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  1. Third-Parties
  2. MatprojStructure
  3. mp-557319

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-557319
  • 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: 72
  • Number of elements: 5
  • Element list: ['In', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-In-N-O
  • Density: 2.0550093556119884
  • Atomic Density: 0.08610953608565028
  • Unit Cell Volume: 836.1443258547347
  • Molar Volume: 6.993581702739611
  • Full Formula: In3 H24 C12 N3 O30
  • Reduced Formula: InH8C4NO10
  • Formula Anonymous: ABC4D8E10
  • Spacegroup Number: 180
  • Spacegroup Symbol: P6_222
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -470.99158622
  • Final energy per atom: -6.541549808611111
  • 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.