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"energy_uncorrected": -67.30233021,
"band_gap": 0.0,
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"total_magnetization": 0.0091131,
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"updated_at": "2021-11-28T01:35:06.751000Z",
"spacegroup": 22
},
{
"id": "mp-1218337",
"created_at": "2022-09-04T14:40:39.787387Z",
"structure_string": "Sr4 Gd8 Be4 O20\n1.0\n6.552379 0.000000 0.000000\n0.000000 7.186351 0.000000\n0.000000 0.000000 9.544332\nSr Gd Be O\n4 8 4 20\ndirect\n0.583624 0.982047 0.675698 Sr\n0.416376 0.482047 0.324302 Sr\n0.083624 0.482047 0.824302 Sr\n0.916376 0.982047 0.175698 Sr\n0.093761 0.746832 0.520985 Gd\n0.406239 0.746832 0.020985 Gd\n0.906239 0.246832 0.479015 Gd\n0.593761 0.246832 0.979015 Gd\n0.928734 0.525651 0.174872 Gd\n0.071266 0.025651 0.825128 Gd\n0.428734 0.025651 0.325128 Gd\n0.571266 0.525651 0.674872 Gd\n0.692889 0.748887 0.399458 Be\n0.807111 0.748887 0.899458 Be\n0.307111 0.248887 0.600542 Be\n0.192889 0.248887 0.100542 Be\n0.019120 0.747844 0.991626 O\n0.480880 0.747844 0.491626 O\n0.980880 0.247844 0.008374 O\n0.519120 0.247844 0.508374 O\n0.632700 0.750557 0.224728 O\n0.867300 0.750557 0.724728 O\n0.367300 0.250557 0.775272 O\n0.132700 0.250557 0.275272 O\n0.319458 0.056500 0.072191 O\n0.194673 0.443871 0.566429 O\n0.680542 0.556500 0.927809 O\n0.805327 0.943871 0.433571 O\n0.694673 0.943871 0.933571 O\n0.819458 0.556500 0.427809 O\n0.305327 0.443871 0.066429 O\n0.180542 0.056500 0.572191 O\n0.161731 0.747811 0.281175 O\n0.338269 0.747811 0.781175 O\n0.838269 0.247811 0.718825 O\n0.661731 0.247811 0.218825 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Gd",
"Be",
"O"
],
"chemical_system": "Be-Gd-O-Sr",
"density": 7.258583139519357,
"density_atomic": 0.08010313762929457,
"volume": 449.42059781231865,
"volume_molar": 7.517983612414254,
"formula_full": "Sr4 Gd8 Be4 O20",
"formula_reduced": "SrGd2BeO5",
"formula_anonymous": "ABC2D5",
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"energy_per_atom": -9.97679804388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -345.4247295800001,
"band_gap": 2.2259,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.238000Z",
"spacegroup": 33
},
{
"id": "mp-1097279",
"created_at": "2022-09-04T14:40:39.797878Z",
"structure_string": "Li2 Pt1 Pb1\n1.0\n-4.875768 5.278675 6.657979\n4.875768 -5.278675 6.657979\n4.875768 5.278675 -6.657979\nLi Pt Pb\n2 1 1\ndirect\n0.771306 0.000000 0.771306 Li\n0.228694 0.000000 0.228694 Li\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pt",
"Pb"
],
"chemical_system": "Li-Pb-Pt",
"density": 1.0081968232703253,
"density_atomic": 0.005835655181458288,
"volume": 685.4414586916064,
"volume_molar": 103.19562367451448,
"formula_full": "Li2 Pt1 Pb1",
"formula_reduced": "Li2PtPb",
"formula_anonymous": "ABC2",
"energy": -8.06573478,
"energy_per_atom": -2.016433695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.06573478,
"band_gap": 0.0,
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"total_magnetization": 0.030785,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.143000Z",
"spacegroup": 71
}
]
}