Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1188759

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-1188759
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Tm', 'Ga', 'Pd']
  • Chemical System: Ga-Pd-Tm
  • Density: 8.43730885150455
  • Atomic Density: 0.05335827301770874
  • Unit Cell Volume: 318.60101608532153
  • Molar Volume: 11.286236265557827
  • Full Formula: Tm4 Ga12 Pd1
  • Reduced Formula: Tm4Ga12Pd
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -69.27980572
  • Final energy per atom: -4.075282689411765
  • 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.