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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209945

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-1209945
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Nd', 'Re', 'O']
  • Chemical System: Nd-O-Re
  • Density: 8.960203138524756
  • Atomic Density: 0.07831196219205025
  • Unit Cell Volume: 370.3137961079451
  • Molar Volume: 7.689937260455123
  • Full Formula: Nd4 Re6 O19
  • Reduced Formula: Nd4Re6O19
  • Formula Anonymous: A4B6C19
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -263.66499778
  • Final energy per atom: -9.091896475172415
  • 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.