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  1. Third-Parties
  2. MatprojStructure
  3. mp-1522827

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-1522827
  • 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: 10
  • Number of elements: 5
  • Element list: ['Ca', 'Pr', 'Nb', 'V', 'O']
  • Chemical System: Ca-Nb-O-Pr-V
  • Density: 5.3928025818785965
  • Atomic Density: 0.07717183102966897
  • Unit Cell Volume: 129.58096065072587
  • Molar Volume: 7.803547848546923
  • Full Formula: Ca1 Pr1 Nb1 V1 O6
  • Reduced Formula: CaPrNbVO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -86.10560641999999
  • Final energy per atom: -8.610560642
  • 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.