Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-782105

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-782105
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 188
  • Number of elements: 5
  • Element list: ['Na', 'Sb', 'H', 'S', 'N']
  • Chemical System: H-N-Na-S-Sb
  • Density: 1.4480715610920765
  • Atomic Density: 0.08964055455125781
  • Unit Cell Volume: 2097.2650263168416
  • Molar Volume: 6.718098510375066
  • Full Formula: Na12 Sb4 H120 S12 N40
  • Reduced Formula: Na3SbH30S3N10
  • Formula Anonymous: AB3C3D10E30
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -920.25522889
  • Final energy per atom: -4.89497462175532
  • 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.