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  1. Third-Parties
  2. MatprojStructure
  3. mp-686487

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-686487
  • 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: 148
  • Number of elements: 3
  • Element list: ['Th', 'Mo', 'S']
  • Chemical System: Mo-S-Th
  • Density: 6.108939516536903
  • Atomic Density: 0.05349584754594303
  • Unit Cell Volume: 2766.569870173482
  • Molar Volume: 11.257211608486239
  • Full Formula: Th8 Mo60 S80
  • Reduced Formula: Th2(Mo3S4)5
  • Formula Anonymous: A2B15C20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1210.5540236
  • Final energy per atom: -8.179419078378379
  • 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.