Eu(NbH2)7

Alexandria ALEX

Alex-ID: agm091914331 · Space group: P1 (#1)

Alexandria Database API

Basic Information

Formula

Eu(NbH2)7

Alex-ID

agm091914331

Elements

Sites

Space group

P1 (#1)

Crystal system

triclinic

Volume

193.55

Å³

Cell a

6.4574

Cell b

7.0126

Cell c

7.0080

α angle

89.46

β angle

124.30

γ angle

124.22

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Eu(NbH2)7

1.00 · 4.5%

7.00 · 31.8%

14.00 · 63.6%

Energy & Stability

Energy above hull

0.1513

eV/atom

Formation energy

-0.2206

eV/atom

Corrected total energy

-130.9713

Raw total energy

-130.9713

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0047

DOS at Fermi level

9.0832

Total magnetisation

6.5028

μB

Additional Information

Prototype ID

AB7C14_5_spg1

Decomposition

NbH NbH2 EuH2

Computed at

2025-05-26 18:28:31

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: agm091914331).

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 agm091914331
data_agm091914331
_cell_length_a     6.45742
_cell_length_b     7.01263
_cell_length_c     7.00800
_cell_angle_alpha  89.46462
_cell_angle_beta   124.30003
_cell_angle_gamma  124.22294
_cell_volume       193.54588
_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
  Eu1 Eu 0.99807 0.49619 0.49380 1.00000
  Nb1 Nb 0.46226 0.46662 0.98381 1.00000
  Nb2 Nb 0.52972 0.50854 0.52512 1.00000
  Nb3 Nb 0.53089 0.01445 0.52933 1.00000
  Nb4 Nb 0.47508 0.98979 0.98662 1.00000
  Nb5 Nb 0.05430 0.52004 0.03058 1.00000
  Nb6 Nb 0.94540 0.96873 0.46991 1.00000
  Nb7 Nb 0.00392 0.99799 0.02612 1.00000
  H1 H 0.71738 0.36148 0.05247 1.00000
  H2 H 0.29560 0.63982 0.91812 1.00000
  H3 H 0.69715 0.60841 0.35198 1.00000
  H4 H 0.27743 0.35128 0.63256 1.00000
  H5 H 0.73290 0.36428 0.65130 1.00000
  H6 H 0.31447 0.65437 0.39584 1.00000
  H7 H 0.69127 0.07270 0.34541 1.00000
  H8 H 0.27929 0.94504 0.63642 1.00000
  H9 H 0.43134 0.20745 0.11615 1.00000
  H10 H 0.56199 0.88192 0.79187 1.00000
  H11 H 0.01317 0.75751 0.88461 1.00000
  H12 H 0.02703 0.25687 0.18483 1.00000
  H13 H 0.97867 0.11258 0.74669 1.00000
  H14 H 0.98266 0.82395 0.24645 1.00000

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