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ErSnRh

Alexandria ALEX

Alex-ID: agm002309110 · Space group: Cmcm (#63)

Basic Information

Formula
ErSnRh
Alex-ID
agm002309110
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
125.21
ų
Cell a
4.3896
Å
Cell b
4.6033
Å
Cell c
6.5651
Å
α angle
90.00
°
β angle
109.29
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
ErSnRh
Rh
2.00 · 33.3%
Sn
2.00 · 33.3%
Er
2.00 · 33.3%

Energy & Stability

Energy above hull
0.1395
eV/atom
Formation energy
-0.7718
eV/atom
Corrected total energy
-36.4648
eV
Raw total energy
-36.4648
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0132
eV
DOS at Fermi level
2.8271
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_30_spg11

Decomposition

ErSnRh

Computed at

2018-12-27 01:17:56

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002309110).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm002309110
data_agm002309110
_cell_length_a     4.38958
_cell_length_b     4.60326
_cell_length_c     6.56507
_cell_angle_alpha  90.00122
_cell_angle_beta   109.29080
_cell_angle_gamma  89.99834
_cell_volume       125.20830
_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
  Rh1 Rh 0.24995 0.24766 0.49235 1.00000
  Rh2 Rh 0.75776 0.74769 0.51089 1.00000
  Sn1 Sn 0.61441 0.24781 0.21964 1.00000
  Sn2 Sn 0.39326 0.74783 0.78357 1.00000
  Er1 Er 0.89853 0.24778 0.79375 1.00000
  Er2 Er 0.10923 0.74777 0.20951 1.00000
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