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  1. Third-Parties
  2. MatprojStructure
  3. mp-675749

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-675749
  • 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: 27
  • Number of elements: 3
  • Element list: ['Sm', 'Th', 'O']
  • Chemical System: O-Sm-Th
  • Density: 8.036355752077998
  • Atomic Density: 0.062155377537268554
  • Unit Cell Volume: 434.39523770587215
  • Molar Volume: 9.68884913680897
  • Full Formula: Sm6 Th4 O17
  • Reduced Formula: Sm6Th4O17
  • Formula Anonymous: A4B6C17
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -250.20924562
  • Final energy per atom: -9.267009097037036
  • 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.