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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219870

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-1219870
  • 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: 22
  • Number of elements: 4
  • Element list: ['Pr', 'Sc', 'Nb', 'O']
  • Chemical System: Nb-O-Pr-Sc
  • Density: 5.764532417834426
  • Atomic Density: 0.0718228686767846
  • Unit Cell Volume: 306.30912417330234
  • Molar Volume: 8.384712099290661
  • Full Formula: Pr4 Sc2 Nb2 O14
  • Reduced Formula: Pr2ScNbO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -201.43724698
  • Final energy per atom: -9.15623849909091
  • 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.