Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226303

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-1226303
  • 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: 14
  • Number of elements: 4
  • Element list: ['Cr', 'Ag', 'Sn', 'Se']
  • Chemical System: Ag-Cr-Se-Sn
  • Density: 5.733751722259656
  • Atomic Density: 0.04066292142768252
  • Unit Cell Volume: 344.2940031964618
  • Molar Volume: 14.809906786235592
  • Full Formula: Cr2 Ag2 Sn2 Se8
  • Reduced Formula: CrAgSnSe4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -70.22822054
  • Final energy per atom: -5.016301467142857
  • 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.