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  1. Third-Parties
  2. MatprojStructure
  3. mp-780676

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-780676
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 3
  • Element list: ['Na', 'Cr', 'O']
  • Chemical System: Cr-Na-O
  • Density: 2.647383001845759
  • Atomic Density: 0.06557231810385851
  • Unit Cell Volume: 1159.0256711624152
  • Molar Volume: 9.183968073938864
  • Full Formula: Na8 Cr16 O52
  • Reduced Formula: Na2Cr4O13
  • Formula Anonymous: A2B4C13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -550.20878207
  • Final energy per atom: -7.239589237763158
  • 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.