MgTi3Rh4
Alexandria ALEXAlex-ID: agm013567705 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_304_spg12
MgTi2Rh3 TiRh
2024-12-08 15:42:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013567705).
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
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# CIF generated by HEAS from Alexandria entry agm013567705
data_agm013567705
_cell_length_a 6.85139
_cell_length_b 6.85139
_cell_length_c 6.85139
_cell_angle_alpha 142.25277
_cell_angle_beta 142.25278
_cell_angle_gamma 54.44822
_cell_volume 119.70326
_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
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ti2 Ti 0.74804 0.74804 0.00000 1.00000
Ti3 Ti 0.25196 0.25196 0.00000 1.00000
Rh1 Rh 0.87200 0.37200 0.50000 1.00000
Rh2 Rh 0.12800 0.62800 0.50000 1.00000
Rh3 Rh 0.62800 0.12800 0.50000 1.00000
Rh4 Rh 0.37200 0.87200 0.50000 1.00000
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