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  1. Third-Parties
  2. MatprojStructure
  3. mp-772826

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-772826
  • 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: 68
  • Number of elements: 5
  • Element list: ['K', 'Li', 'Ti', 'As', 'O']
  • Chemical System: As-K-Li-O-Ti
  • Density: 3.2966627555482275
  • Atomic Density: 0.0687781514624087
  • Unit Cell Volume: 988.6860660563985
  • Molar Volume: 8.755892143003367
  • Full Formula: K8 Li4 Ti8 As8 O40
  • Reduced Formula: K2LiTi2(AsO5)2
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -482.58491009
  • Final energy per atom: -7.096836913088235
  • 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.