NdMn2GeH8
Alexandria ALEXAlex-ID: agm007453227 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1210_spg12
Mn3GeH NdMnH5 MnGe GeH8
2024-02-08 00:43:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007453227).
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 agm007453227
data_agm007453227
_cell_length_a 4.38833
_cell_length_b 4.36921
_cell_length_c 6.09614
_cell_angle_alpha 113.33515
_cell_angle_beta 93.49656
_cell_angle_gamma 110.17183
_cell_volume 98.05797
_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
Nd1 Nd 0.42835 0.99502 0.50616 1.00000
Mn1 Mn 0.26873 0.63270 0.88958 1.00000
Mn2 Mn 0.74453 0.39654 0.12413 1.00000
Ge1 Ge 0.86237 0.88090 0.00653 1.00000
H1 H 0.90613 0.36351 0.34818 1.00000
H2 H 0.40660 0.33078 0.92041 1.00000
H3 H 0.44315 0.58476 0.65976 1.00000
H4 H 0.40588 0.10132 0.14931 1.00000
H5 H 0.05948 0.73774 0.73062 1.00000
H6 H 0.13519 0.48545 0.10631 1.00000
H7 H 0.02227 0.23485 0.68746 1.00000
H8 H 0.81731 0.75641 0.37154 1.00000
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