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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:56.889456Z",
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{
"id": "mp-1212875",
"created_at": "2022-09-04T14:46:55.499753Z",
"structure_string": "Dy4 Al24 Pt9\n1.0\n-7.361651 0.012765 -1.422012\n-3.691582 6.522774 -0.713610\n0.031947 0.005339 -13.194801\nDy Al Pt\n4 24 9\ndirect\n0.393751 0.168350 0.807787 Dy\n0.606249 0.831650 0.192213 Dy\n0.734139 0.498398 0.807461 Dy\n0.265861 0.501602 0.192539 Dy\n0.684622 0.833338 0.944423 Al\n0.315378 0.166662 0.055577 Al\n0.147369 0.832117 0.560885 Al\n0.852631 0.167883 0.439115 Al\n0.479829 0.166920 0.558816 Al\n0.520171 0.833080 0.441184 Al\n0.217455 0.165299 0.329889 Al\n0.782545 0.834701 0.670111 Al\n0.438139 0.505949 0.670008 Al\n0.561861 0.494051 0.329992 Al\n0.110072 0.159938 0.669393 Al\n0.889928 0.840062 0.330607 Al\n0.353577 0.498610 0.944755 Al\n0.646423 0.501390 0.055245 Al\n0.013956 0.168288 0.953219 Al\n0.986044 0.831712 0.046781 Al\n0.187017 0.498590 0.440992 Al\n0.812983 0.501410 0.559008 Al\n0.733999 0.164136 0.182916 Al\n0.266001 0.835864 0.817084 Al\n0.061905 0.631854 0.815811 Al\n0.938095 0.368146 0.184189 Al\n0.854001 0.041838 0.816113 Al\n0.145999 0.958162 0.183887 Al\n0.120260 0.492603 0.638777 Pt\n0.879740 0.507397 0.361223 Pt\n0.657481 0.171089 0.999865 Pt\n0.342519 0.828911 0.000135 Pt\n0.538589 0.166691 0.361173 Pt\n0.461411 0.833309 0.638827 Pt\n0.779653 0.174468 0.637035 Pt\n0.220347 0.825532 0.362965 Pt\n0.000000 0.500000 0.000000 Pt\n",
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{
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{
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{
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"structure_string": "Mg1 Sc1 Pd2\n1.0\n0.000000 3.259912 3.259912\n3.259912 0.000000 3.259912\n3.259912 3.259912 0.000000\nMg Sc Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"is_magnetic": false,
"total_magnetization": 0.0025999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.286000Z",
"spacegroup": 225
},
{
"id": "mp-1041008",
"created_at": "2022-09-04T14:47:03.288717Z",
"structure_string": "Mg4 Mn8 P8 O36\n1.0\n6.392649 0.000000 0.000000\n0.000000 7.245991 0.000000\n0.000000 0.000000 14.357151\nMg Mn P O\n4 8 8 36\ndirect\n0.250000 0.905434 0.772874 Mg\n0.250000 0.594566 0.272874 Mg\n0.750000 0.405434 0.727126 Mg\n0.750000 0.094566 0.227126 Mg\n0.250000 0.353076 0.880998 Mn\n0.750000 0.646924 0.119002 Mn\n0.750000 0.853076 0.619002 Mn\n0.250000 0.146924 0.380998 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.368797 0.928442 P\n0.250000 0.631203 0.071558 P\n0.250000 0.868797 0.571558 P\n0.750000 0.131203 0.428442 P\n0.250000 0.387439 0.699699 P\n0.250000 0.112561 0.199699 P\n0.750000 0.887439 0.800301 P\n0.750000 0.612561 0.300301 P\n0.542797 0.609386 0.356334 O\n0.042797 0.390614 0.643666 O\n0.457203 0.109386 0.143666 O\n0.957203 0.890614 0.856334 O\n0.457203 0.390614 0.643666 O\n0.957203 0.609386 0.356334 O\n0.542797 0.890614 0.856334 O\n0.042797 0.109386 0.143666 O\n0.750000 0.322018 0.478256 O\n0.250000 0.677982 0.521744 O\n0.250000 0.822018 0.021744 O\n0.750000 0.177982 0.978256 O\n0.250000 0.128841 0.950025 O\n0.750000 0.871159 0.049975 O\n0.750000 0.628841 0.549975 O\n0.250000 0.371159 0.450025 O\n0.250000 0.207208 0.763456 O\n0.750000 0.792792 0.236544 O\n0.750000 0.707208 0.736544 O\n0.250000 0.292792 0.263456 O\n0.933980 0.121071 0.358824 O\n0.433980 0.878929 0.641176 O\n0.066020 0.621071 0.141176 O\n0.566020 0.378929 0.858824 O\n0.066020 0.878929 0.641176 O\n0.566020 0.121071 0.358824 O\n0.933980 0.378929 0.858824 O\n0.433980 0.621071 0.141176 O\n0.250000 0.481383 0.997933 O\n0.750000 0.046257 0.726250 O\n0.750000 0.453743 0.226250 O\n0.250000 0.546257 0.773750 O\n0.250000 0.018617 0.497933 O\n0.750000 0.981383 0.502067 O\n0.750000 0.518617 0.002067 O\n0.250000 0.953743 0.273750 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"P",
"O"
],
"chemical_system": "Mg-Mn-O-P",
"density": 3.397022671981822,
"density_atomic": 0.08420562609324762,
"volume": 665.0386986967678,
"volume_molar": 7.15170831142708,
"formula_full": "Mg4 Mn8 P8 O36",
"formula_reduced": "MgMn2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -443.05061054,
"energy_per_atom": -7.911618045357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -404.97461054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.001127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.538000Z",
"spacegroup": 62
}
]
}