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  1. Third-Parties
  2. MatprojStructure
  3. mp-1045293

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-1045293
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Sb', 'O']
  • Chemical System: Ca-O-Sb
  • Density: 5.368085890739671
  • Atomic Density: 0.07664663117073997
  • Unit Cell Volume: 234.8439810733853
  • Molar Volume: 7.85701950368168
  • Full Formula: Ca2 Sb4 O12
  • Reduced Formula: Ca(SbO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -119.39936957
  • Final energy per atom: -6.633298309444445
  • 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.