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{
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{
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{
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"created_at": "2022-09-04T14:44:30.614400Z",
"structure_string": "K1 Ca1 Pr1 Sb1 O6\n1.0\n-0.000000 -4.193402 -4.193402\n4.193402 -0.000000 -4.193402\n4.193402 -4.193402 0.000000\nK Ca Pr Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 -0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Sb\n0.735677 0.264323 0.264323 O\n0.264323 0.735677 0.735677 O\n0.735677 0.264323 0.735677 O\n0.264323 0.735677 0.264323 O\n0.735677 0.735677 0.264323 O\n0.264323 0.264323 0.735677 O\n",
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{
"id": "mp-1523185",
"created_at": "2022-09-04T14:41:50.721407Z",
"structure_string": "K4 Sr4 Ce4 Bi4 O24\n1.0\n8.620879 0.000000 0.000000\n0.000000 8.641827 0.000000\n0.000000 0.000000 8.641103\nK Sr Ce Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 -0.000000 K\n-0.000000 -0.000000 0.500000 K\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.995240 0.222177 0.272994 O\n0.004760 0.777823 0.272994 O\n0.004760 0.222177 0.727006 O\n0.995240 0.777823 0.727006 O\n0.275145 0.993441 0.207366 O\n0.275145 0.006559 0.792634 O\n0.724855 0.006559 0.207366 O\n0.724855 0.993441 0.792634 O\n0.219871 0.265030 0.995463 O\n0.780129 0.265030 0.004537 O\n0.219871 0.734970 0.004537 O\n0.780129 0.734970 0.995463 O\n0.504760 0.277823 0.227006 O\n0.495240 0.722177 0.227006 O\n0.495240 0.277823 0.772994 O\n0.504760 0.722177 0.772994 O\n0.224855 0.506559 0.292634 O\n0.224855 0.493441 0.707366 O\n0.775145 0.493441 0.292634 O\n0.775145 0.506559 0.707366 O\n0.280129 0.234970 0.504537 O\n0.719871 0.234970 0.495463 O\n0.280129 0.765030 0.495463 O\n0.719871 0.765030 0.504537 O\n",
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"formula_full": "K4 Sr4 Ce4 Bi4 O24",
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"spacegroup": 48
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{
"id": "mp-1520390",
"created_at": "2022-09-04T14:42:14.154605Z",
"structure_string": "Ba2 La2 Eu2 Sb2 O12\n1.0\n6.066810 -0.000292 -0.022191\n-0.005885 6.117127 -0.018706\n-0.038475 -0.032722 8.623008\nBa La Eu Sb O\n2 2 2 2 12\ndirect\n0.505733 0.526542 0.250306 Ba\n0.494267 0.473458 0.749694 Ba\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.991075 0.036705 0.252748 Eu\n0.008925 0.963295 0.747252 Eu\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.236816 0.193783 0.947171 O\n0.265865 0.696678 0.528062 O\n0.763184 0.806217 0.052829 O\n0.734135 0.303322 0.471938 O\n0.303043 0.737876 0.958738 O\n0.184791 0.228489 0.548645 O\n0.696957 0.262124 0.041262 O\n0.815209 0.771511 0.451355 O\n0.403407 0.995166 0.227589 O\n0.062833 0.453874 0.271281 O\n0.596593 0.004834 0.772411 O\n0.937167 0.546126 0.728719 O\n",
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{
"id": "mp-1517684",
"created_at": "2022-09-04T14:42:14.044438Z",
"structure_string": "Na1 Sr1 Tb1 Fe1 O6\n1.0\n0.000000 -4.068693 -4.068693\n4.068693 0.000000 -4.068693\n4.068693 -4.068693 -0.000000\nNa Sr Tb Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Fe\n0.771389 0.228611 0.228611 O\n0.228611 0.771389 0.771389 O\n0.771389 0.228611 0.771389 O\n0.228611 0.771389 0.228611 O\n0.771389 0.771389 0.228611 O\n0.228611 0.228611 0.771389 O\n",
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{
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{
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{
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{
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"structure_string": "Na2 Ca2 Eu2 W2 O12\n1.0\n5.762905 0.000000 0.000000\n0.000000 5.762905 0.000000\n0.000000 0.000000 8.450094\nNa Ca Eu W O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Na\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Ca\n0.000000 0.500000 0.750000 Ca\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.268296 O\n0.500000 0.500000 0.231704 O\n0.000000 0.000000 0.731704 O\n0.500000 0.500000 0.768296 O\n0.349397 0.196497 0.011388 O\n0.650603 0.803503 0.011388 O\n0.803503 0.349397 0.988612 O\n0.196497 0.650603 0.988612 O\n0.849397 0.303503 0.511388 O\n0.150603 0.696497 0.511388 O\n0.303503 0.150603 0.488612 O\n0.696497 0.849397 0.488612 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ca-Eu-Na-O-W",
"density": 5.856311275840862,
"density_atomic": 0.07126651710290532,
"volume": 280.63669747072095,
"volume_molar": 8.450168472951088,
"formula_full": "Na2 Ca2 Eu2 W2 O12",
"formula_reduced": "NaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -165.84022631,
"energy_per_atom": -8.2920113155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.72022631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.224000Z",
"spacegroup": 118
},
{
"id": "mp-1516192",
"created_at": "2022-09-04T14:41:08.829922Z",
"structure_string": "Eu1 Ni1 Sn1 W1 O6\n1.0\n-0.000000 -3.999427 -3.999427\n3.999427 0.000000 -3.999427\n3.999427 -3.999427 0.000000\nEu Ni Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 0.000000 Ni\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.743589 0.256411 0.256411 O\n0.256411 0.743589 0.743589 O\n0.743589 0.256411 0.743589 O\n0.256411 0.743589 0.256411 O\n0.743589 0.743589 0.256411 O\n0.256411 0.256411 0.743589 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sn",
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"O"
],
"chemical_system": "Eu-Ni-O-Sn-W",
"density": 7.906574781146269,
"density_atomic": 0.07815858384006072,
"volume": 127.94499987951971,
"volume_molar": 7.705027988126507,
"formula_full": "Eu1 Ni1 Sn1 W1 O6",
"formula_reduced": "EuNiSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.34796076,
"energy_per_atom": -8.334796076,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -72.24696076,
"band_gap": 0.2139999999999995,
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"is_magnetic": true,
"total_magnetization": 9.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.781000Z",
"spacegroup": 216
}
]
}