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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199036

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-1199036
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Nd', 'Ti', 'Cr', 'O']
  • Chemical System: Cr-Nd-O-Ti
  • Density: 5.483658712867699
  • Atomic Density: 0.08151348518902377
  • Unit Cell Volume: 392.57308070921465
  • Molar Volume: 7.38790734568041
  • Full Formula: Nd4 Ti4 Cr4 O20
  • Reduced Formula: NdTiCrO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -292.10838296
  • Final energy per atom: -9.1283869675
  • 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.