Sr2PmH6
Alexandria ALEXAlex-ID: agm006511643 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_429_spg2
PmH2 SrH2
2024-02-28 20:07:34.469679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006511643).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006511643
data_agm006511643
_cell_length_a 6.95201
_cell_length_b 6.95201
_cell_length_c 6.95201
_cell_angle_alpha 146.77668
_cell_angle_beta 131.55859
_cell_angle_gamma 60.00483
_cell_volume 136.50583
_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
Sr1 Sr 0.66702 0.66702 0.00000 1.00000
Sr2 Sr 0.33298 0.33298 0.00000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
H1 H 0.39644 0.15794 0.23850 1.00000
H2 H 0.08056 0.84206 0.23850 1.00000
H3 H 0.60356 0.84206 0.76150 1.00000
H4 H 0.22795 0.50000 0.72795 1.00000
H5 H 0.91944 0.15794 0.76150 1.00000
H6 H 0.77205 0.50000 0.27205 1.00000
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