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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204074

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-1204074
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Na', 'Au', 'S']
  • Chemical System: Au-Na-S
  • Density: 5.822731714696094
  • Atomic Density: 0.04174088223447458
  • Unit Cell Volume: 1149.951736294541
  • Molar Volume: 14.427440048275264
  • Full Formula: Na16 Au16 S16
  • Reduced Formula: NaAuS
  • Formula Anonymous: ABC
  • Spacegroup Number: 68
  • Spacegroup Symbol: Ccce1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -180.0429639
  • Final energy per atom: -3.75089508125
  • 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.