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  1. Third-Parties
  2. MatprojStructure
  3. mp-677015

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-677015
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Na', 'Sm', 'Si', 'O', 'F']
  • Chemical System: F-Na-O-Si-Sm
  • Density: 5.676384728919591
  • Atomic Density: 0.07556297189609341
  • Unit Cell Volume: 1111.6555886063923
  • Molar Volume: 7.969698132414698
  • Full Formula: Na3 Sm17 Si12 O50 F2
  • Reduced Formula: Na3Sm17Si12(O25F)2
  • Formula Anonymous: A2B3C12D17E50
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -706.33162768
  • Final energy per atom: -8.408709853333333
  • 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.