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  1. Third-Parties
  2. MatprojStructure
  3. mp-11778

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-11778
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Th', 'Mn', 'Se']
  • Chemical System: Mn-Se-Th
  • Density: 7.195571660928557
  • Atomic Density: 0.04135939716284649
  • Unit Cell Volume: 241.78302117476431
  • Molar Volume: 14.560513868924913
  • Full Formula: Th2 Mn2 Se6
  • Reduced Formula: ThMnSe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -69.05422854
  • Final energy per atom: -6.905422853999999
  • 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.