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  1. Third-Parties
  2. MatprojStructure
  3. mp-16679

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-16679
  • 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: 63
  • Number of elements: 3
  • Element list: ['Sm', 'Mo', 'O']
  • Chemical System: Mo-O-Sm
  • Density: 4.52886843332026
  • Atomic Density: 0.06195360883861243
  • Unit Cell Volume: 1016.8899145829163
  • Molar Volume: 9.720403496893173
  • Full Formula: Sm6 Mo12 O45
  • Reduced Formula: Sm2Mo4O15
  • Formula Anonymous: A2B4C15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -538.9083130399999
  • Final energy per atom: -8.554100206984126
  • 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.