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  1. Third-Parties
  2. MatprojStructure
  3. mp-705485

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-705485
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Sc', 'Zn', 'Si', 'O']
  • Chemical System: Ca-Na-O-Sc-Si-Zn
  • Density: 3.625428056992334
  • Atomic Density: 0.08684587915764445
  • Unit Cell Volume: 690.8790674003858
  • Molar Volume: 6.9342849867044185
  • Full Formula: Na1 Ca5 Sc1 Zn5 Si12 O36
  • Reduced Formula: NaCa5ScZn5(SiO3)12
  • Formula Anonymous: ABC5D5E12F36
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -451.76587696
  • Final energy per atom: -7.529431282666667
  • 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.