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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195727

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-1195727
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'U', 'Si', 'O']
  • Chemical System: Ca-K-O-Si-U
  • Density: 3.351465136137705
  • Atomic Density: 0.06283999637440443
  • Unit Cell Volume: 763.8447289845968
  • Molar Volume: 9.583292659852695
  • Full Formula: K8 Ca2 U2 Si8 O28
  • Reduced Formula: K4CaU(Si2O7)2
  • Formula Anonymous: ABC4D4E14
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -367.76252634
  • Final energy per atom: -7.6617192987500005
  • 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.