SrH7C2
Alexandria ALEXAlex-ID: agm006201464 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_952_spg2
C H4C SrH2
2024-02-07 09:43:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201464).
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 agm006201464
data_agm006201464
_cell_length_a 11.29014
_cell_length_b 12.25928
_cell_length_c 4.45731
_cell_angle_alpha 114.50385
_cell_angle_beta 17.93457
_cell_angle_gamma 121.86479
_cell_volume 152.04206
_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
H1 H 0.00584 0.89898 0.77798 1.00000
H2 H 0.04407 0.68565 0.98221 1.00000
H3 H 0.50812 0.65564 0.26237 1.00000
H4 H 0.11378 0.05348 0.50562 1.00000
H5 H 0.52401 0.99988 0.46689 1.00000
H6 H 0.38480 0.05959 0.20591 1.00000
H7 H 0.74048 0.65224 0.34881 1.00000
C1 C 0.25772 0.00314 0.23756 1.00000
C2 C 0.71362 0.61703 0.61017 1.00000
Sr1 Sr 0.93996 0.43175 0.07065 1.00000
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