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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211206

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-1211206
  • Created at: Sept. 4, 2022, 2:40 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: ['Lu', 'N', 'O']
  • Chemical System: Lu-N-O
  • Density: 2.5445487484410605
  • Atomic Density: 0.06870178179566248
  • Unit Cell Volume: 1004.3407637552181
  • Molar Volume: 8.765625290347579
  • Full Formula: Lu3 N21 O45
  • Reduced Formula: LuN7O15
  • Formula Anonymous: AB7C15
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -447.45369769
  • Final energy per atom: -6.484836198405797
  • 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.