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  1. Third-Parties
  2. MatprojStructure
  3. mp-29198

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-29198
  • 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: 36
  • Number of elements: 3
  • Element list: ['Na', 'Au', 'Se']
  • Chemical System: Au-Na-Se
  • Density: 4.144325860220051
  • Atomic Density: 0.03566985976430765
  • Unit Cell Volume: 1009.2554396870015
  • Molar Volume: 16.88299533497448
  • Full Formula: Na10 Au2 Se24
  • Reduced Formula: Na5AuSe12
  • Formula Anonymous: AB5C12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -133.15076213999998
  • Final energy per atom: -3.6986322816666664
  • 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.