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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215263

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-1215263
  • 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: 8
  • Number of elements: 4
  • Element list: ['Zr', 'B', 'Mo', 'C']
  • Chemical System: B-C-Mo-Zr
  • Density: 7.903293861269584
  • Atomic Density: 0.08965605877011104
  • Unit Cell Volume: 89.22988707894204
  • Molar Volume: 6.716936749853677
  • Full Formula: Zr1 B2 Mo3 C2
  • Reduced Formula: ZrB2Mo3C2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -76.32092158
  • Final energy per atom: -9.5401151975
  • 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.