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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199771

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-1199771
  • 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: 82
  • Number of elements: 4
  • Element list: ['Ce', 'Nb', 'S', 'O']
  • Chemical System: Ce-Nb-O-S
  • Density: 3.23032396701913
  • Atomic Density: 0.06814220591502884
  • Unit Cell Volume: 1203.3657980232015
  • Molar Volume: 8.837607587152986
  • Full Formula: Ce4 Nb4 S14 O60
  • Reduced Formula: Ce2Nb2S7O30
  • Formula Anonymous: A2B2C7D30
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -608.79352068
  • Final energy per atom: -7.424311227804878
  • 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.