La3Sc7Ir4
Alexandria ALEXAlex-ID: agm005703035 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Sc5Ir3 Sc11Ir4 La7Ir3
2023-06-29 17:36:03.016099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703035).
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 agm005703035
data_agm005703035
_cell_length_a 4.48051
_cell_length_b 8.78056
_cell_length_c 9.04587
_cell_angle_alpha 73.55912
_cell_angle_beta 75.66122
_cell_angle_gamma 75.21824
_cell_volume 324.06971
_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 0.30842 0.19228 0.19088 1.00000
La2 La 0.69158 0.80772 0.80912 1.00000
La3 La 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.30452 0.85884 0.53212 1.00000
Sc2 Sc 0.49325 0.22587 0.78763 1.00000
Sc3 Sc 0.83364 0.40969 0.92304 1.00000
Sc4 Sc 0.69548 0.14116 0.46788 1.00000
Sc5 Sc 0.16636 0.59031 0.07696 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.50675 0.77413 0.21237 1.00000
Ir1 Ir 0.66737 0.44424 0.22101 1.00000
Ir2 Ir 0.33263 0.55576 0.77899 1.00000
Ir3 Ir 0.89211 0.87062 0.34517 1.00000
Ir4 Ir 0.10789 0.12938 0.65483 1.00000
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