CsCaH14
Alexandria ALEXAlex-ID: agm098925862 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_458_spg1
CaH10 CsH10 CaH2
2025-06-15 16:15:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098925862).
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 agm098925862
data_agm098925862
_cell_length_a 8.12981
_cell_length_b 9.49185
_cell_length_c 7.19160
_cell_angle_alpha 97.03020
_cell_angle_beta 104.15252
_cell_angle_gamma 129.06464
_cell_volume 388.61506
_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
Cs1 Cs 0.83831 0.37868 0.36956 1.00000
Cs2 Cs 0.48926 0.71067 0.13271 1.00000
Ca1 Ca 0.11481 0.07559 0.08289 1.00000
Ca2 Ca 0.40022 0.33673 0.75132 1.00000
H1 H 0.45190 0.36499 0.08826 1.00000
H2 H 0.94613 0.75319 0.29558 1.00000
H3 H 0.61285 0.05809 0.56869 1.00000
H4 H 0.02003 0.25695 0.85738 1.00000
H5 H 0.22462 0.44150 0.70773 1.00000
H6 H 0.94728 0.20496 0.91828 1.00000
H7 H 0.53276 0.07561 0.54027 1.00000
H8 H 0.02364 0.81552 0.40943 1.00000
H9 H 0.50017 0.08781 0.90286 1.00000
H10 H 0.48162 0.78622 0.61110 1.00000
H11 H 0.64681 0.56710 0.49993 1.00000
H12 H 0.30566 0.95217 0.21732 1.00000
H13 H 0.59551 0.08694 0.93944 1.00000
H14 H 0.25318 0.88982 0.10548 1.00000
H15 H 0.71817 0.64329 0.60847 1.00000
H16 H 0.42391 0.69210 0.63198 1.00000
H17 H 0.96015 0.03144 0.54877 1.00000
H18 H 0.15225 0.33004 0.28381 1.00000
H19 H 0.84270 0.52046 0.91871 1.00000
H20 H 0.15427 0.71609 0.76380 1.00000
H21 H 0.94658 0.07502 0.46970 1.00000
H22 H 0.12873 0.77997 0.75675 1.00000
H23 H 0.82606 0.43051 0.88822 1.00000
H24 H 0.28562 0.41326 0.32317 1.00000
H25 H 0.16350 0.04100 0.78924 1.00000
H26 H 0.78403 0.70762 0.94739 1.00000
H27 H 0.36648 0.19273 0.43299 1.00000
H28 H 0.86282 0.08394 0.13878 1.00000
