Cs2PtBr5NO
Alexandria ALEXAlex-ID: agm010878419 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E5_15_spg19
Pt3O4 CsNO3 Pt(NO)2 Cs2PtBr6 CsBrN4
2025-01-25 04:05:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010878419).
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 agm010878419
data_agm010878419
_cell_length_a 7.84268
_cell_length_b 15.46358
_cell_length_c 11.17950
_cell_angle_alpha 90.00000
_cell_angle_beta 89.32507
_cell_angle_gamma 90.00000
_cell_volume 1355.71061
_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 0.45468 0.63994 0.73793 1.00000
Cs2 Cs 0.55330 0.14160 0.75616 1.00000
Cs3 Cs 0.95458 0.86022 0.23799 1.00000
Cs4 Cs 0.54532 0.13994 0.26207 1.00000
Cs5 Cs 0.05324 0.35854 0.25609 1.00000
Cs6 Cs 0.04542 0.36022 0.76201 1.00000
Cs7 Cs 0.94676 0.85854 0.74391 1.00000
Cs8 Cs 0.44670 0.64160 0.24384 1.00000
Pt1 Pt 0.53125 0.38618 0.50698 1.00000
Pt2 Pt 0.03132 0.11394 0.00703 1.00000
Pt3 Pt 0.96868 0.61394 0.99297 1.00000
Pt4 Pt 0.46875 0.88618 0.49302 1.00000
Br1 Br 0.77149 0.27930 0.50978 1.00000
Br2 Br 0.80322 0.24798 0.00868 1.00000
Br3 Br 0.02821 0.11201 0.23354 1.00000
Br4 Br 0.52816 0.38813 0.73347 1.00000
Br5 Br 0.78428 0.00900 0.00272 1.00000
Br6 Br 0.21572 0.50900 0.99728 1.00000
Br7 Br 0.47184 0.88813 0.26653 1.00000
Br8 Br 0.22851 0.77930 0.49022 1.00000
Br9 Br 0.95874 0.61388 0.21712 1.00000
Br10 Br 0.04126 0.11388 0.78288 1.00000
Br11 Br 0.19678 0.74798 0.99132 1.00000
Br12 Br 0.54125 0.38625 0.28285 1.00000
Br13 Br 0.45875 0.88625 0.71715 1.00000
Br14 Br 0.30321 0.25213 0.50868 1.00000
Br15 Br 0.28424 0.49112 0.50268 1.00000
Br16 Br 0.71576 0.99112 0.49732 1.00000
Br17 Br 0.72838 0.72082 0.99021 1.00000
Br18 Br 0.69679 0.75213 0.49132 1.00000
Br19 Br 0.27162 0.22082 0.00979 1.00000
Br20 Br 0.97179 0.61201 0.76646 1.00000
N1 N 0.31032 0.99106 0.48190 1.00000
N2 N 0.81020 0.50909 0.98182 1.00000
N3 N 0.68968 0.49106 0.51810 1.00000
N4 N 0.18980 0.00909 0.01818 1.00000
O1 O 0.81813 0.49118 0.46158 1.00000
O2 O 0.18187 0.99118 0.53842 1.00000
O3 O 0.68182 0.50892 0.03841 1.00000
O4 O 0.31818 0.00892 0.96159 1.00000
