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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219381

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-1219381
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Sm', 'Sn', 'Ge', 'S']
  • Chemical System: Ge-S-Sm-Sn
  • Density: 5.044039284863799
  • Atomic Density: 0.04393237009044954
  • Unit Cell Volume: 1024.3016688458279
  • Molar Volume: 13.707752956649959
  • Full Formula: Sm12 Sn1 Ge4 S28
  • Reduced Formula: Sm12Sn(GeS7)4
  • Formula Anonymous: AB4C12D28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -276.45344611
  • Final energy per atom: -6.143409913555556
  • 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.