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  1. Third-Parties
  2. MatprojStructure
  3. mp-651406

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-651406
  • 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: 168
  • Number of elements: 5
  • Element list: ['Mn', 'In', 'Fe', 'C', 'O']
  • Chemical System: C-Fe-In-Mn-O
  • Density: 2.310769893636467
  • Atomic Density: 0.06117570455022403
  • Unit Cell Volume: 2746.188233305517
  • Molar Volume: 9.844007199060442
  • Full Formula: Mn8 In8 Fe8 C72 O72
  • Reduced Formula: MnInFe(CO)9
  • Formula Anonymous: ABCD9E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1299.22660883
  • Final energy per atom: -7.7334917192261905
  • 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.