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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222586

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-1222586
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Na', 'In', 'Bi']
  • Chemical System: Bi-In-Na
  • Density: 5.749211359490766
  • Atomic Density: 0.02992615479354768
  • Unit Cell Volume: 1069.298752905584
  • Molar Volume: 20.123336264030893
  • Full Formula: Na12 In8 Bi12
  • Reduced Formula: Na3In2Bi3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -90.0310302
  • Final energy per atom: -2.81346969375
  • 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.