Ba2BeAsPt6
Alexandria ALEXAlex-ID: agm004926348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_455_spg166
Ba2Pt7 BaAsPt Be5Pt6 BaPt5
2022-07-21 11:41:08.374710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004926348).
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 agm004926348
data_agm004926348
_cell_length_a 6.68435
_cell_length_b 6.85937
_cell_length_c 6.69443
_cell_angle_alpha 69.78847
_cell_angle_beta 51.62034
_cell_angle_gamma 91.44958
_cell_volume 213.46666
_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 0.74289 0.30737 0.43618 1.00000
Ba2 Ba 0.25711 0.69264 0.56382 1.00000
Be1 Be 1.00000 1.00000 0.00000 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.19973 0.21358 0.51225 1.00000
Pt2 Pt 0.75679 0.86010 0.89598 1.00000
Pt3 Pt 0.27344 0.78618 0.01467 1.00000
Pt4 Pt 0.72656 0.21382 0.98533 1.00000
Pt5 Pt 0.24320 0.13990 0.10402 1.00000
Pt6 Pt 0.80027 0.78642 0.48775 1.00000
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