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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222050

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-1222050
  • 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: 81
  • Number of elements: 3
  • Element list: ['Na', 'Sn', 'Au']
  • Chemical System: Au-Na-Sn
  • Density: 9.020381107719803
  • Atomic Density: 0.04491754940164206
  • Unit Cell Volume: 1803.3040777829892
  • Molar Volume: 13.407099987026111
  • Full Formula: Na30 Sn12 Au39
  • Reduced Formula: Na10Sn4Au13
  • Formula Anonymous: A4B10C13
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -244.83865449
  • Final energy per atom: -3.0226994381481482
  • 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.