Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-693463

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-693463
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Sc', 'Zn', 'Si', 'O']
  • Chemical System: Ca-Na-O-Sc-Si-Zn
  • Density: 3.5546390989546155
  • Atomic Density: 0.08622313276764804
  • Unit Cell Volume: 927.8252532946352
  • Molar Volume: 6.984367845028684
  • Full Formula: Na2 Ca6 Sc2 Zn6 Si16 O48
  • Reduced Formula: NaCa3ScZn3(SiO3)8
  • Formula Anonymous: ABC3D3E8F24
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -607.53995223
  • Final energy per atom: -7.5942494028750005
  • 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.