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  1. Third-Parties
  2. MatprojStructure
  3. mp-704101

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-704101
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 4
  • Element list: ['Mn', 'C', 'S', 'O']
  • Chemical System: C-Mn-O-S
  • Density: 1.882967139007817
  • Atomic Density: 0.05609491197711579
  • Unit Cell Volume: 2709.693172564549
  • Molar Volume: 10.73562743525966
  • Full Formula: Mn16 C60 S16 O60
  • Reduced Formula: Mn4C15S4O15
  • Formula Anonymous: A4B4C15D15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1174.21008829
  • Final energy per atom: -7.725066370328947
  • 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.