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  1. Third-Parties
  2. MatprojStructure
  3. mp-677611

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-677611
  • 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: 20
  • Number of elements: 5
  • Element list: ['Tl', 'Ag', 'As', 'Pb', 'S']
  • Chemical System: Ag-As-Pb-S-Tl
  • Density: 5.429670583627168
  • Atomic Density: 0.03941352953206628
  • Unit Cell Volume: 507.4399638258301
  • Molar Volume: 15.279374447042283
  • Full Formula: Tl2 Ag2 As4 Pb2 S10
  • Reduced Formula: TlAgAs2PbS5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -88.07146653000001
  • Final energy per atom: -4.4035733265
  • 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.