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{
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{
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{
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"structure_string": "K1 Ba1 Ce1 W1 O6\n1.0\n-0.000000 -4.294673 -4.294673\n4.294673 0.000000 -4.294673\n4.294673 -4.294673 0.000000\nK Ba Ce W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 W\n0.730172 0.269828 0.269828 O\n0.269828 0.730172 0.730172 O\n0.730172 0.269828 0.730172 O\n0.269828 0.730172 0.269828 O\n0.730172 0.730172 0.269828 O\n0.269828 0.269828 0.730172 O\n",
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{
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"structure_string": "Na1 Sr1 In1 W1 O6\n1.0\n-0.000000 -4.084374 -4.084374\n4.084374 -0.000000 -4.084374\n4.084374 -4.084374 0.000000\nNa Sr In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 In\n0.500000 0.500000 0.500000 W\n0.737735 0.262265 0.262265 O\n0.262265 0.737735 0.737735 O\n0.737735 0.262265 0.737735 O\n0.262265 0.737735 0.262265 O\n0.737735 0.737735 0.262265 O\n0.262265 0.262265 0.737735 O\n",
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{
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"structure_string": "Ba4 Tb4 Eu4 Sb4 O24\n1.0\n8.473848 0.000000 0.000000\n0.000000 8.444800 0.000000\n0.000000 0.000000 8.441076\nBa Tb Eu Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 -0.000000 -0.000000 Eu\n-0.000000 -0.000000 0.500000 Eu\n0.750000 0.750000 0.750000 Sb\n0.250000 0.250000 0.750000 Sb\n0.250000 0.750000 0.250000 Sb\n0.750000 0.250000 0.250000 Sb\n0.985391 0.216669 0.279010 O\n0.014609 0.783331 0.279010 O\n0.014609 0.216669 0.720990 O\n0.985391 0.783331 0.720990 O\n0.281449 0.985430 0.217747 O\n0.281449 0.014570 0.782253 O\n0.718551 0.014570 0.217747 O\n0.718551 0.985430 0.782253 O\n0.225559 0.275019 0.986029 O\n0.774441 0.275019 0.013971 O\n0.225559 0.724981 0.013971 O\n0.774441 0.724981 0.986029 O\n0.514609 0.283331 0.220991 O\n0.485391 0.716669 0.220991 O\n0.485391 0.283331 0.779010 O\n0.514609 0.716669 0.779010 O\n0.218551 0.514570 0.282253 O\n0.218551 0.485430 0.717747 O\n0.781449 0.485430 0.282253 O\n0.781449 0.514570 0.717747 O\n0.274441 0.224981 0.513971 O\n0.725559 0.224981 0.486029 O\n0.274441 0.775019 0.486029 O\n0.725559 0.775019 0.513971 O\n",
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{
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"structure_string": "Sr1 Ca1 Eu1 Sb1 O6\n1.0\n0.000000 -4.221802 -4.221802\n4.221802 0.000000 -4.221802\n4.221802 -4.221802 0.000000\nSr Ca Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Sb\n0.735287 0.264713 0.264713 O\n0.264713 0.735287 0.735287 O\n0.735287 0.264713 0.735287 O\n0.264713 0.735287 0.264713 O\n0.735287 0.735287 0.264713 O\n0.264713 0.264713 0.735287 O\n",
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"nelements": 5,
"elements": [
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"Ca",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ca-Eu-O-Sb-Sr",
"density": 5.48842032701024,
"density_atomic": 0.06644715951545614,
"volume": 150.49552265170823,
"volume_molar": 9.063052211583555,
"formula_full": "Sr1 Ca1 Eu1 Sb1 O6",
"formula_reduced": "SrCaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -75.09513597,
"energy_per_atom": -7.509513597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.97313597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.626000Z",
"spacegroup": 216
},
{
"id": "mp-1518979",
"created_at": "2022-09-04T14:39:13.012108Z",
"structure_string": "K1 La1 Al1 Bi1 O6\n1.0\n0.000000 -4.018492 -4.018492\n4.018492 0.000000 -4.018492\n4.018492 -4.018492 0.000000\nK La Al Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.761631 0.238369 0.238369 O\n0.238369 0.761631 0.761631 O\n0.761631 0.238369 0.761631 O\n0.238369 0.761631 0.238369 O\n0.761631 0.761631 0.238369 O\n0.238369 0.238369 0.761631 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-K-La-O",
"density": 6.524807236510718,
"density_atomic": 0.07705142590218139,
"volume": 129.78345154436514,
"volume_molar": 7.815742135188063,
"formula_full": "K1 La1 Al1 Bi1 O6",
"formula_reduced": "KLaAlBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.09899354000001,
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"energy_above_hull": null,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.479000Z",
"spacegroup": 216
}
]
}