PrMn2SnH6
Alexandria ALEXAlex-ID: agm007682989 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2242_spg1
PrMnH6 Pr2Sn5 Mn4H3 Sn
2024-02-10 16:49:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007682989).
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 agm007682989
data_agm007682989
_cell_length_a 3.80728
_cell_length_b 6.15363
_cell_length_c 5.06457
_cell_angle_alpha 106.14493
_cell_angle_beta 112.05474
_cell_angle_gamma 89.98433
_cell_volume 104.91065
_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
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Mn1 Mn 0.76502 0.14247 0.53003 1.00000
Mn2 Mn 0.23498 0.85753 0.46997 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.83838 0.42604 0.67665 1.00000
H2 H 0.60492 0.20478 0.21070 1.00000
H3 H 0.28607 0.15521 0.57192 1.00000
H4 H 0.16162 0.57396 0.32335 1.00000
H5 H 0.39508 0.79522 0.78930 1.00000
H6 H 0.71393 0.84479 0.42808 1.00000
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