SrH6C
Alexandria ALEXAlex-ID: agm079298352 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_395_spg12
H4C SrH2
2025-06-27 10:38:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079298352).
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 agm079298352
data_agm079298352
_cell_length_a 4.00861
_cell_length_b 4.00684
_cell_length_c 8.69247
_cell_angle_alpha 112.84470
_cell_angle_beta 80.63879
_cell_angle_gamma 120.05243
_cell_volume 111.28054
_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 0.33510 0.49439 0.18187 1.00000
H1 H 0.50145 0.19781 0.58186 1.00000
H2 H 0.12761 0.11148 0.72908 1.00000
H3 H 0.67881 0.26168 0.29466 1.00000
H4 H 0.34811 0.78764 0.65897 1.00000
H5 H 0.61905 0.31602 0.79238 1.00000
H6 H 0.99187 0.72879 0.07057 1.00000
C1 C 0.39801 0.10219 0.69061 1.00000
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