Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203730

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-1203730
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 118
  • Number of elements: 5
  • Element list: ['In', 'Si', 'H', 'C', 'O']
  • Chemical System: C-H-In-O-Si
  • Density: 1.1010491253375017
  • Atomic Density: 0.08681609471609232
  • Unit Cell Volume: 1359.1949786025955
  • Molar Volume: 6.936663967313574
  • Full Formula: In2 Si8 H78 C28 O2
  • Reduced Formula: InSi4H39C14O
  • Formula Anonymous: ABC4D14E39
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -610.29258554
  • Final energy per atom: -5.171971063898305
  • 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.