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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200450

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-1200450
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['K', 'As', 'O']
  • Chemical System: As-K-O
  • Density: 2.074097916640885
  • Atomic Density: 0.04509906285913092
  • Unit Cell Volume: 1419.0982238346517
  • Molar Volume: 13.35313946280978
  • Full Formula: K12 As8 O44
  • Reduced Formula: K3As2O11
  • Formula Anonymous: A2B3C11
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -326.76755511
  • Final energy per atom: -5.10574304859375
  • 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.