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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227376

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-1227376
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'P', 'Pt']
  • Chemical System: Al-Ca-P-Pt
  • Density: 11.689257890746918
  • Atomic Density: 0.05845038734864692
  • Unit Cell Volume: 222.4108443021454
  • Molar Volume: 10.302995468753567
  • Full Formula: Ca2 Al1 P3 Pt7
  • Reduced Formula: Ca2AlP3Pt7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -78.34395618
  • Final energy per atom: -6.026458167692308
  • 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.