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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212507

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-1212507
  • 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: 116
  • Number of elements: 5
  • Element list: ['Nd', 'H', 'C', 'O', 'F']
  • Chemical System: C-F-H-Nd-O
  • Density: 2.128296218795441
  • Atomic Density: 0.0856907023358026
  • Unit Cell Volume: 1353.705791153655
  • Molar Volume: 7.027764501684891
  • Full Formula: Nd2 H20 C42 O22 F30
  • Reduced Formula: NdH10C21O11F15
  • Formula Anonymous: AB10C11D15E21
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -774.7364448300001
  • Final energy per atom: -6.678762455431035
  • 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.