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  1. Third-Parties
  2. MatprojStructure
  3. mp-14535

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-14535
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 3
  • Element list: ['In', 'P', 'O']
  • Chemical System: In-O-P
  • Density: 3.2391511810819416
  • Atomic Density: 0.07209601542564427
  • Unit Cell Volume: 1081.8905807692627
  • Molar Volume: 8.352945338859806
  • Full Formula: In6 P18 O54
  • Reduced Formula: In(PO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -579.98605229
  • Final energy per atom: -7.4357186191025635
  • 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.