Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-560328

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-560328
  • 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: 76
  • Number of elements: 4
  • Element list: ['Ag', 'P', 'S', 'Cl']
  • Chemical System: Ag-Cl-P-S
  • Density: 4.58713063268096
  • Atomic Density: 0.04445507064472103
  • Unit Cell Volume: 1709.5912546710772
  • Molar Volume: 13.546577865387151
  • Full Formula: Ag30 P8 S32 Cl6
  • Reduced Formula: Ag15P4S16Cl3
  • Formula Anonymous: A3B4C15D16
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -308.72831051
  • Final energy per atom: -4.062214611973684
  • 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.