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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105213

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-1105213
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Er', 'Tl', 'P', 'Se']
  • Chemical System: Er-P-Se-Tl
  • Density: 5.610991305951909
  • Atomic Density: 0.037240520211150444
  • Unit Cell Volume: 537.0494259103197
  • Molar Volume: 16.17093618954568
  • Full Formula: Er2 Tl2 P4 Se12
  • Reduced Formula: ErTl(PSe3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -95.42752537
  • Final energy per atom: -4.7713762685
  • 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.