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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216703

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-1216703
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Tl', 'V', 'P', 'Se']
  • Chemical System: P-Se-Tl-V
  • Density: 6.7344460432157405
  • Atomic Density: 0.055620575529751054
  • Unit Cell Volume: 269.684372323271
  • Molar Volume: 10.827181672686574
  • Full Formula: Tl1 V6 P1 Se7
  • Reduced Formula: TlV6PSe7
  • Formula Anonymous: ABC6D7
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -100.3574108
  • Final energy per atom: -6.6904940533333335
  • 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.