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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214233

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-1214233
  • 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: 80
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'Sb', 'O']
  • Chemical System: Ca-Fe-O-Sb
  • Density: 4.574063135251471
  • Atomic Density: 0.07616851980826965
  • Unit Cell Volume: 1050.3026736160148
  • Molar Volume: 7.906338176399974
  • Full Formula: Ca12 Fe12 Sb8 O48
  • Reduced Formula: Ca3Fe3(SbO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -583.24025836
  • Final energy per atom: -7.2905032295
  • 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.