Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-571548

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-571548
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Sb
  • Density: 1.6339074188407083
  • Atomic Density: 0.07042524797460471
  • Unit Cell Volume: 1590.3387381807604
  • Molar Volume: 8.551110479826184
  • Full Formula: Sb4 H64 C16 N8 Cl20
  • Reduced Formula: SbH16C4N2Cl5
  • Formula Anonymous: AB2C4D5E16
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -547.56330683
  • Final energy per atom: -4.888958096696428
  • 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.