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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222190

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-1222190
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Mg', 'Nb', 'Bi', 'O']
  • Chemical System: Bi-Mg-Nb-O
  • Density: 6.7367759518234935
  • Atomic Density: 0.07575020944991659
  • Unit Cell Volume: 290.42823986573444
  • Molar Volume: 7.949998823411346
  • Full Formula: Mg2 Nb3 Bi3 O14
  • Reduced Formula: Mg2Nb3Bi3O14
  • Formula Anonymous: A2B3C3D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -170.78382448
  • Final energy per atom: -7.762901112727272
  • 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.