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Sm8ErOs4

Alexandria ALEX

Alex-ID: agm098154366 · Space group: Pm (#6)

Basic Information

Formula
Sm8ErOs4
Alex-ID
agm098154366
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
375.89
ų
Cell a
4.2457
Å
Cell b
9.1393
Å
Cell c
10.2855
Å
α angle
70.36
°
β angle
89.96
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8ErOs4
Sm
8.00 · 61.5%
Er
1.00 · 7.7%
Os
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1980
eV/atom
Formation energy
0.0106
eV/atom
Corrected total energy
-87.1327
eV
Raw total energy
-87.1327
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.4424
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1857_spg1

Decomposition

Er5Os2 Sm5Os2 ErOs2

Computed at

2025-06-19 01:06:00

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: agm098154366).

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 agm098154366
data_agm098154366
_cell_length_a     4.24572
_cell_length_b     9.13933
_cell_length_c     10.28548
_cell_angle_alpha  70.35960
_cell_angle_beta   89.96347
_cell_angle_gamma  89.98737
_cell_volume       375.88817
_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
  Sm1 Sm 0.15412 0.22455 0.17574 1.00000
  Sm2 Sm 0.65291 0.65855 0.11622 1.00000
  Sm3 Sm 0.15409 0.55768 0.60142 1.00000
  Sm4 Sm 0.15372 0.12730 0.71758 1.00000
  Sm5 Sm 0.65505 0.90234 0.33927 1.00000
  Sm6 Sm 0.65420 0.26435 0.43600 1.00000
  Sm7 Sm 0.65397 0.45352 0.90203 1.00000
  Sm8 Sm 0.65387 0.84085 0.70562 1.00000
  Er1 Er 0.65318 0.06295 0.97709 1.00000
  Os1 Os 0.15302 0.86659 0.00521 1.00000
  Os2 Os 0.15373 0.67398 0.87870 1.00000
  Os3 Os 0.65380 0.33132 0.68731 1.00000
  Os4 Os 0.15435 0.03601 0.45782 1.00000
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