MnGa2H7
Alexandria ALEXAlex-ID: agm006201038 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_814_spg8
GaH9 MnGa4 MnH2
2023-12-30 22:15:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201038).
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 agm006201038
data_agm006201038
_cell_length_a 4.52841
_cell_length_b 5.99422
_cell_length_c 5.79609
_cell_angle_alpha 125.74019
_cell_angle_beta 54.30888
_cell_angle_gamma 131.96464
_cell_volume 89.97593
_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
H1 H 0.90777 0.57639 0.26999 1.00000
H2 H 0.82544 0.97143 0.74852 1.00000
H3 H 0.35742 0.32134 0.70011 1.00000
H4 H 0.03894 0.34464 0.27150 1.00000
H5 H 0.54613 0.90622 0.47648 1.00000
H6 H 0.49944 0.17543 0.19384 1.00000
H7 H 0.05148 0.46634 0.82998 1.00000
Mn1 Mn 0.98541 0.29394 0.00132 1.00000
Ga1 Ga 0.49433 0.17508 0.83719 1.00000
Ga2 Ga 0.52603 0.82659 0.13923 1.00000
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