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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246382

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-1246382
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Y', 'Mg', 'Mn', 'S']
  • Chemical System: Mg-Mn-S-Y
  • Density: 3.1739334271863826
  • Atomic Density: 0.047883017148488125
  • Unit Cell Volume: 292.37923660042463
  • Molar Volume: 12.57677798649358
  • Full Formula: Y1 Mg2 Mn3 S8
  • Reduced Formula: YMg2Mn3S8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -88.19939773
  • Final energy per atom: -6.299956980714286
  • 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.