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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217955

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-1217955
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 145
  • Number of elements: 3
  • Element list: ['Ta', 'Co', 'B']
  • Chemical System: B-Co-Ta
  • Density: 9.654124045219035
  • Atomic Density: 0.09983742716700038
  • Unit Cell Volume: 1452.3611446582568
  • Molar Volume: 6.031947067232238
  • Full Formula: Ta11 Co104 B30
  • Reduced Formula: Ta11(Co52B15)2
  • Formula Anonymous: A11B30C104
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -1111.30540572
  • Final energy per atom: -7.6641752118620685
  • 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.