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{
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"results": [
{
"id": "mp-773604",
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"structure_string": "Na12 Co4 B8 O24\n1.0\n9.530435 0.000000 0.000000\n0.000000 5.540731 0.000000\n0.000000 4.797084 10.459029\nNa Co B O\n12 4 8 24\ndirect\n0.971505 0.495299 0.344554 Na\n0.664010 0.459635 0.377144 Na\n0.991092 0.924084 0.887557 Na\n0.164010 0.540365 0.122856 Na\n0.491092 0.075916 0.612443 Na\n0.471505 0.504701 0.155446 Na\n0.528495 0.495299 0.844554 Na\n0.508908 0.924084 0.387557 Na\n0.835990 0.459635 0.877144 Na\n0.008908 0.075916 0.112443 Na\n0.335990 0.540365 0.622856 Na\n0.028495 0.504701 0.655446 Na\n0.326908 0.978116 0.874554 Co\n0.826908 0.021884 0.625446 Co\n0.173092 0.978116 0.374554 Co\n0.673092 0.021884 0.125446 Co\n0.312748 0.449762 0.380960 B\n0.652262 0.973721 0.869697 B\n0.812748 0.550238 0.119040 B\n0.152262 0.026279 0.630303 B\n0.847738 0.973721 0.369697 B\n0.187252 0.449762 0.880960 B\n0.347738 0.026279 0.130303 B\n0.687252 0.550238 0.619040 B\n0.326754 0.870543 0.064035 O\n0.701197 0.324015 0.595106 O\n0.940043 0.668978 0.113068 O\n0.261588 0.112240 0.681307 O\n0.692573 0.653402 0.151728 O\n0.013915 0.097538 0.649105 O\n0.192573 0.346598 0.348272 O\n0.513915 0.902462 0.850895 O\n0.440043 0.331022 0.386932 O\n0.761588 0.887760 0.818693 O\n0.826754 0.129457 0.435965 O\n0.201197 0.675985 0.904894 O\n0.798803 0.324015 0.095106 O\n0.173246 0.870543 0.564035 O\n0.238412 0.112240 0.181307 O\n0.559957 0.668978 0.613068 O\n0.486085 0.097538 0.149105 O\n0.807427 0.653402 0.651728 O\n0.986085 0.902462 0.350895 O\n0.307427 0.346598 0.848272 O\n0.738412 0.887760 0.318693 O\n0.059957 0.331022 0.886932 O\n0.298803 0.675985 0.404894 O\n0.673246 0.129457 0.935965 O\n",
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"formula_full": "Na12 Co4 B8 O24",
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},
{
"id": "mp-1236236",
"created_at": "2022-09-04T14:43:13.991037Z",
"structure_string": "Rb4 Li1 Se4 O14\n1.0\n6.993131 4.114931 -0.392310\n6.882615 -3.901066 -0.275205\n-0.172640 0.116920 -8.116994\nRb Li Se O\n4 1 4 14\ndirect\n0.184635 0.523675 0.354783 Rb\n0.486733 0.829213 0.143879 Rb\n0.738239 0.525434 0.582380 Rb\n0.577871 0.192926 0.867885 Rb\n0.087155 0.315324 0.831035 Li\n0.705546 0.077527 0.374972 Se\n0.925866 0.295375 0.113562 Se\n0.260633 0.928988 0.651953 Se\n0.092188 0.698166 0.880692 Se\n0.620929 0.249010 0.523369 O\n0.819534 0.375171 0.927445 O\n0.324780 0.789199 0.486404 O\n0.263946 0.638663 0.009912 O\n0.547617 0.154149 0.225742 O\n0.840036 0.486222 0.244977 O\n0.433663 0.863671 0.780817 O\n0.147527 0.516310 0.747513 O\n0.747967 0.862307 0.448431 O\n0.157555 0.227245 0.062037 O\n0.141799 0.167559 0.622036 O\n0.874258 0.797093 0.957600 O\n0.920181 0.039662 0.296369 O\n0.068006 0.905442 0.757874 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Li-O-Rb-Se",
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"density_atomic": 0.05091972443323226,
"volume": 451.69136824686495,
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"formula_full": "Rb4 Li1 Se4 O14",
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"energy": -125.40872954,
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},
{
"id": "mp-12742",
"created_at": "2022-09-04T14:43:14.128800Z",
"structure_string": "Mg2 Pd6\n1.0\n-1.988653 1.988653 7.948715\n1.988653 -1.988653 7.948715\n1.988653 1.988653 -7.948715\nMg Pd\n2 6\ndirect\n0.123688 0.123688 0.000000 Mg\n0.876312 0.876312 0.000000 Mg\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n0.374429 0.374429 0.000000 Pd\n0.625571 0.625571 0.000000 Pd\n",
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"volume": 125.74042862272854,
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"formula_full": "Mg2 Pd6",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "mp-753288",
"created_at": "2022-09-04T14:43:15.652816Z",
"structure_string": "Li3 V1 F8\n1.0\n4.671857 3.518403 0.000000\n-4.671857 3.518403 0.000000\n0.000000 2.863864 4.810859\nLi V F\n3 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.163308 0.163308 0.615766 F\n0.193898 0.806102 0.000000 F\n0.806102 0.193898 0.000000 F\n0.836692 0.836692 0.384234 F\n0.254142 0.254142 0.001034 F\n0.302527 0.697473 0.500000 F\n0.697473 0.302527 0.500000 F\n0.745858 0.745858 0.998966 F\n",
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"elements": [
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"density_atomic": 0.07587409054644224,
"volume": 158.15675566687477,
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"formula_full": "Li3 V1 F8",
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"spacegroup": 12
},
{
"id": "mp-705424",
"created_at": "2022-09-04T14:43:13.790925Z",
"structure_string": "Fe17 O18\n1.0\n6.834295 0.000000 0.000000\n-3.359349 7.460252 0.000000\n-0.649106 -3.517461 7.412994\nFe O\n17 18\ndirect\n0.670893 0.225892 0.555306 Fe\n0.842848 0.271444 0.946954 Fe\n0.325631 0.105261 0.782034 Fe\n0.675263 0.562566 0.893739 Fe\n0.482746 0.161031 0.163868 Fe\n0.832465 0.607260 0.282737 Fe\n0.324737 0.437434 0.106261 Fe\n0.167218 0.053523 0.383541 Fe\n0.674369 0.894739 0.217966 Fe\n0.500000 0.500000 0.500000 Fe\n0.997860 0.323958 0.326660 Fe\n0.832782 0.946477 0.616459 Fe\n0.329107 0.774108 0.444694 Fe\n0.167535 0.392740 0.717263 Fe\n0.517254 0.838969 0.836132 Fe\n0.002140 0.676042 0.673340 Fe\n0.157152 0.728556 0.053046 Fe\n0.902968 0.121946 0.456067 O\n0.577586 0.038325 0.694104 O\n0.925249 0.473469 0.805507 O\n0.727048 0.079209 0.097770 O\n0.577224 0.350418 0.006736 O\n0.754767 0.411091 0.419005 O\n0.273826 0.275835 0.264737 O\n0.912319 0.806096 0.152800 O\n0.600337 0.709467 0.358796 O\n0.399663 0.290533 0.641204 O\n0.245233 0.588909 0.580995 O\n0.087681 0.193904 0.847200 O\n0.726174 0.724165 0.735263 O\n0.422776 0.649582 0.993264 O\n0.272952 0.920791 0.902230 O\n0.074751 0.526531 0.194493 O\n0.422414 0.961675 0.305896 O\n0.097032 0.878054 0.543933 O\n",
"nsites": 35,
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"elements": [
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"density": 5.436285627042804,
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"volume": 377.95567217818876,
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"formula_full": "Fe17 O18",
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"energy": -284.64563051,
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"spacegroup": 2
},
{
"id": "mp-1189498",
"created_at": "2022-09-04T14:43:13.791486Z",
"structure_string": "Nd14 Rh6\n1.0\n0.000000 0.000000 -6.322683\n-5.086604 -8.811716 0.000000\n-5.086604 8.811716 0.000000\nNd Rh\n14 6\ndirect\n0.464996 0.333329 0.666671 Nd\n0.964996 0.666671 0.333329 Nd\n0.251970 0.125585 0.874415 Nd\n0.252046 0.748836 0.874416 Nd\n0.252046 0.125584 0.251164 Nd\n0.751970 0.874415 0.125585 Nd\n0.752046 0.251164 0.125584 Nd\n0.752046 0.874416 0.748836 Nd\n0.441932 0.541821 0.458179 Nd\n0.441841 0.916388 0.458235 Nd\n0.441841 0.541765 0.083612 Nd\n0.941932 0.458179 0.541821 Nd\n0.941841 0.083612 0.541765 Nd\n0.941841 0.458235 0.916388 Nd\n0.182020 0.811323 0.188677 Rh\n0.182154 0.377400 0.188722 Rh\n0.182154 0.811278 0.622600 Rh\n0.682020 0.188677 0.811323 Rh\n0.682154 0.622600 0.811278 Rh\n0.682154 0.188722 0.377400 Rh\n",
"nsites": 20,
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"elements": [
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"density": 7.725203392293693,
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"volume": 566.7869258302134,
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"formula_full": "Nd14 Rh6",
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"updated_at": "2021-11-28T01:36:05.230000Z",
"spacegroup": 186
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{
"id": "mp-1200294",
"created_at": "2022-09-04T14:43:13.803403Z",
"structure_string": "Pt4 Rh4 Br24 N20 Cl4\n1.0\n9.521300 0.000000 0.000000\n0.000000 9.276971 0.000000\n0.000000 1.314368 17.279646\nPt Rh Br N Cl\n4 4 24 20 4\ndirect\n0.250000 0.162254 0.156634 Pt\n0.750000 0.837746 0.843366 Pt\n0.250000 0.367880 0.668263 Pt\n0.750000 0.632120 0.331737 Pt\n0.250000 0.707445 0.080317 Rh\n0.750000 0.292555 0.919683 Rh\n0.250000 0.831219 0.604821 Rh\n0.750000 0.168781 0.395179 Rh\n0.412929 0.932155 0.193806 Br\n0.912929 0.067845 0.806194 Br\n0.587071 0.067845 0.806194 Br\n0.087071 0.932155 0.193806 Br\n0.250000 0.072548 0.022430 Br\n0.750000 0.927452 0.977570 Br\n0.414285 0.390901 0.121645 Br\n0.914285 0.609099 0.878355 Br\n0.585715 0.609099 0.878355 Br\n0.085715 0.390901 0.121645 Br\n0.250000 0.228256 0.290680 Br\n0.750000 0.771744 0.709320 Br\n0.250000 0.128032 0.575651 Br\n0.750000 0.871968 0.424349 Br\n0.250000 0.601533 0.757599 Br\n0.750000 0.398467 0.242401 Br\n0.509920 0.362756 0.657879 Br\n0.009920 0.637244 0.342121 Br\n0.490080 0.637244 0.342121 Br\n0.990080 0.362756 0.657879 Br\n0.250000 0.543721 0.549449 Br\n0.750000 0.456279 0.450551 Br\n0.250000 0.202661 0.784921 Br\n0.750000 0.797339 0.215079 Br\n0.250000 0.802910 0.185317 N\n0.750000 0.197090 0.814683 N\n0.250000 0.495615 0.154072 N\n0.750000 0.504385 0.845928 N\n0.440817 0.640919 0.102947 N\n0.940817 0.359081 0.897053 N\n0.559183 0.359081 0.897053 N\n0.059183 0.640919 0.102947 N\n0.250000 0.864487 0.009023 N\n0.750000 0.135513 0.990977 N\n0.388350 0.997380 0.597481 N\n0.888350 0.002620 0.402519 N\n0.611650 0.002620 0.402519 N\n0.111650 0.997380 0.597481 N\n0.391870 0.675105 0.574865 N\n0.891870 0.324895 0.425135 N\n0.608130 0.324895 0.425135 N\n0.108130 0.675105 0.574865 N\n0.250000 0.785289 0.712121 N\n0.750000 0.214711 0.287879 N\n0.250000 0.570655 0.964484 Cl\n0.750000 0.429345 0.035516 Cl\n0.250000 0.858740 0.463201 Cl\n0.750000 0.141260 0.536799 Cl\n",
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],
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"volume": 1526.2908100104542,
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"formula_full": "Pt4 Rh4 Br24 N20 Cl4",
"formula_reduced": "PtRhBr6N5Cl",
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"energy": -215.45596248,
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{
"id": "mp-849734",
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"structure_string": "Li2 V2 F8\n1.0\n2.585144 5.921972 0.000000\n-2.585144 5.921972 0.000000\n0.000000 0.176623 5.514484\nLi V F\n2 2 8\ndirect\n0.060343 0.939657 0.750000 Li\n0.939657 0.060343 0.250000 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.768545 0.045803 0.977635 F\n0.045803 0.768545 0.477635 F\n0.656004 0.764613 0.696078 F\n0.235387 0.343996 0.803922 F\n0.764613 0.656004 0.196078 F\n0.343996 0.235387 0.303922 F\n0.954197 0.231455 0.522365 F\n0.231455 0.954197 0.022365 F\n",
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"density": 2.6332750305801107,
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"volume": 168.8441296919708,
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"formula_full": "Li2 V2 F8",
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{
"id": "mp-1084761",
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"structure_string": "Cr4 In2 Pd4\n1.0\n7.266974 0.000000 0.000000\n0.000000 7.266974 0.000000\n0.000000 0.000000 3.280804\nCr In Pd\n4 2 4\ndirect\n0.659323 0.159323 0.500000 Cr\n0.340677 0.840677 0.500000 Cr\n0.159323 0.340677 0.500000 Cr\n0.840677 0.659323 0.500000 Cr\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.137187 0.637187 0.000000 Pd\n0.862813 0.362813 0.000000 Pd\n0.637187 0.862813 0.000000 Pd\n0.362813 0.137187 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Cr4 In2 Pd4",
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{
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{
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},
{
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}
]
}