Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-677416

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-677416
  • 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: 146
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'In', 'S', 'O']
  • Chemical System: In-Mg-Na-O-S
  • Density: 2.8829176344266214
  • Atomic Density: 0.07310335301288567
  • Unit Cell Volume: 1997.1724138872958
  • Molar Volume: 8.237844793437175
  • Full Formula: Na10 Mg10 In6 S24 O96
  • Reduced Formula: Na5Mg5In3(SO4)12
  • Formula Anonymous: A3B5C5D12E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -942.03683365
  • Final energy per atom: -6.452307079794521
  • 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.