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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219392

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-1219392
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Sc', 'Nb', 'B', 'Ru']
  • Chemical System: B-Nb-Ru-Sc
  • Density: 8.797933137583643
  • Atomic Density: 0.07220616974590555
  • Unit Cell Volume: 276.98464092999615
  • Molar Volume: 8.34020248019247
  • Full Formula: Sc3 Nb3 B4 Ru10
  • Reduced Formula: Sc3Nb3(B2Ru5)2
  • Formula Anonymous: A3B3C4D10
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -179.52292215
  • Final energy per atom: -8.9761461075
  • 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.