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  1. Third-Parties
  2. MatprojStructure
  3. mp-558065

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-558065
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 3
  • Element list: ['In', 'P', 'O']
  • Chemical System: In-O-P
  • Density: 3.7777250385977537
  • Atomic Density: 0.07188343009763051
  • Unit Cell Volume: 1725.0150671940096
  • Molar Volume: 8.377648022389664
  • Full Formula: In16 P24 O84
  • Reduced Formula: In4(P2O7)3
  • Formula Anonymous: A4B6C21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -899.4777862799999
  • Final energy per atom: -7.25385311516129
  • 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.