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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225631

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-1225631
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['In', 'H', 'C', 'O']
  • Chemical System: C-H-In-O
  • Density: 2.8047280875479994
  • Atomic Density: 0.09004011792118634
  • Unit Cell Volume: 866.2805180716749
  • Molar Volume: 6.688286176247885
  • Full Formula: In6 H22 C12 O38
  • Reduced Formula: In3H11C6O19
  • Formula Anonymous: A3B6C11D19
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -500.82450967
  • Final energy per atom: -6.420827047051282
  • 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.