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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220974

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-1220974
  • 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: 42
  • Number of elements: 5
  • Element list: ['Na', 'Sm', 'Si', 'S', 'O']
  • Chemical System: Na-O-S-Si-Sm
  • Density: 5.766685992580091
  • Atomic Density: 0.07318971599595388
  • Unit Cell Volume: 573.851113212707
  • Molar Volume: 8.228124235832423
  • Full Formula: Na1 Sm9 Si6 S2 O24
  • Reduced Formula: NaSm9Si6(SO12)2
  • Formula Anonymous: AB2C6D9E24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -351.82261265
  • Final energy per atom: -8.376728872619047
  • 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.