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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211981

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-1211981
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['K', 'Si', 'As']
  • Chemical System: As-K-Si
  • Density: 3.1500399291153416
  • Atomic Density: 0.03814490393966913
  • Unit Cell Volume: 734.0430072726216
  • Molar Volume: 15.787536834605111
  • Full Formula: K4 Si12 As12
  • Reduced Formula: K(SiAs)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -132.65855116
  • Final energy per atom: -4.737805398571429
  • 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.