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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234139

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-1234139
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['K', 'Nd', 'Mg', 'S', 'O']
  • Chemical System: K-Mg-Nd-O-S
  • Density: 2.9178635006439713
  • Atomic Density: 0.056665920846738216
  • Unit Cell Volume: 441.1822772211958
  • Molar Volume: 10.627447096973532
  • Full Formula: K2 Nd2 Mg1 S4 O16
  • Reduced Formula: K2Nd2Mg(SO4)4
  • Formula Anonymous: AB2C2D4E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -167.81238220999998
  • Final energy per atom: -6.7124952883999995
  • 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.