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  1. Third-Parties
  2. MatprojStructure
  3. mp-39419

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-39419
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Nd', 'Ti', 'Cd', 'Sb', 'O']
  • Chemical System: Cd-Nd-O-Sb-Ti
  • Density: 6.29850644031926
  • Atomic Density: 0.07751331494361217
  • Unit Cell Volume: 567.6444109248615
  • Molar Volume: 7.769169418674541
  • Full Formula: Nd4 Ti4 Cd4 Sb4 O28
  • Reduced Formula: NdTiCdSbO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 91
  • Spacegroup Symbol: P4_122
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -331.55920003
  • Final energy per atom: -7.535436364318182
  • 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.