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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202742

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-1202742
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Nd', 'B', 'O', 'F']
  • Chemical System: B-F-Nd-O
  • Density: 5.951412035325237
  • Atomic Density: 0.09022333619271498
  • Unit Cell Volume: 465.5114937258467
  • Molar Volume: 6.674704144321204
  • Full Formula: Nd8 B8 O22 F4
  • Reduced Formula: Nd4B4O11F2
  • Formula Anonymous: A2B4C4D11
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -356.31400604
  • Final energy per atom: -8.48366681047619
  • 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.