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  1. Third-Parties
  2. MatprojStructure
  3. mp-645592

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-645592
  • 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: 46
  • Number of elements: 3
  • Element list: ['Nb', 'Bi', 'O']
  • Chemical System: Bi-Nb-O
  • Density: 7.588278025304863
  • Atomic Density: 0.0672191380807798
  • Unit Cell Volume: 684.3289175282201
  • Molar Volume: 8.958967538029073
  • Full Formula: Nb6 Bi10 O30
  • Reduced Formula: Nb3(BiO3)5
  • Formula Anonymous: A3B5C15
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -354.22593806000003
  • Final energy per atom: -7.700563870869566
  • 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.