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  1. Third-Parties
  2. MatprojStructure
  3. mp-622093

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-622093
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['K', 'Yb', 'S', 'O']
  • Chemical System: K-O-S-Yb
  • Density: 2.829443627964359
  • Atomic Density: 0.055960958543808635
  • Unit Cell Volume: 679.0448374870487
  • Molar Volume: 10.761325246574556
  • Full Formula: K6 Yb2 S6 O24
  • Reduced Formula: K3Yb(SO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -231.97169049
  • Final energy per atom: -6.104518170789473
  • 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.