MgH4Ir2Pt
Alexandria ALEXAlex-ID: agm007461536 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_37_spg42
Mg3(H6Ir)2 H3Pt MgPt3 Ir
2024-03-26 03:23:08.914833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007461536).
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 agm007461536
data_agm007461536
_cell_length_a 5.29047
_cell_length_b 5.28686
_cell_length_c 4.20801
_cell_angle_alpha 66.60234
_cell_angle_beta 66.51215
_cell_angle_gamma 46.88552
_cell_volume 77.42024
_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 0.99182 0.99182 0.00818 1.00000
H1 H 0.14011 0.57302 0.42698 1.00000
H2 H 0.40320 0.88667 0.59680 1.00000
H3 H 0.88667 0.40320 0.11333 1.00000
H4 H 0.57302 0.14011 0.85989 1.00000
Ir1 Ir 0.25057 0.25057 0.24943 1.00000
Ir2 Ir 0.75057 0.75057 0.74943 1.00000
Pt1 Pt 0.50528 0.50528 0.49472 1.00000
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