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  1. Third-Parties
  2. MatprojStructure
  3. mp-863382

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-863382
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Li', 'Nb', 'P', 'O']
  • Chemical System: Li-Nb-O-P
  • Density: 3.2721889165583824
  • Atomic Density: 0.09672854418899783
  • Unit Cell Volume: 951.1153173177223
  • Molar Volume: 6.225815565086294
  • Full Formula: Li16 Nb4 P16 O56
  • Reduced Formula: Li4Nb(P2O7)2
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -681.20214672
  • Final energy per atom: -7.404371159999999
  • 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.