Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-30673

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-30673
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Ti', 'Ga']
  • Chemical System: Ga-Ti
  • Density: 6.38299059805485
  • Atomic Density: 0.06303524049374175
  • Unit Cell Volume: 158.64141901691988
  • Molar Volume: 9.553609556860323
  • Full Formula: Ti4 Ga6
  • Reduced Formula: Ti2Ga3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -54.34448011
  • Final energy per atom: -5.434448011
  • 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.