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  1. Third-Parties
  2. MatprojStructure
  3. mp-1172859

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-1172859
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 2
  • Element list: ['P', 'O']
  • Chemical System: O-P
  • Density: 1.8759182678069264
  • Atomic Density: 0.05571141798203425
  • Unit Cell Volume: 502.5899719341088
  • Molar Volume: 10.809526984113045
  • Full Formula: P8 O20
  • Reduced Formula: P2O5
  • Formula Anonymous: A2B5
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -159.95018137
  • Final energy per atom: -5.7125064775
  • 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.