Er2Sc3Pt4
Alexandria ALEXAlex-ID: agm003334151 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_206_spg64
Er2Sc3Pt4
2022-02-02 08:35:16.299789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003334151).
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 agm003334151
data_agm003334151
_cell_length_a 5.96773
_cell_length_b 7.39209
_cell_length_c 8.92752
_cell_angle_alpha 90.00000
_cell_angle_beta 109.52585
_cell_angle_gamma 90.00000
_cell_volume 371.17922
_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
Er1 Er 0.09746 0.59112 0.19492 1.00000
Er2 Er 0.90254 0.40888 0.80508 1.00000
Er3 Er 0.40254 0.09112 0.80508 1.00000
Er4 Er 0.59746 0.90888 0.19492 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.50000 0.50000 0.00000 1.00000
Sc3 Sc 0.51805 0.75000 0.53610 1.00000
Sc4 Sc 0.98195 0.25000 0.46390 1.00000
Sc5 Sc 0.48195 0.25000 0.46390 1.00000
Sc6 Sc 0.01805 0.75000 0.53610 1.00000
Pt1 Pt 0.68259 0.75000 0.86519 1.00000
Pt2 Pt 0.81741 0.25000 0.13481 1.00000
Pt3 Pt 0.31741 0.25000 0.13481 1.00000
Pt4 Pt 0.18259 0.75000 0.86519 1.00000
Pt5 Pt 0.16742 0.95747 0.33484 1.00000
Pt6 Pt 0.83258 0.04253 0.66516 1.00000
Pt7 Pt 0.33258 0.45747 0.66516 1.00000
Pt8 Pt 0.66742 0.54253 0.33484 1.00000
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