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  1. Third-Parties
  2. MatprojStructure
  3. mp-15600

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-15600
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Ca', 'S', 'O']
  • Chemical System: Ca-K-O-S
  • Density: 2.5303860622661976
  • Atomic Density: 0.06483813781197156
  • Unit Cell Volume: 1172.1496416260052
  • Molar Volume: 9.287960702178104
  • Full Formula: K8 Ca8 S12 O48
  • Reduced Formula: K2Ca2(SO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -504.45828488000006
  • Final energy per atom: -6.637609011578948
  • 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.