Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221470

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-1221470
  • 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', 'Mg', 'Si', 'O', 'F']
  • Chemical System: Ca-F-Mg-Na-O-Si
  • Density: 2.9013717723964567
  • Atomic Density: 0.08499831504365495
  • Unit Cell Volume: 470.5975639570748
  • Molar Volume: 7.085011928656518
  • Full Formula: Na2 Ca1 Mg5 Si8 O22 F2
  • Reduced Formula: Na2CaMg5Si8(O11F)2
  • Formula Anonymous: AB2C2D5E8F22
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -298.9989875
  • Final energy per atom: -7.4749746875
  • 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.