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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212175

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-1212175
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Mn', 'Si', 'Cl', 'O']
  • Chemical System: Cl-Mn-O-Si
  • Density: 3.0765858157183517
  • Atomic Density: 0.07032687621046506
  • Unit Cell Volume: 1109.1065635642883
  • Molar Volume: 8.563071594389784
  • Full Formula: Mn16 Si12 Cl2 O48
  • Reduced Formula: Mn8Si6ClO24
  • Formula Anonymous: AB6C8D24
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -643.4317019800001
  • Final energy per atom: -8.249124384358975
  • 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.