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  1. Third-Parties
  2. MatprojStructure
  3. mp-562076

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-562076
  • 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: 60
  • Number of elements: 4
  • Element list: ['Nb', 'Co', 'P', 'O']
  • Chemical System: Co-Nb-O-P
  • Density: 3.0316124233613864
  • Atomic Density: 0.07144809577182094
  • Unit Cell Volume: 839.7704564669999
  • Molar Volume: 8.428693158222877
  • Full Formula: Nb4 Co2 P12 O42
  • Reduced Formula: Nb2Co(P2O7)3
  • Formula Anonymous: AB2C6D21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -486.6461542
  • Final energy per atom: -8.110769236666666
  • 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.