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  1. Third-Parties
  2. MatprojStructure
  3. mp-18292

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-18292
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['La', 'Mn', 'S', 'O']
  • Chemical System: La-Mn-O-S
  • Density: 5.0596690136963485
  • Atomic Density: 0.044647508332732906
  • Unit Cell Volume: 537.5439950901946
  • Molar Volume: 13.488190013024587
  • Full Formula: La8 Mn2 S12 O2
  • Reduced Formula: La4MnS6O
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -176.41848146
  • Final energy per atom: -7.350770060833334
  • 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.