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{
"id": "mp-1215976",
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"structure_string": "Y2 Ni2 Ge2\n1.0\n2.069166 5.129335 0.000000\n-2.069166 5.129335 0.000000\n0.000000 4.592724 5.116037\nY Ni Ge\n2 2 2\ndirect\n0.549699 0.549699 0.691622 Y\n0.450301 0.450301 0.308378 Y\n0.170647 0.170647 0.273689 Ni\n0.829353 0.829353 0.726311 Ni\n0.827981 0.827981 0.107515 Ge\n0.172019 0.172019 0.892485 Ge\n",
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{
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{
"id": "mp-3638",
"created_at": "2022-09-04T14:43:15.906543Z",
"structure_string": "Cu4 P4 O14\n1.0\n4.104225 3.592223 0.000000\n-4.104225 3.592223 0.000000\n0.000000 3.420594 8.730941\nCu P O\n4 4 14\ndirect\n0.288758 0.661674 0.991324 Cu\n0.338326 0.711242 0.508676 Cu\n0.711242 0.338326 0.008676 Cu\n0.661674 0.288758 0.491324 Cu\n0.200767 0.178273 0.292944 P\n0.821727 0.799233 0.207056 P\n0.799233 0.821727 0.707056 P\n0.178273 0.200767 0.792944 P\n0.011559 0.310095 0.376989 O\n0.689905 0.988441 0.123011 O\n0.988441 0.689905 0.623011 O\n0.310095 0.011559 0.876989 O\n0.375683 0.064562 0.385918 O\n0.935438 0.624317 0.114082 O\n0.624317 0.935438 0.614082 O\n0.064562 0.375683 0.885918 O\n0.939490 0.060510 0.750000 O\n0.060510 0.939490 0.250000 O\n0.370010 0.371469 0.637785 O\n0.628531 0.629990 0.862215 O\n0.629990 0.628531 0.362215 O\n0.371469 0.370010 0.137785 O\n",
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{
"id": "mp-1194119",
"created_at": "2022-09-04T14:43:15.907619Z",
"structure_string": "Li4 Sn2 H12 O12\n1.0\n5.230996 0.000000 0.000000\n0.000000 5.633155 0.000000\n-4.119935 0.000000 9.209007\nLi Sn H O\n4 2 12 12\ndirect\n0.063621 0.730473 0.658136 Li\n0.063621 0.769527 0.158136 Li\n0.936379 0.269527 0.341864 Li\n0.936379 0.230473 0.841864 Li\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.003300 0.822473 0.879428 H\n0.003300 0.677527 0.379428 H\n0.996700 0.177527 0.120572 H\n0.996700 0.322473 0.620572 H\n0.333097 0.420724 0.062605 H\n0.333097 0.079276 0.562605 H\n0.666903 0.579276 0.937395 H\n0.666903 0.920724 0.437395 H\n0.558444 0.752984 0.230914 H\n0.558444 0.747016 0.730914 H\n0.441556 0.247016 0.769086 H\n0.441556 0.252984 0.269086 H\n0.114001 0.906357 0.834165 O\n0.114001 0.593643 0.334165 O\n0.885999 0.093643 0.165835 O\n0.885999 0.406357 0.665835 O\n0.256144 0.258353 0.048785 O\n0.256144 0.241647 0.548785 O\n0.743856 0.741647 0.951215 O\n0.743856 0.758353 0.451215 O\n0.413872 0.754367 0.130827 O\n0.413872 0.745633 0.630827 O\n0.586128 0.245633 0.869173 O\n0.586128 0.254367 0.369173 O\n",
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"elements": [
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],
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"density_atomic": 0.11055346588579955,
"volume": 271.36191307642633,
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"formula_full": "Li4 Sn2 H12 O12",
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{
"id": "mp-732208",
"created_at": "2022-09-04T14:43:15.911861Z",
"structure_string": "Zr4 N4 F20\n1.0\n8.517332 0.000000 0.000000\n0.000000 8.091524 0.000000\n0.000000 4.326891 7.347203\nZr N F\n4 4 20\ndirect\n0.760266 0.499393 0.746423 Zr\n0.260266 0.500607 0.753577 Zr\n0.239734 0.500607 0.253577 Zr\n0.739734 0.499393 0.246423 Zr\n0.508962 0.013322 0.240691 N\n0.008962 0.986678 0.259309 N\n0.491038 0.986678 0.759309 N\n0.991038 0.013322 0.740691 N\n0.736123 0.774072 0.645735 F\n0.236123 0.225928 0.854265 F\n0.263877 0.225928 0.354265 F\n0.763877 0.774072 0.145735 F\n0.735239 0.224848 0.910001 F\n0.235239 0.775152 0.589999 F\n0.264761 0.775152 0.089999 F\n0.764761 0.224848 0.410001 F\n0.747698 0.499426 0.004693 F\n0.247698 0.500574 0.495307 F\n0.252302 0.500574 0.995307 F\n0.752302 0.499426 0.504693 F\n0.496092 0.498763 0.249104 F\n0.996092 0.501237 0.250896 F\n0.503908 0.501237 0.750896 F\n0.003908 0.498763 0.749104 F\n0.500068 0.821017 0.345640 F\n0.000068 0.178983 0.154360 F\n0.499932 0.178983 0.654360 F\n0.999932 0.821017 0.845640 F\n",
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"formula_full": "Zr4 N4 F20",
"formula_reduced": "ZrNF5",
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"energy": -176.15092458,
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{
"id": "mp-1229055",
"created_at": "2022-09-04T14:43:15.925073Z",
"structure_string": "Ag1 Sb1 Te2\n1.0\n0.000000 0.000000 -3.115690\n-3.606813 -4.529149 0.000000\n-4.576871 6.765806 0.000000\nAg Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n",
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"formula_full": "Ag1 Sb1 Te2",
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{
"id": "mp-26017",
"created_at": "2022-09-04T14:43:15.931765Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n10.195903 0.000000 0.000000\n0.000000 5.066096 0.000000\n0.000000 5.016594 6.804830\nLi Co P O\n4 4 4 16\ndirect\n0.344950 0.705450 0.492619 Li\n0.655050 0.294550 0.507381 Li\n0.155050 0.705450 0.992619 Li\n0.844950 0.294550 0.007381 Li\n0.843914 0.794784 0.508972 Co\n0.343914 0.205216 0.991028 Co\n0.156086 0.205216 0.491028 Co\n0.656086 0.794784 0.008972 Co\n0.595439 0.550989 0.754904 P\n0.095439 0.449011 0.745096 P\n0.404561 0.449011 0.245096 P\n0.904561 0.550989 0.254904 P\n0.843225 0.241948 0.444458 O\n0.656775 0.241948 0.944458 O\n0.661534 0.617049 0.568841 O\n0.338466 0.382951 0.431159 O\n0.161534 0.382951 0.931159 O\n0.946118 0.499354 0.753995 O\n0.553882 0.499354 0.253995 O\n0.446118 0.500646 0.746005 O\n0.878267 0.849778 0.258802 O\n0.156775 0.758052 0.555542 O\n0.621733 0.849778 0.758802 O\n0.838466 0.617049 0.068841 O\n0.378267 0.150222 0.241198 O\n0.343225 0.758052 0.055542 O\n0.121733 0.150222 0.741198 O\n0.053882 0.500646 0.246005 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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{
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"created_at": "2022-09-04T14:43:15.921769Z",
"structure_string": "K1 Dy1 Ti4 O12\n1.0\n0.000000 -3.874518 -3.878503\n0.000000 -3.874518 3.878503\n-7.760743 0.000000 0.000000\nK Dy Ti O\n1 1 4 12\ndirect\n0.013059 0.986941 0.500000 K\n0.477284 0.522716 -0.000000 Dy\n0.505182 0.010841 0.256552 Ti\n0.505182 0.010841 0.743448 Ti\n0.989159 0.494818 0.743448 Ti\n0.989159 0.494818 0.256552 Ti\n0.243800 0.242026 0.230561 O\n0.757974 0.756200 0.230561 O\n0.757974 0.756200 0.769439 O\n0.243800 0.242026 0.769439 O\n0.273777 0.726223 0.248962 O\n0.722052 0.277948 0.202503 O\n0.722052 0.277948 0.797497 O\n0.273777 0.726223 0.751038 O\n0.479189 0.948409 -0.000000 O\n0.517994 0.014605 0.500000 O\n0.051591 0.520811 -0.000000 O\n0.985395 0.482006 0.500000 O\n",
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"formula_full": "K1 Dy1 Ti4 O12",
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{
"id": "mp-1190698",
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"structure_string": "K4 Ba4 Sb4 Se12\n1.0\n9.389800 0.000000 0.000000\n0.000000 9.570646 0.000000\n0.000000 3.003921 9.096612\nK Ba Sb Se\n4 4 4 12\ndirect\n0.089370 0.585350 0.290137 K\n0.589370 0.414650 0.209863 K\n0.910630 0.414650 0.709863 K\n0.410630 0.585350 0.790137 K\n0.713296 0.917058 0.036473 Ba\n0.213296 0.082942 0.463527 Ba\n0.286704 0.082942 0.963527 Ba\n0.786704 0.917058 0.536473 Ba\n0.451546 0.752225 0.373631 Sb\n0.951546 0.247775 0.126369 Sb\n0.548454 0.247775 0.626369 Sb\n0.048454 0.752225 0.873631 Sb\n0.204866 0.359752 0.091482 Se\n0.704866 0.640248 0.408518 Se\n0.795134 0.640248 0.908518 Se\n0.295134 0.359752 0.591482 Se\n0.016367 0.964061 0.222827 Se\n0.516367 0.035939 0.277173 Se\n0.983633 0.035939 0.777173 Se\n0.483633 0.964061 0.722827 Se\n0.396172 0.729481 0.117214 Se\n0.896172 0.270519 0.382786 Se\n0.603828 0.270519 0.882786 Se\n0.103828 0.729481 0.617214 Se\n",
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{
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},
{
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"elements": [
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"chemical_system": "La-Sb",
"density": 6.768344286479337,
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"formula_full": "La4 Sb8",
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{
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}
]
}