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{
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"structure_string": "K1 Eu1 Mg1 W1 O6\n1.0\n0.000000 -3.991284 -3.991284\n3.991284 0.000000 -3.991284\n3.991284 -3.991284 0.000000\nK Eu Mg W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 W\n0.742054 0.257946 0.257946 O\n0.257946 0.742054 0.742054 O\n0.742054 0.257946 0.742054 O\n0.257946 0.742054 0.257946 O\n0.742054 0.742054 0.257946 O\n0.257946 0.257946 0.742054 O\n",
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{
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"structure_string": "Sr7 La7 Cu7 Ru7 O42\n1.0\n5.562907 0.000000 0.000000\n2.678944 4.888215 0.000000\n2.281669 1.350873 32.318708\nSr La Cu Ru O\n7 7 7 7 42\ndirect\n0.676041 0.677678 0.968420 Sr\n0.394566 0.393202 0.820425 Sr\n0.110456 0.111716 0.680130 Sr\n0.034343 0.035614 0.893741 Sr\n0.826888 0.826027 0.536215 Sr\n0.542340 0.540623 0.393452 Sr\n0.252714 0.254884 0.251736 Sr\n0.755053 0.758612 0.751911 La\n0.474424 0.475250 0.607781 La\n0.187626 0.188010 0.465750 La\n0.973320 0.964506 0.101528 La\n0.902961 0.905375 0.323012 La\n0.614492 0.607972 0.179359 La\n0.314535 0.328477 0.033419 La\n0.009533 0.987487 0.000744 Cu\n0.082593 0.071362 0.787056 Cu\n0.795392 0.792688 0.643995 Cu\n0.507173 0.510211 0.501021 Cu\n0.224537 0.223510 0.358264 Cu\n0.932045 0.935811 0.214878 Cu\n0.647047 0.637964 0.070978 Cu\n0.713442 0.714493 0.857760 Ru\n0.431645 0.432651 0.714203 Ru\n0.358334 0.356758 0.928514 Ru\n0.861660 0.860450 0.428927 Ru\n0.146890 0.146762 0.572224 Ru\n0.573683 0.577208 0.285700 Ru\n0.290083 0.285175 0.143348 Ru\n0.173692 0.710667 0.954576 O\n0.592764 0.477858 0.893019 O\n0.077669 0.513156 0.884669 O\n0.623371 0.208613 0.972909 O\n0.860982 0.454448 0.812684 O\n0.129792 0.245509 0.964507 O\n0.330090 0.172164 0.747369 O\n0.557112 0.994029 0.902082 O\n0.777640 0.239460 0.741716 O\n0.358667 0.898021 0.832370 O\n0.569308 0.174401 0.667679 O\n0.825374 0.945649 0.822119 O\n0.045228 0.883389 0.604598 O\n0.262042 0.702374 0.757140 O\n0.500554 0.942024 0.597710 O\n0.052610 0.616457 0.691490 O\n0.282513 0.886001 0.525350 O\n0.537100 0.663716 0.677860 O\n0.760869 0.598828 0.461594 O\n0.977725 0.411201 0.615268 O\n0.213482 0.657725 0.454719 O\n0.773112 0.327757 0.547952 O\n0.996627 0.601473 0.382121 O\n0.254925 0.372604 0.535371 O\n0.471715 0.314056 0.318313 O\n0.693477 0.127440 0.471802 O\n0.922072 0.374463 0.312299 O\n0.485613 0.041130 0.405480 O\n0.709922 0.310743 0.239100 O\n0.967238 0.088092 0.391968 O\n0.194119 0.025390 0.174836 O\n0.407034 0.843189 0.328681 O\n0.662716 0.088539 0.164344 O\n0.195830 0.757661 0.262528 O\n0.428368 0.034442 0.095710 O\n0.677083 0.798498 0.247326 O\n0.883618 0.761547 0.037938 O\n0.135997 0.546909 0.187019 O\n0.349540 0.799450 0.030940 O\n0.916175 0.473517 0.118926 O\n0.386908 0.536284 0.108423 O\n0.845515 0.280650 0.043008 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
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"Cu",
"Ru",
"O"
],
"chemical_system": "Cu-La-O-Ru-Sr",
"density": 6.44307134996113,
"density_atomic": 0.07965113163876579,
"volume": 878.8324605036919,
"volume_molar": 7.560646830871962,
"formula_full": "Sr7 La7 Cu7 Ru7 O42",
"formula_reduced": "SrLaCuRuO6",
"formula_anonymous": "ABCDE6",
"energy": -510.87504793,
"energy_per_atom": -7.298214970428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -482.02104793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0461322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.487000Z",
"spacegroup": 1
},
{
"id": "mp-1518471",
"created_at": "2022-09-04T14:40:03.808546Z",
"structure_string": "Sr1 Eu1 In1 Bi1 O6\n1.0\n-0.000000 -4.237002 -4.237002\n4.237002 0.000000 -4.237002\n4.237002 -4.237002 -0.000000\nSr Eu In Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 In\n-0.000000 0.000000 0.000000 Bi\n0.750696 0.249304 0.249304 O\n0.249304 0.750696 0.750696 O\n0.750696 0.249304 0.750696 O\n0.249304 0.750696 0.249304 O\n0.750696 0.750696 0.249304 O\n0.249304 0.249304 0.750696 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"In",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-In-O-Sr",
"density": 7.1974403556836934,
"density_atomic": 0.06573459587813625,
"volume": 152.12689553212974,
"volume_molar": 9.161295782763004,
"formula_full": "Sr1 Eu1 In1 Bi1 O6",
"formula_reduced": "SrEuInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.63566,
"energy_per_atom": -7.063566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -66.51366,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.8245655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.659000Z",
"spacegroup": 216
}
]
}