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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217386

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-1217386
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Th', 'Sb', 'As']
  • Chemical System: As-Sb-Th
  • Density: 9.355551125538511
  • Atomic Density: 0.03619929405912731
  • Unit Cell Volume: 386.74787351191543
  • Molar Volume: 16.63607237799593
  • Full Formula: Th6 Sb4 As4
  • Reduced Formula: Th3(SbAs)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -95.72749841
  • Final energy per atom: -6.837678457857143
  • 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.