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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227683

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-1227683
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ga', 'Fe', 'O']
  • Chemical System: Ca-Fe-Ga-La-O
  • Density: 4.977791203225287
  • Atomic Density: 0.07941372119633767
  • Unit Cell Volume: 352.5839058816359
  • Molar Volume: 7.5832496818921555
  • Full Formula: Ca4 La2 Ga2 Fe4 O16
  • Reduced Formula: Ca2LaGa(FeO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -211.84557453
  • Final energy per atom: -7.565913376071428
  • 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.