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  1. Third-Parties
  2. MatprojStructure
  3. mp-530464

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-530464
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Ag', 'Sn', 'S']
  • Chemical System: Ag-S-Sn
  • Density: 4.738482724984103
  • Atomic Density: 0.04366139453581143
  • Unit Cell Volume: 1236.790546296197
  • Molar Volume: 13.792827334135175
  • Full Formula: Ag10 Sn12 S32
  • Reduced Formula: Ag5(Sn3S8)2
  • Formula Anonymous: A5B6C16
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -236.36520116
  • Final energy per atom: -4.377133354814815
  • 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.