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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245776

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-1245776
  • 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: 48
  • Number of elements: 3
  • Element list: ['Na', 'Bi', 'N']
  • Chemical System: Bi-N-Na
  • Density: 4.8970634110552576
  • Atomic Density: 0.057832080587246065
  • Unit Cell Volume: 829.9891602133648
  • Molar Volume: 10.413149066831405
  • Full Formula: Na24 Bi8 N16
  • Reduced Formula: Na3BiN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -187.53162511
  • Final energy per atom: -3.906908856458333
  • 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.