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  1. Third-Parties
  2. MatprojStructure
  3. mp-25773

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-25773
  • 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: 42
  • Number of elements: 3
  • Element list: ['Mn', 'Cl', 'O']
  • Chemical System: Cl-Mn-O
  • Density: 3.9324201579758546
  • Atomic Density: 0.07045521807217445
  • Unit Cell Volume: 596.1233411693528
  • Molar Volume: 8.54747302581749
  • Full Formula: Mn16 Cl6 O20
  • Reduced Formula: Mn8Cl3O10
  • Formula Anonymous: A3B8C10
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -337.83570510000004
  • Final energy per atom: -8.043707264285715
  • 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.