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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217454

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-1217454
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Th', 'Mn', 'C']
  • Chemical System: C-Mn-Th
  • Density: 8.85236329009542
  • Atomic Density: 0.0787256589558825
  • Unit Cell Volume: 266.74911685106764
  • Molar Volume: 7.64952728229913
  • Full Formula: Th2 Mn17 C2
  • Reduced Formula: Th2Mn17C2
  • Formula Anonymous: A2B2C17
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -190.37157203
  • Final energy per atom: -9.065312953809524
  • 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.