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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221653

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-1221653
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Mn', 'Nb', 'C', 'S']
  • Chemical System: C-Mn-Nb-S
  • Density: 5.66669462641644
  • Atomic Density: 0.06485017273253704
  • Unit Cell Volume: 169.62175328919378
  • Molar Volume: 9.286237038777438
  • Full Formula: Mn1 Nb4 C2 S4
  • Reduced Formula: MnNb4(CS2)2
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -95.44116831
  • Final energy per atom: -8.676469846363636
  • 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.