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{
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{
"id": "mp-1094293",
"created_at": "2022-09-04T14:45:18.289279Z",
"structure_string": "Sr3 Mg1\n1.0\n-2.764780 2.764780 5.924350\n2.764780 -2.764780 5.924350\n2.764780 2.764780 -5.924350\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "Li2 Nb2 O6\n1.0\n4.945202 -2.611495 0.000000\n4.945202 2.611495 0.000000\n3.566106 0.000000 4.307878\nLi Nb O\n2 2 6\ndirect\n0.282832 0.282832 0.282832 Li\n0.782832 0.782832 0.782832 Li\n0.000769 0.000769 0.000769 Nb\n0.500769 0.500769 0.500769 Nb\n0.360316 0.109632 0.720051 O\n0.109632 0.720051 0.360316 O\n0.720051 0.360316 0.109632 O\n0.609632 0.860316 0.220051 O\n0.860316 0.220051 0.609632 O\n0.220051 0.609632 0.860316 O\n",
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"updated_at": "2021-11-28T01:37:04.235000Z",
"spacegroup": 161
},
{
"id": "mp-1187300",
"created_at": "2022-09-04T14:45:18.349611Z",
"structure_string": "Tb3 Pm1\n1.0\n-2.536317 2.536317 5.078805\n2.536317 -2.536317 5.078805\n2.536317 2.536317 -5.078805\nTb Pm\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
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],
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"volume": 130.6858584648574,
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"formula_full": "Tb3 Pm1",
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"updated_at": "2021-11-28T01:37:03.387000Z",
"spacegroup": 139
},
{
"id": "mp-1192116",
"created_at": "2022-09-04T14:45:18.272942Z",
"structure_string": "Y6 Ni14 B4\n1.0\n5.078588 0.000000 0.000000\n-2.539294 4.398186 0.000000\n0.000000 0.000000 14.256627\nY Ni B\n6 14 4\ndirect\n0.333333 0.666667 0.969178 Y\n0.666667 0.333333 0.030822 Y\n0.666667 0.333333 0.469178 Y\n0.333333 0.666667 0.530822 Y\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.165581 0.834419 0.349650 Ni\n0.165581 0.331162 0.349650 Ni\n0.668838 0.834419 0.349650 Ni\n0.834419 0.165581 0.650350 Ni\n0.834419 0.668838 0.650350 Ni\n0.331162 0.165581 0.650350 Ni\n0.834419 0.165581 0.849650 Ni\n0.834419 0.668838 0.849650 Ni\n0.331162 0.165581 0.849650 Ni\n0.165581 0.834419 0.150350 Ni\n0.165581 0.331162 0.150350 Ni\n0.668838 0.834419 0.150350 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n",
"nsites": 24,
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"elements": [
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"B"
],
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"density": 7.291938901371806,
"density_atomic": 0.07536641901852677,
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"formula_full": "Y6 Ni14 B4",
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"energy": -158.10839354,
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"updated_at": "2021-11-28T01:37:00.536000Z",
"spacegroup": 194
},
{
"id": "mp-1075232",
"created_at": "2022-09-04T14:45:18.287022Z",
"structure_string": "Mg6 Si8\n1.0\n6.047116 0.000000 0.000000\n-1.157295 6.143444 0.000000\n-2.540700 -2.077888 7.007649\nMg Si\n6 8\ndirect\n0.963189 0.825945 0.421862 Mg\n0.393975 0.600426 0.708217 Mg\n0.323738 0.101381 0.841629 Mg\n0.187182 0.489021 0.006908 Mg\n0.592103 0.365505 0.340906 Mg\n0.046839 0.293179 0.292462 Mg\n0.569334 0.122270 0.597104 Si\n0.914969 0.731517 0.831151 Si\n0.700001 0.528984 0.042395 Si\n0.617848 0.909134 0.092116 Si\n0.814072 0.089646 0.902741 Si\n0.242712 0.940300 0.160328 Si\n0.978542 0.261890 0.615706 Si\n0.402118 0.734264 0.393206 Si\n",
"nsites": 14,
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"elements": [
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"Si"
],
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"density": 2.3633126296635414,
"density_atomic": 0.05377686632325126,
"volume": 260.33499080899185,
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"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.47661981,
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"updated_at": "2021-11-28T01:37:04.579000Z",
"spacegroup": 1
},
{
"id": "mp-1211973",
"created_at": "2022-09-04T14:45:18.288124Z",
"structure_string": "K4 Lu2 Sb2 O14\n1.0\n-3.969444 4.135798 5.675354\n3.969444 -4.135798 5.675354\n3.969444 4.135798 -5.675354\nK Lu Sb O\n4 2 2 14\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.879544 0.586152 0.293392 O\n0.207241 0.913848 0.293392 O\n0.185678 0.791528 0.751091 O\n0.459564 0.708472 0.394151 O\n0.459564 0.065413 0.751091 O\n0.185678 0.434587 0.394151 O\n0.814322 0.565413 0.605849 O\n0.540436 0.934587 0.248909 O\n0.540436 0.291528 0.605849 O\n0.814322 0.208472 0.248909 O\n0.391583 0.250000 0.141583 O\n0.120456 0.413848 0.706608 O\n0.792759 0.086152 0.706608 O\n0.608417 0.750000 0.858417 O\n",
"nsites": 22,
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"elements": [
"K",
"Lu",
"Sb",
"O"
],
"chemical_system": "K-Lu-O-Sb",
"density": 4.339045716604849,
"density_atomic": 0.05903108088597315,
"volume": 372.6850274433582,
"volume_molar": 10.201644065492573,
"formula_full": "K4 Lu2 Sb2 O14",
"formula_reduced": "K2LuSbO7",
"formula_anonymous": "ABC2D7",
"energy": -132.22626846,
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"spacegroup": 74
},
{
"id": "mp-566960",
"created_at": "2022-09-04T14:45:18.304998Z",
"structure_string": "Pd4 C8 S8 O32 F8\n1.0\n15.175682 0.000000 0.000000\n0.000000 7.602460 0.000000\n0.000000 7.410188 8.706704\nPd C S O F\n4 8 8 32 8\ndirect\n0.859867 0.724659 0.804904 Pd\n0.359867 0.275341 0.695096 Pd\n0.140133 0.275341 0.195096 Pd\n0.640133 0.724659 0.304904 Pd\n0.241522 0.468399 0.085326 C\n0.396239 0.460291 0.746003 C\n0.603761 0.539709 0.253997 C\n0.758478 0.531601 0.914674 C\n0.103761 0.460291 0.246003 C\n0.896239 0.539709 0.753997 C\n0.741522 0.531601 0.414674 C\n0.258478 0.468399 0.585326 C\n0.443168 0.900935 0.226665 S\n0.816506 0.866582 0.004361 S\n0.316506 0.133418 0.495639 S\n0.683494 0.866582 0.504361 S\n0.556832 0.099065 0.773335 S\n0.943168 0.099065 0.273335 S\n0.183494 0.133418 0.995639 S\n0.056832 0.900935 0.726665 S\n0.784107 0.054119 0.993070 O\n0.302182 0.579609 0.021301 O\n0.930246 0.256066 0.109974 O\n0.606641 0.889427 0.871267 O\n0.579249 0.429276 0.225831 O\n0.715893 0.054119 0.493070 O\n0.197818 0.579609 0.521301 O\n0.279228 0.360580 0.383709 O\n0.393359 0.110573 0.128733 O\n0.430246 0.743934 0.390026 O\n0.106641 0.110573 0.628733 O\n0.802182 0.420391 0.478699 O\n0.539289 0.952378 0.178557 O\n0.174115 0.058725 0.154012 O\n0.960711 0.952378 0.678557 O\n0.325885 0.058725 0.654012 O\n0.825885 0.941275 0.845988 O\n0.569754 0.256066 0.609974 O\n0.674115 0.941275 0.345988 O\n0.079249 0.570724 0.274169 O\n0.220772 0.360580 0.883709 O\n0.069754 0.743934 0.890026 O\n0.720772 0.639420 0.616291 O\n0.039289 0.047622 0.321443 O\n0.460711 0.047622 0.821443 O\n0.920751 0.429276 0.725831 O\n0.284107 0.945881 0.506930 O\n0.420751 0.570724 0.774169 O\n0.697818 0.420391 0.978699 O\n0.893359 0.889427 0.371267 O\n0.779228 0.639420 0.116291 O\n0.215893 0.945881 0.006930 O\n0.083575 0.754316 0.675449 F\n0.081969 0.163492 0.945200 F\n0.581969 0.836508 0.554800 F\n0.918031 0.836508 0.054800 F\n0.416425 0.754316 0.175449 F\n0.418031 0.163492 0.445200 F\n0.916425 0.245684 0.324551 F\n0.583575 0.245684 0.824551 F\n",
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"volume": 1004.5143411292562,
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"formula_full": "Pd4 C8 S8 O32 F8",
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}
]
}