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  1. Third-Parties
  2. MatprojStructure
  3. mp-15011

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-15011
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Na', 'B', 'S']
  • Chemical System: B-Na-S
  • Density: 1.9126763103416136
  • Atomic Density: 0.04704713771926844
  • Unit Cell Volume: 510.1266764241569
  • Molar Volume: 12.800227711905194
  • Full Formula: Na6 B6 S12
  • Reduced Formula: NaBS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -122.22747467000002
  • Final energy per atom: -5.092811444583334
  • 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.