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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216601

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-1216601
  • 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: 19
  • Number of elements: 3
  • Element list: ['V', 'P', 'S']
  • Chemical System: P-S-V
  • Density: 2.6915906031859325
  • Atomic Density: 0.04655688929349502
  • Unit Cell Volume: 408.1028670155311
  • Molar Volume: 12.935015314353102
  • Full Formula: V3 P4 S12
  • Reduced Formula: V3(PS3)4
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -112.77809287
  • Final energy per atom: -5.935689098421053
  • 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.