NpMn(BeH4)2
Alexandria ALEXAlex-ID: agm007382706 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
NpMnH5 NpH3 MnBe2 BeH2
2025-05-27 06:44:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007382706).
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 agm007382706
data_agm007382706
_cell_length_a 4.04289
_cell_length_b 4.04443
_cell_length_c 6.04675
_cell_angle_alpha 70.49027
_cell_angle_beta 70.50702
_cell_angle_gamma 59.99736
_cell_volume 79.00614
_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
Np1 Np 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.29406 0.29416 0.11752 1.00000
Be2 Be 0.70594 0.70584 0.88248 1.00000
H1 H 0.19067 0.19051 0.42817 1.00000
H2 H 0.64976 0.27919 0.17072 1.00000
H3 H 0.80933 0.80949 0.57183 1.00000
H4 H 0.90063 0.64977 0.17090 1.00000
H5 H 0.09937 0.35023 0.82910 1.00000
H6 H 0.28057 0.89989 0.17012 1.00000
H7 H 0.71943 0.10011 0.82988 1.00000
H8 H 0.35024 0.72081 0.82928 1.00000
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