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  1. Third-Parties
  2. MatprojStructure
  3. mp-568557

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-568557
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Rb', 'Ta', 'N']
  • Chemical System: N-Rb-Ta
  • Density: 6.080860648031626
  • Atomic Density: 0.04975024719303717
  • Unit Cell Volume: 1286.4257689348158
  • Molar Volume: 12.104745402838587
  • Full Formula: Rb16 Ta16 N32
  • Reduced Formula: RbTaN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -541.7883321200001
  • Final energy per atom: -8.465442689375001
  • 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.