Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223011

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-1223011
  • 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: 14
  • Number of elements: 4
  • Element list: ['Mn', 'Ag', 'Sn', 'S']
  • Chemical System: Ag-Mn-S-Sn
  • Density: 4.049151496115164
  • Atomic Density: 0.03864761649071724
  • Unit Cell Volume: 362.2474364845412
  • Molar Volume: 15.58217894613619
  • Full Formula: Mn1 Ag2 Sn3 S8
  • Reduced Formula: MnAg2Sn3S8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -65.13827775
  • Final energy per atom: -4.652734125
  • 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.