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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194552

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-1194552
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['Sm', 'As', 'Au', 'O']
  • Chemical System: As-Au-O-Sm
  • Density: 7.76103635833865
  • Atomic Density: 0.05076900591327797
  • Unit Cell Volume: 610.608764980611
  • Molar Volume: 11.861844941945158
  • Full Formula: Sm10 As8 Au3 O10
  • Reduced Formula: Sm10As8Au3O10
  • Formula Anonymous: A3B8C10D10
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -219.63638357
  • Final energy per atom: -7.085044631290322
  • 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.