Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-695491

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-695491
  • 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: 100
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Fe', 'Si', 'O']
  • Chemical System: Ca-Fe-Na-O-Si
  • Density: 3.475008201646368
  • Atomic Density: 0.08798861374375032
  • Unit Cell Volume: 1136.5106886583133
  • Molar Volume: 6.844227342344898
  • Full Formula: Na6 Ca4 Fe10 Si20 O60
  • Reduced Formula: Na3Ca2Fe5(SiO3)10
  • Formula Anonymous: A2B3C5D10E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -787.37972485
  • Final energy per atom: -7.8737972485
  • 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.