K4Eu2U(GeO4)4

Alexandria ALEX

Alex-ID: agm005235267 · Space group: P-1 (#2)

Alexandria Database API

Basic Information

Formula

K4Eu2U(GeO4)4

Alex-ID

agm005235267

Elements

Sites

Space group

P-1 (#2)

Crystal system

triclinic

Volume

461.85

Å³

Cell a

7.0649

Cell b

7.0758

Cell c

10.1112

α angle

99.23

β angle

93.84

γ angle

110.90

Composition

Element Composition (atomic fraction)

Composition Info

Formula

K4Eu2U(GeO4)4

4.00 · 14.8%

2.00 · 7.4%

1.00 · 3.7%

4.00 · 14.8%

16.00 · 59.3%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-2.6166

eV/atom

Corrected total energy

-204.6960

Raw total energy

-193.4594

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0054

DOS at Fermi level

23.5326

Total magnetisation

11.9989

μB

Additional Information

Prototype ID

AB2C4D4E16_13_spg2

Decomposition

K4Eu2U(GeO4)4

Computed at

2022-12-13 02:05:53.360083

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: agm005235267).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005235267
data_agm005235267
_cell_length_a     7.06491
_cell_length_b     7.07577
_cell_length_c     10.11118
_cell_angle_alpha  99.22953
_cell_angle_beta   93.84374
_cell_angle_gamma  110.89622
_cell_volume       461.84618
_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
  K1 K 0.75632 0.03882 0.59838 1.00000
  K2 K 0.24368 0.96118 0.40162 1.00000
  K3 K 0.81057 0.16880 0.96647 1.00000
  K4 K 0.18943 0.83120 0.03353 1.00000
  Eu1 Eu 0.72691 0.47736 0.39610 1.00000
  Eu2 Eu 0.27309 0.52264 0.60390 1.00000
  U1 U 0.50000 0.50000 0.00000 1.00000
  Ge1 Ge 0.23790 0.03644 0.73868 1.00000
  Ge2 Ge 0.76210 0.96356 0.26132 1.00000
  Ge3 Ge 0.82716 0.62329 0.73376 1.00000
  Ge4 Ge 0.17284 0.37671 0.26624 1.00000
  O1 O 0.38572 0.17048 0.89913 1.00000
  O2 O 0.61428 0.82952 0.10087 1.00000
  O3 O 0.18191 0.18791 0.63362 1.00000
  O4 O 0.81809 0.81209 0.36638 1.00000
  O5 O 0.34872 0.87713 0.65184 1.00000
  O6 O 0.65128 0.12287 0.34816 1.00000
  O7 O 0.99608 0.89101 0.79567 1.00000
  O8 O 0.00392 0.10899 0.20433 1.00000
  O9 O 0.62842 0.62095 0.61828 1.00000
  O10 O 0.37158 0.37905 0.38172 1.00000
  O11 O 0.93050 0.47294 0.62870 1.00000
  O12 O 0.06950 0.52706 0.37130 1.00000
  O13 O 0.77056 0.53919 0.88747 1.00000
  O14 O 0.22944 0.46081 0.11253 1.00000
  O15 O 0.64126 0.43095 0.13942 1.00000
  O16 O 0.35874 0.56905 0.86058 1.00000

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