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  1. Third-Parties
  2. MatprojStructure
  3. mp-558997

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-558997
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Sm', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Mo-O-Sm
  • Density: 4.374695371072554
  • Atomic Density: 0.05333764256974982
  • Unit Cell Volume: 262.47879219056506
  • Molar Volume: 11.290601664902654
  • Full Formula: Sm2 Mo2 Cl2 O8
  • Reduced Formula: SmMoClO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -111.94673401
  • Final energy per atom: -7.996195286428572
  • 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.