ThBe2Pt2N
Alexandria ALEXAlex-ID: agm061584052 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_96_spg71
ThBe2Pt3 Th3Pt5 Be3N2
2025-04-16 19:26:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061584052).
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 agm061584052
data_agm061584052
_cell_length_a 3.89007
_cell_length_b 3.89007
_cell_length_c 6.23695
_cell_angle_alpha 71.78419
_cell_angle_beta 108.21581
_cell_angle_gamma 89.91290
_cell_volume 84.64215
_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
Th1 Th 0.50000 0.50000 0.00000 1.00000
Be1 Be 0.14178 0.85822 0.28355 1.00000
Be2 Be 0.85822 0.14178 0.71645 1.00000
Pt1 Pt 0.24989 0.24989 0.50000 1.00000
Pt2 Pt 0.75011 0.75011 0.50000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
