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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173606

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-1173606
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 6
  • Element list: ['Rb', 'Ti', 'Cr', 'Ni', 'P', 'O']
  • Chemical System: Cr-Ni-O-P-Rb-Ti
  • Density: 3.3166505806732887
  • Atomic Density: 0.07033533723063055
  • Unit Cell Volume: 1251.1491870927805
  • Molar Volume: 8.562041495945794
  • Full Formula: Rb8 Ti3 Cr2 Ni3 P16 O56
  • Reduced Formula: Rb8Ti3Cr2Ni3(P2O7)8
  • Formula Anonymous: A2B3C3D8E16F56
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -670.25530356
  • Final energy per atom: -7.616537540454545
  • 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.