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  1. Third-Parties
  2. MatprojStructure
  3. mp-542391

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-542391
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Tm', 'Si', 'Ni']
  • Chemical System: Ni-Si-Tm
  • Density: 8.755749703913713
  • Atomic Density: 0.08441324446989949
  • Unit Cell Volume: 308.00853779848745
  • Molar Volume: 7.134118345785662
  • Full Formula: Tm2 Si4 Ni20
  • Reduced Formula: Tm(SiNi5)2
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -157.92310185
  • Final energy per atom: -6.073965455769231
  • 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.