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  1. Third-Parties
  2. MatprojStructure
  3. mp-977417

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-977417
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Nd', 'B', 'H', 'F']
  • Chemical System: B-F-H-Nd
  • Density: 3.493819106622395
  • Atomic Density: 0.08254416613843306
  • Unit Cell Volume: 339.21234303877753
  • Molar Volume: 7.2956588475318735
  • Full Formula: Nd2 B4 H2 F20
  • Reduced Formula: NdB2HF10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -174.77334358000002
  • Final energy per atom: -6.241905127857144
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.