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  1. Third-Parties
  2. MatprojStructure
  3. mp-648164

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-648164
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Mn', 'Hg', 'C', 'O']
  • Chemical System: C-Hg-Mn-O
  • Density: 2.5588848615335857
  • Atomic Density: 0.06001505960865775
  • Unit Cell Volume: 383.2371433099773
  • Molar Volume: 10.034382702056416
  • Full Formula: Mn2 Hg1 C10 O10
  • Reduced Formula: Mn2Hg(CO)10
  • Formula Anonymous: AB2C10D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -177.99786041
  • Final energy per atom: -7.739037409130434
  • 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.