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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217462

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-1217462
  • 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: 54
  • Number of elements: 4
  • Element list: ['Th', 'Sc', 'B', 'Rh']
  • Chemical System: B-Rh-Sc-Th
  • Density: 8.821909982331881
  • Atomic Density: 0.085050841047351
  • Unit Cell Volume: 634.9143563428863
  • Molar Volume: 7.0806363415586295
  • Full Formula: Th2 Sc4 B24 Rh24
  • Reduced Formula: ThSc2(BRh)12
  • Formula Anonymous: AB2C12D12
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -406.62988152
  • Final energy per atom: -7.530182991111111
  • 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.