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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228195

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-1228195
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Mo', 'O']
  • Chemical System: Ba-Mo-Nb-O
  • Density: 5.583196718883869
  • Atomic Density: 0.06152237706298793
  • Unit Cell Volume: 520.1359493512045
  • Molar Volume: 9.7885371916537
  • Full Formula: Ba7 Nb4 Mo1 O20
  • Reduced Formula: Ba7Nb4MoO20
  • Formula Anonymous: AB4C7D20
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -264.04954027
  • Final energy per atom: -8.2515481334375
  • 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.