32780 0.28167 0.84568 1.00000
P9 P 0.71833 0.04613 0.84568 1.00000
P10 P 0.32780 0.04613 0.65432 1.00000
P11 P 0.71833 0.67220 0.65432 1.00000
P12 P 0.95387 0.28167 0.65432 1.00000
P13 P 0.33333 0.66667 0.03598 1.00000
P14 P 0.33333 0.66667 0.46402 1.00000
P15 P 0.66667 0.33333 0.96402 1.00000
P16 P 0.66667 0.33333 0.53598 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.50000 1.00000
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