Tm16Mg3InPt4
Alexandria ALEXAlex-ID: agm020831765 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D16_19_spg160
Tm16Mg3InPt4
2024-09-30 12:05:56.749648
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020831765).
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 agm020831765
data_agm020831765
_cell_length_a 9.59269
_cell_length_b 9.59269
_cell_length_c 9.59269
_cell_angle_alpha 60.39320
_cell_angle_beta 60.39320
_cell_angle_gamma 60.39320
_cell_volume 629.72588
_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
Tm1 Tm 0.56546 0.93441 0.56546 1.00000
Tm2 Tm 0.93441 0.56546 0.56546 1.00000
Tm3 Tm 0.56546 0.56546 0.93441 1.00000
Tm4 Tm 0.93468 0.56600 0.93468 1.00000
Tm5 Tm 0.56600 0.93468 0.93468 1.00000
Tm6 Tm 0.93468 0.93468 0.56600 1.00000
Tm7 Tm 0.18836 0.81145 0.18836 1.00000
Tm8 Tm 0.81145 0.18836 0.18836 1.00000
Tm9 Tm 0.18836 0.18836 0.81145 1.00000
Tm10 Tm 0.80949 0.19040 0.80949 1.00000
Tm11 Tm 0.19040 0.80949 0.80949 1.00000
Tm12 Tm 0.80949 0.80949 0.19040 1.00000
Tm13 Tm 0.34854 0.34854 0.34854 1.00000
Tm14 Tm 0.35068 0.35068 0.94866 1.00000
Tm15 Tm 0.94866 0.35068 0.35068 1.00000
Tm16 Tm 0.35068 0.94866 0.35068 1.00000
Mg1 Mg 0.58005 0.58005 0.26174 1.00000
Mg2 Mg 0.26174 0.58005 0.58005 1.00000
Mg3 Mg 0.58005 0.26174 0.58005 1.00000
In1 In 0.58272 0.58272 0.58272 1.00000
Pt1 Pt 0.14295 0.14295 0.14295 1.00000
Pt2 Pt 0.14145 0.14145 0.57275 1.00000
Pt3 Pt 0.57275 0.14145 0.14145 1.00000
Pt4 Pt 0.14145 0.57275 0.14145 1.00000
