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  1. Third-Parties
  2. MatprojStructure
  3. mp-817963

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-817963
  • 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: 14
  • Number of elements: 4
  • Element list: ['P', 'W', 'O', 'F']
  • Chemical System: F-O-P-W
  • Density: 4.966422195316164
  • Atomic Density: 0.07029972797172242
  • Unit Cell Volume: 199.14728554328696
  • Molar Volume: 8.566378467954195
  • Full Formula: P2 W2 O8 F2
  • Reduced Formula: PWO4F
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -22.54864369
  • Final energy per atom: -1.6106174064285714
  • 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.