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UGeOs2

Alexandria ALEX

Alex-ID: agm005774191 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
UGeOs2
Alex-ID
agm005774191
Elements
3
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
140.84
ų
Cell a
4.7423
Å
Cell b
4.2965
Å
Cell c
6.9994
Å
α angle
90.00
°
β angle
99.04
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
UGeOs2
U
2.00 · 25.0%
Ge
2.00 · 25.0%
Os
4.00 · 50.0%

Energy & Stability

Energy above hull
0.3068
eV/atom
Formation energy
0.0083
eV/atom
Corrected total energy
-76.6640
eV
Raw total energy
-76.6640
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0282
eV
DOS at Fermi level
7.7945
Total magnetisation
-0.0011
μB

Additional Information

Prototype ID

ABC2_525_spg11

Decomposition

U4Ge6Os7 U2Os UOs3

Computed at

2023-07-14 16:01:00.215429

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: agm005774191).

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 agm005774191
data_agm005774191
_cell_length_a     4.74227
_cell_length_b     4.29653
_cell_length_c     6.99940
_cell_angle_alpha  90.00000
_cell_angle_beta   99.03975
_cell_angle_gamma  90.00000
_cell_volume       140.84356
_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
  U1 U 0.81112 0.25000 0.78274 1.00000
  U2 U 0.18888 0.75000 0.21726 1.00000
  Ge1 Ge 0.28407 0.75000 0.71196 1.00000
  Ge2 Ge 0.71593 0.25000 0.28804 1.00000
  Os1 Os 0.25588 0.25000 0.49799 1.00000
  Os2 Os 0.74412 0.75000 0.50201 1.00000
  Os3 Os 0.33470 0.25000 0.92445 1.00000
  Os4 Os 0.66530 0.75000 0.07555 1.00000
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