La2MgP3Pt7
Alexandria ALEXAlex-ID: agm020050701 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
La2MgP3Pt7
2024-09-30 13:28:08.133440
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020050701).
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 agm020050701
data_agm020050701
_cell_length_a 13.86308
_cell_length_b 13.86308
_cell_length_c 13.86308
_cell_angle_alpha 162.78154
_cell_angle_beta 162.78154
_cell_angle_gamma 24.44401
_cell_volume 233.39667
_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
La1 La 0.33534 0.33534 0.00000 1.00000
La2 La 0.66466 0.66466 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
P1 P 0.11837 0.11837 0.00000 1.00000
P2 P 0.88163 0.88163 0.00000 1.00000
P3 P 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.07206 0.57206 0.50000 1.00000
Pt2 Pt 0.57325 0.07325 0.50000 1.00000
Pt3 Pt 0.92675 0.42675 0.50000 1.00000
Pt4 Pt 0.42794 0.92794 0.50000 1.00000
Pt5 Pt 0.20768 0.20768 0.00000 1.00000
Pt6 Pt 0.79232 0.79232 0.00000 1.00000
Pt7 Pt 0.00000 0.00000 0.00000 1.00000
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