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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212031

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-1212031
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 6
  • Element list: ['K', 'Ca', 'Mg', 'H', 'S', 'O']
  • Chemical System: Ca-H-K-Mg-O-S
  • Density: 2.585273496770229
  • Atomic Density: 0.07388682374569264
  • Unit Cell Volume: 365.42374717486774
  • Molar Volume: 8.150493490865577
  • Full Formula: K2 Ca2 Mg1 H2 S4 O16
  • Reduced Formula: K2Ca2MgH2(SO4)4
  • Formula Anonymous: AB2C2D2E4F16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -167.19745096
  • Final energy per atom: -6.192498183703703
  • 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.