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  1. Third-Parties
  2. MatprojStructure
  3. mp-685779

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-685779
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 89
  • Number of elements: 3
  • Element list: ['Sn', 'Mo', 'S']
  • Chemical System: Mo-S-Sn
  • Density: 5.475405225609623
  • Atomic Density: 0.052531112068661054
  • Unit Cell Volume: 1694.2340737746442
  • Molar Volume: 11.463950643437228
  • Full Formula: Sn5 Mo36 S48
  • Reduced Formula: Sn5(Mo3S4)12
  • Formula Anonymous: A5B36C48
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -690.39979002
  • Final energy per atom: -7.757301011460673
  • 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.