Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221261

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-1221261
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 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: 3.2563730606629857
  • Atomic Density: 0.08544868290429855
  • Unit Cell Volume: 468.11722124259654
  • Molar Volume: 7.047669496257446
  • Full Formula: Na3 Ca1 Sc3 Zn1 Si8 O24
  • Reduced Formula: Na3CaSc3Zn(SiO3)8
  • Formula Anonymous: ABC3D3E8F24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -318.2770845
  • Final energy per atom: -7.9569271125
  • 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.