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  1. Third-Parties
  2. MatprojStructure
  3. mp-720704

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-720704
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Sc', 'Zn', 'Si', 'O']
  • Chemical System: Ca-Na-O-Sc-Si-Zn
  • Density: 3.6765706032484107
  • Atomic Density: 0.08720284487186705
  • Unit Cell Volume: 1146.7515784254133
  • Molar Volume: 6.905899422030018
  • Full Formula: Na1 Ca9 Sc1 Zn9 Si20 O60
  • Reduced Formula: NaCa9ScZn9(SiO3)20
  • Formula Anonymous: ABC9D9E20F60
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -748.2145487700001
  • Final energy per atom: -7.4821454877
  • 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.