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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210812

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-1210812
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['Mn', 'Zn', 'H', 'C', 'O']
  • Chemical System: C-H-Mn-O-Zn
  • Density: 3.2448210421391592
  • Atomic Density: 0.09686384482285848
  • Unit Cell Volume: 722.6638600606219
  • Molar Volume: 6.217119267785725
  • Full Formula: Mn8 Zn6 H20 C4 O32
  • Reduced Formula: Mn4Zn3H10(CO8)2
  • Formula Anonymous: A2B3C4D10E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -459.869722
  • Final energy per atom: -6.569567457142857
  • 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.