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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202441

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-1202441
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 208
  • Number of elements: 6
  • Element list: ['Cr', 'Ni', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cr-H-N-Ni-O
  • Density: 1.5738193318445821
  • Atomic Density: 0.09387943663216358
  • Unit Cell Volume: 2215.607671517898
  • Molar Volume: 6.4147602244310695
  • Full Formula: Cr4 Ni4 H128 N26 Cl22 O24
  • Reduced Formula: Cr2Ni2H64N13Cl11O12
  • Formula Anonymous: A2B2C11D12E13F64
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1062.50436038
  • Final energy per atom: -5.108194040288462
  • 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.