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  1. Third-Parties
  2. MatprojStructure
  3. mp-703326

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-703326
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['In', 'Re', 'H', 'N', 'O']
  • Chemical System: H-In-N-O-Re
  • Density: 4.193326445822916
  • Atomic Density: 0.07144813654856767
  • Unit Cell Volume: 951.7393074874142
  • Molar Volume: 8.428688347814896
  • Full Formula: In2 Re8 H16 N2 O40
  • Reduced Formula: InRe4H8NO20
  • Formula Anonymous: ABC4D8E20
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -476.92528134
  • Final energy per atom: -7.013607078529412
  • 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.