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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208904

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-1208904
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 3
  • Element list: ['Sm', 'N', 'O']
  • Chemical System: N-O-Sm
  • Density: 3.1372781000141163
  • Atomic Density: 0.05757882864136357
  • Unit Cell Volume: 816.2722498706072
  • Molar Volume: 10.45894976000572
  • Full Formula: Sm6 N8 O33
  • Reduced Formula: Sm6N8O33
  • Formula Anonymous: A6B8C33
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -332.11372938
  • Final energy per atom: -7.066249561276596
  • 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.