Mg2CrH8Pt
Alexandria ALEXAlex-ID: agm007261573 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_374_spg119
Mg2CrH8 CrH MgH6Pt MgPt
2024-02-09 01:53:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007261573).
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 agm007261573
data_agm007261573
_cell_length_a 4.98769
_cell_length_b 5.09040
_cell_length_c 5.16989
_cell_angle_alpha 115.16034
_cell_angle_beta 82.26976
_cell_angle_gamma 91.02686
_cell_volume 117.61387
_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 0.42029 0.59435 0.80964 1.00000
Mg2 Mg 0.91597 0.61057 0.30396 1.00000
Cr1 Cr 0.42243 0.23625 0.21673 1.00000
H1 H 0.76224 0.19873 0.96568 1.00000
H2 H 0.66783 0.89557 0.19506 1.00000
H3 H 0.95606 0.51862 0.78800 1.00000
H4 H 0.17488 0.95929 0.13415 1.00000
H5 H 0.09107 0.89900 0.64188 1.00000
H6 H 0.26546 0.44160 0.08227 1.00000
H7 H 0.39253 0.20307 0.53593 1.00000
H8 H 0.53520 0.57148 0.41093 1.00000
Pt1 Pt 0.89602 0.87148 0.91577 1.00000
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