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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213494

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-1213494
  • 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: 69
  • Number of elements: 3
  • Element list: ['Er', 'N', 'O']
  • Chemical System: Er-N-O
  • Density: 2.380566753224813
  • Atomic Density: 0.06525480086526476
  • Unit Cell Volume: 1057.3934650795757
  • Molar Volume: 9.228655486106303
  • Full Formula: Er3 N21 O45
  • Reduced Formula: ErN7O15
  • Formula Anonymous: AB7C15
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -448.38452681
  • Final energy per atom: -6.4983264755072465
  • 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.