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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223862

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-1223862
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'Si', 'As']
  • Chemical System: As-K-Si-Zn
  • Density: 4.124795771159179
  • Atomic Density: 0.04124923010676356
  • Unit Cell Volume: 242.42876713377296
  • Molar Volume: 14.599401599528425
  • Full Formula: K2 Zn3 Si1 As4
  • Reduced Formula: K2Zn3SiAs4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -33.46463235
  • Final energy per atom: -3.3464632350000003
  • 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.