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  1. Third-Parties
  2. MatprojStructure
  3. mp-505687

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-505687
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['P', 'W', 'O']
  • Chemical System: O-P-W
  • Density: 3.9852876973080438
  • Atomic Density: 0.06707960343780357
  • Unit Cell Volume: 596.3064471167921
  • Molar Volume: 8.977603401582046
  • Full Formula: P8 W4 O28
  • Reduced Formula: P2WO7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -333.98661833
  • Final energy per atom: -8.34966545825
  • 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.