RbMgAlP2
Alexandria ALEXAlex-ID: agm024288397 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_6_spg12
RbMgP AlP
2025-01-02 16:52:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024288397).
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 agm024288397
data_agm024288397
_cell_length_a 7.09198
_cell_length_b 7.09198
_cell_length_c 10.60337
_cell_angle_alpha 60.88855
_cell_angle_beta 119.11145
_cell_angle_gamma 146.44186
_cell_volume 253.90679
_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
Rb1 Rb 0.16950 0.83050 0.62149 1.00000
Rb2 Rb 0.83050 0.16950 0.37851 1.00000
Mg1 Mg 0.64943 0.35057 0.92452 1.00000
Mg2 Mg 0.35057 0.64943 0.07548 1.00000
Al1 Al 0.96498 0.03502 0.82820 1.00000
Al2 Al 0.03502 0.96498 0.17180 1.00000
P1 P 0.54498 0.45502 0.30498 1.00000
P2 P 0.45502 0.54498 0.69502 1.00000
P3 P 0.15460 0.84540 0.06583 1.00000
P4 P 0.84540 0.15460 0.93417 1.00000
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