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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233763

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-1233763
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Mg', 'Cr', 'S', 'O']
  • Chemical System: Cr-Mg-O-S
  • Density: 2.705519795609178
  • Atomic Density: 0.0732107154777584
  • Unit Cell Volume: 464.41289062841196
  • Molar Volume: 8.225764112125828
  • Full Formula: Mg1 Cr3 S6 O24
  • Reduced Formula: MgCr3(SO4)6
  • Formula Anonymous: AB3C6D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -240.02591133
  • Final energy per atom: -7.059585627352941
  • 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.