Ba4Ho2BiPtO12
Alexandria ALEXAlex-ID: agm011296532 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E12_49_spg12
Ba2HoPtO6 Ba2HoBiO6
2024-08-08 04:32:01.314766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011296532).
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 agm011296532
data_agm011296532
_cell_length_a 6.04113
_cell_length_b 6.04291
_cell_length_c 10.49360
_cell_angle_alpha 90.13093
_cell_angle_beta 106.58165
_cell_angle_gamma 119.82411
_cell_volume 313.69467
_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
Ba1 Ba 0.24269 0.12135 0.86808 1.00000
Ba2 Ba 0.25562 0.62828 0.38079 1.00000
Ba3 Ba 0.74438 0.37172 0.61921 1.00000
Ba4 Ba 0.75731 0.87865 0.13192 1.00000
Ho1 Ho 0.49459 0.74676 0.74500 1.00000
Ho2 Ho 0.50541 0.25324 0.25500 1.00000
Bi1 Bi 0.00000 0.50000 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
O1 O 0.78225 0.88985 0.62781 1.00000
O2 O 0.79975 0.39590 0.14563 1.00000
O3 O 0.20025 0.60410 0.85437 1.00000
O4 O 0.21775 0.11015 0.37219 1.00000
O5 O 0.74954 0.11292 0.89185 1.00000
O6 O 0.76290 0.63654 0.39327 1.00000
O7 O 0.23710 0.36346 0.60673 1.00000
O8 O 0.25046 0.88708 0.10815 1.00000
O9 O 0.25651 0.89972 0.61437 1.00000
O10 O 0.28405 0.41001 0.11996 1.00000
O11 O 0.71595 0.58999 0.88004 1.00000
O12 O 0.74349 0.10028 0.38563 1.00000
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