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"created_at": "2022-09-04T14:36:11.321353Z",
"updated_at": "2022-09-04T14:36:11.321362Z",
"structure_string": "Ce4 C2 Br5\n1.0\n3.765906 0.000038 -0.761294\n-0.671613 7.437672 -3.322994\n0.059368 -0.026766 9.988168\nCe C Br\n4 2 5\ndirect\n0.331747 0.331676 0.663454 Ce\n0.668255 0.668323 0.336547 Ce\n1.000003 0.299001 -0.000008 Ce\n-0.000001 0.700999 1.000009 Ce\n0.539629 0.539644 0.079265 C\n0.460373 0.460355 0.920736 C\n0.835174 0.619349 0.670355 Br\n0.500001 0.000000 0.000000 Br\n0.835193 0.050863 0.670323 Br\n0.164809 0.949137 0.329678 Br\n0.164828 0.380651 0.329646 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"C",
"Br"
],
"chemical_system": "Br-C-Ce",
"density": 5.840812079741399,
"density_atomic": 0.03932052787512462,
"volume": 279.7520937392842,
"volume_molar": 15.315513512751673,
"formula_full": "Ce4 C2 Br5",
"formula_reduced": "Ce4C2Br5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 2.112873865909091,
"spacegroup": 71
},
{
"id": "jvasp-29629",
"created_at": "2022-09-04T14:37:06.682678Z",
"updated_at": "2022-09-04T14:37:06.682713Z",
"structure_string": "Pr4 C2 Cl5\n1.0\n3.806652 0.000006 -0.783455\n-0.658313 7.158868 -3.198440\n0.011338 0.007957 9.694097\nPr C Cl\n4 2 5\ndirect\n0.325958 0.325943 0.651859 Pr\n0.674043 0.674059 0.348141 Pr\n0.000002 0.714696 0.000006 Pr\n-0.000000 0.285305 0.999994 Pr\n0.459485 0.459481 0.918954 C\n0.540516 0.540520 0.081047 C\n0.167838 0.390801 0.335731 Cl\n0.832154 0.055093 0.664256 Cl\n0.832163 0.609201 0.664269 Cl\n0.167847 0.944908 0.335744 Cl\n0.500000 0.000000 -0.000000 Cl\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pr",
"C",
"Cl"
],
"chemical_system": "C-Cl-Pr",
"density": 4.80505085745572,
"density_atomic": 0.04161283105985701,
"volume": 264.34154369783937,
"volume_molar": 14.47183622603709,
"formula_full": "Pr4 C2 Cl5",
"formula_reduced": "Pr4C2Cl5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.9728263397727277,
"spacegroup": 71
}
]
}