Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199592

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-1199592
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Sb', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-N-Sb
  • Density: 1.5896438565317887
  • Atomic Density: 0.03089325365695021
  • Unit Cell Volume: 1488.9982295422985
  • Molar Volume: 19.49338462977068
  • Full Formula: Sb4 C18 N6 Cl18
  • Reduced Formula: Sb2C9(NCl3)3
  • Formula Anonymous: A2B3C9D9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -248.33412436
  • Final energy per atom: -5.398567920869565
  • 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.