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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210576

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-1210576
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Nd', 'Sc', 'Fe', 'O']
  • Chemical System: Fe-Nd-O-Sc
  • Density: 5.478716398601332
  • Atomic Density: 0.07480137618216548
  • Unit Cell Volume: 1069.4990397659824
  • Molar Volume: 8.050842200194479
  • Full Formula: Nd12 Sc8 Fe12 O48
  • Reduced Formula: Nd3Sc2(FeO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -694.5483778400001
  • Final energy per atom: -8.681854723
  • 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.