Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1204176

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-1204176
  • 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: 66
  • Number of elements: 6
  • Element list: ['In', 'Sb', 'H', 'C', 'S', 'N']
  • Chemical System: C-H-In-N-S-Sb
  • Density: 2.5111613743180157
  • Atomic Density: 0.06318667504977725
  • Unit Cell Volume: 1044.524022636204
  • Molar Volume: 9.530713168964617
  • Full Formula: In4 Sb4 H32 C8 S14 N4
  • Reduced Formula: In2Sb2H16C4S7N2
  • Formula Anonymous: A2B2C2D4E7F16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -327.92815704
  • Final energy per atom: -4.96860844
  • 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.