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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221182

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-1221182
  • 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: 56
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Nb', 'Bi', 'O']
  • Chemical System: Bi-Ca-Na-Nb-O
  • Density: 6.978805972839081
  • Atomic Density: 0.071250077376227
  • Unit Cell Volume: 785.9640587377766
  • Molar Volume: 8.452118203606782
  • Full Formula: Na1 Ca2 Nb8 Bi9 O36
  • Reduced Formula: NaCa2Nb8(BiO4)9
  • Formula Anonymous: AB2C8D9E36
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -442.49005307
  • Final energy per atom: -7.9016080905357144
  • 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.