Mg2(ReH3)3
Alexandria ALEXAlex-ID: agm006201095 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_423_spg164
Re8H Mg2ReH7 H2
2024-02-02 02:13:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201095).
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 agm006201095
data_agm006201095
_cell_length_a 3.43761
_cell_length_b 3.43761
_cell_length_c 11.35977
_cell_angle_alpha 89.99998
_cell_angle_beta 89.99998
_cell_angle_gamma 119.99999
_cell_volume 116.25526
_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 0.33333 0.66667 0.81113 1.00000
Mg2 Mg 0.66667 0.33333 0.18887 1.00000
Re1 Re 0.33333 0.66667 0.40880 1.00000
Re2 Re 0.00000 0.00000 1.00000 1.00000
Re3 Re 0.66667 0.33333 0.59120 1.00000
H1 H 0.83515 0.67030 0.34688 1.00000
H2 H 0.83515 0.16485 0.34688 1.00000
H3 H 0.50000 1.00000 0.00000 1.00000
H4 H 0.16485 0.83515 0.65312 1.00000
H5 H 0.67030 0.83515 0.65312 1.00000
H6 H 0.32970 0.16485 0.34688 1.00000
H7 H 0.16485 0.32970 0.65312 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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