Cs2Zn(BS)9
Alexandria ALEXAlex-ID: agm008936726 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9D9_1_spg2
Cs2Zn(BS)9
2024-08-25 14:26:07.382028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008936726).
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 agm008936726
data_agm008936726
_cell_length_a 9.75519
_cell_length_b 10.71325
_cell_length_c 10.81505
_cell_angle_alpha 104.18217
_cell_angle_beta 89.76962
_cell_angle_gamma 114.53840
_cell_volume 990.71925
_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 0.80411 0.17627 0.00687 1.00000
Cs2 Cs 0.19589 0.82373 0.99313 1.00000
Cs3 Cs 0.18246 0.34935 0.52955 1.00000
Cs4 Cs 0.81754 0.65065 0.47045 1.00000
Zn1 Zn 0.31423 0.30785 0.09800 1.00000
Zn2 Zn 0.68577 0.69215 0.90200 1.00000
B1 B 0.50755 0.16341 0.55620 1.00000
B2 B 0.49245 0.83659 0.44380 1.00000
B3 B 0.66485 0.12915 0.58899 1.00000
B4 B 0.33515 0.87085 0.41101 1.00000
B5 B 0.49188 0.05365 0.65815 1.00000
B6 B 0.50812 0.94635 0.34185 1.00000
B7 B 0.33465 0.00789 0.54639 1.00000
B8 B 0.66535 0.99211 0.45361 1.00000
B9 B 0.40969 0.05267 0.40267 1.00000
B10 B 0.59031 0.94733 0.59733 1.00000
B11 B 0.61092 0.12527 0.42996 1.00000
B12 B 0.38908 0.87473 0.57004 1.00000
B13 B 0.73255 0.41518 0.70922 1.00000
B14 B 0.26745 0.58482 0.29078 1.00000
B15 B 0.26694 0.09976 0.79520 1.00000
B16 B 0.73306 0.90024 0.20480 1.00000
B17 B 0.53678 0.25584 0.26346 1.00000
B18 B 0.46322 0.74416 0.73654 1.00000
S1 S 0.54260 0.35196 0.62968 1.00000
S2 S 0.45740 0.64804 0.37032 1.00000
S3 S 0.82374 0.29267 0.69159 1.00000
S4 S 0.17626 0.70733 0.30841 1.00000
S5 S 0.45642 0.11249 0.82722 1.00000
S6 S 0.54358 0.88751 0.17278 1.00000
S7 S 0.17476 0.03173 0.62908 1.00000
S8 S 0.82524 0.96827 0.37092 1.00000
S9 S 0.34808 0.13426 0.29202 1.00000
S10 S 0.65192 0.86574 0.70798 1.00000
S11 S 0.70714 0.26198 0.34128 1.00000
S12 S 0.29286 0.73802 0.65872 1.00000
S13 S 0.84196 0.59756 0.79926 1.00000
S14 S 0.15804 0.40244 0.20074 1.00000
S15 S 0.15895 0.14269 0.92050 1.00000
S16 S 0.84105 0.85731 0.07950 1.00000
S17 S 0.56190 0.36983 0.15999 1.00000
S18 S 0.43810 0.63017 0.84001 1.00000
