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  1. Third-Parties
  2. MatprojStructure
  3. mp-40373

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-40373
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['In', 'Ga', 'Pt', 'O', 'F']
  • Chemical System: F-Ga-In-O-Pt
  • Density: 6.199594538068987
  • Atomic Density: 0.059855206299602996
  • Unit Cell Volume: 701.6933462691711
  • Molar Volume: 10.061181194258022
  • Full Formula: In14 Ga3 Pt2 O8 F15
  • Reduced Formula: In14Ga3Pt2O8F15
  • Formula Anonymous: A2B3C8D14E15
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -218.58766582
  • Final energy per atom: -5.204468233809524
  • 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.