Ca2SnH7
Alexandria ALEXAlex-ID: agm006197658 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_564_spg12
CaH10 Sn CaH2
2023-10-28 08:31:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197658).
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 agm006197658
data_agm006197658
_cell_length_a 6.26644
_cell_length_b 6.41142
_cell_length_c 6.44097
_cell_angle_alpha 146.43924
_cell_angle_beta 60.48996
_cell_angle_gamma 119.05751
_cell_volume 122.96733
_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 0.10662 0.00887 0.39732 1.00000
H2 H 0.85520 0.75691 0.64957 1.00000
H3 H 0.44902 0.55758 0.83993 1.00000
H4 H 0.09063 0.19956 0.19904 1.00000
H5 H 0.60490 0.88087 0.52239 1.00000
H6 H 0.52292 0.21463 0.16445 1.00000
H7 H 0.83066 0.52285 0.85565 1.00000
Ca1 Ca 0.25000 0.66270 0.72926 1.00000
Ca2 Ca 0.67531 0.08765 0.30370 1.00000
Sn1 Sn 0.84714 0.16577 0.80685 1.00000
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