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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227954

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-1227954
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Ca', 'Mn', 'Fe', 'Si', 'Sb', 'O']
  • Chemical System: Ca-Fe-Mn-O-Sb-Si
  • Density: 4.4148163947771275
  • Atomic Density: 0.08393052022612615
  • Unit Cell Volume: 905.5108891883466
  • Molar Volume: 7.175150045269717
  • Full Formula: Ca1 Mn25 Fe1 Si4 Sb1 O44
  • Reduced Formula: CaMn25FeSi4SbO44
  • Formula Anonymous: ABCD4E25F44
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -652.47196743
  • Final energy per atom: -8.58515746618421
  • 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.