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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202454

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-1202454
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 85
  • Number of elements: 6
  • Element list: ['Rb', 'Fe', 'Cu', 'H', 'Se', 'O']
  • Chemical System: Cu-Fe-H-O-Rb-Se
  • Density: 3.72107879419642
  • Atomic Density: 0.06519655555269005
  • Unit Cell Volume: 1303.7498573265173
  • Molar Volume: 9.236900184294358
  • Full Formula: Rb4 Fe8 Cu1 H6 Se16 O50
  • Reduced Formula: Rb4Fe8CuH6(Se8O25)2
  • Formula Anonymous: AB4C6D8E16F50
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -523.25547454
  • Final energy per atom: -6.1559467592941175
  • 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.