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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234103

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-1234103
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 5
  • Element list: ['Sr', 'Mg', 'P', 'I', 'O']
  • Chemical System: I-Mg-O-P-Sr
  • Density: 3.7242768536827184
  • Atomic Density: 0.045891770627867375
  • Unit Cell Volume: 719.083172179045
  • Molar Volume: 13.122485093968256
  • Full Formula: Sr8 Mg1 P4 I4 O16
  • Reduced Formula: Sr8MgP4(IO4)4
  • Formula Anonymous: AB4C4D8E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -218.34085626
  • Final energy per atom: -6.616389583636364
  • 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.