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  1. Third-Parties
  2. MatprojStructure
  3. mp-17449

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-17449
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Tc', 'P']
  • Chemical System: P-Tc
  • Density: 9.713075173000158
  • Atomic Density: 0.0719978198418153
  • Unit Cell Volume: 222.22895130926491
  • Molar Volume: 8.364337660822372
  • Full Formula: Tc12 P4
  • Reduced Formula: Tc3P
  • Formula Anonymous: AB3
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -151.51841617
  • Final energy per atom: -9.469901010625
  • 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.