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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208430

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-1208430
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ta', 'Nb', 'Te', 'S']
  • Chemical System: Nb-S-Ta-Te
  • Density: 10.634744280139003
  • Atomic Density: 0.05225633735238885
  • Unit Cell Volume: 535.8201783485694
  • Molar Volume: 11.524230485940675
  • Full Formula: Ta12 Nb6 Te4 S6
  • Reduced Formula: Ta6Nb3Te2S3
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -259.61344915
  • Final energy per atom: -9.271908898214287
  • 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.