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  1. Third-Parties
  2. MatprojStructure
  3. mp-752573

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-752573
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ba', 'Na', 'Si']
  • Chemical System: Ba-Na-Si
  • Density: 2.642582110781582
  • Atomic Density: 0.03767920202412279
  • Unit Cell Volume: 743.1155251662171
  • Molar Volume: 15.982665333901007
  • Full Formula: Ba4 Na8 Si16
  • Reduced Formula: Ba(NaSi2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -108.57844983
  • Final energy per atom: -3.877801779642857
  • 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.