Tm3IrPb
Alexandria ALEXAlex-ID: agm005802074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1539_spg12
Tm5Ir3 Tm5Pb3 Tm2IrPb
2023-07-06 03:23:19.314387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802074).
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 agm005802074
data_agm005802074
_cell_length_a 4.50648
_cell_length_b 7.61092
_cell_length_c 8.64973
_cell_angle_alpha 73.76524
_cell_angle_beta 74.90034
_cell_angle_gamma 72.77925
_cell_volume 266.91520
_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 0.84656 0.02441 0.28247 1.00000
Tm2 Tm 0.15344 0.97559 0.71753 1.00000
Tm3 Tm 0.59307 0.75848 0.05537 1.00000
Tm4 Tm 0.40693 0.24152 0.94463 1.00000
Tm5 Tm 0.85951 0.56125 0.71972 1.00000
Tm6 Tm 0.14049 0.43875 0.28028 1.00000
Ir1 Ir 0.22552 0.62785 0.92110 1.00000
Ir2 Ir 0.77448 0.37215 0.07890 1.00000
Pb1 Pb 0.41273 0.73573 0.43882 1.00000
Pb2 Pb 0.58727 0.26427 0.56118 1.00000
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