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  1. Third-Parties
  2. MatprojStructure
  3. mp-637244

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-637244
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Mn', 'Sn', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Mn-O-Sn
  • Density: 2.1265269914336002
  • Atomic Density: 0.05523808469135657
  • Unit Cell Volume: 1810.3451732396434
  • Molar Volume: 10.902153457435718
  • Full Formula: Mn8 Sn4 C40 Cl8 O40
  • Reduced Formula: Mn2SnC10(ClO5)2
  • Formula Anonymous: AB2C2D10E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -757.93256853
  • Final energy per atom: -7.579325685300001
  • 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.