Pm3H9N2
Alexandria ALEXAlex-ID: agm006205404 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_853_spg8
PmH3 H3N PmN
2024-02-02 03:35:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205404).
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 agm006205404
data_agm006205404
_cell_length_a 5.02648
_cell_length_b 3.57147
_cell_length_c 11.16005
_cell_angle_alpha 90.18704
_cell_angle_beta 90.05159
_cell_angle_gamma 134.72742
_cell_volume 142.33520
_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
N1 N 0.23444 0.54061 0.10468 1.00000
N2 N 0.69659 0.46581 0.90370 1.00000
Pm1 Pm 0.24614 0.56271 0.41887 1.00000
Pm2 Pm 0.74400 0.55973 0.14092 1.00000
Pm3 Pm 0.74755 0.56494 0.69037 1.00000
H1 H 0.74622 0.56274 0.44163 1.00000
H2 H 0.74302 0.05918 0.29652 1.00000
H3 H 0.73179 0.21516 0.91389 1.00000
H4 H 0.24824 0.06261 0.57054 1.00000
H5 H 0.74422 0.06254 0.57055 1.00000
H6 H 0.24528 0.05929 0.29653 1.00000
H7 H 0.23558 0.54116 0.72624 1.00000
H8 H 0.22585 0.52482 0.01194 1.00000
H9 H 0.41107 0.21869 0.91362 1.00000
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