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  1. Third-Parties
  2. MatprojStructure
  3. mp-684991

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-684991
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Sc', 'Zn', 'Si', 'O']
  • Chemical System: Ca-Na-O-Sc-Si-Zn
  • Density: 3.400428185754068
  • Atomic Density: 0.08572311004129601
  • Unit Cell Volume: 466.61862805409777
  • Molar Volume: 7.025107648449654
  • Full Formula: Na2 Ca2 Sc2 Zn2 Si8 O24
  • Reduced Formula: NaCaScZn(SiO3)4
  • Formula Anonymous: ABCDE4F12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -311.05566979
  • Final energy per atom: -7.776391744750001
  • 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.