Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222381

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-1222381
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Mn', 'In', 'Se', 'S']
  • Chemical System: In-Mn-S-Se
  • Density: 4.57573442249446
  • Atomic Density: 0.04018986603215252
  • Unit Cell Volume: 447.87409805247216
  • Molar Volume: 14.984227006833494
  • Full Formula: Mn4 In4 Se5 S5
  • Reduced Formula: Mn4In4(SeS)5
  • Formula Anonymous: A4B4C5D5
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -99.35180485
  • Final energy per atom: -5.519544713888888
  • 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.