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{
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"results": [
{
"id": "mp-1353956",
"created_at": "2022-09-04T14:40:13.760588Z",
"structure_string": "Ba4 Ca1 Cr4 Cu2 F28\n1.0\n5.403751 -0.000322 -0.001218\n-2.702231 7.078040 -0.175886\n-0.003330 0.014121 15.032934\nBa Ca Cr Cu F\n4 1 4 2 28\ndirect\n0.117387 0.374382 0.622064 Ba\n0.256783 0.361560 0.126255 Ba\n0.894246 0.636299 0.373403 Ba\n0.742868 0.627123 0.878093 Ba\n0.423636 0.001609 0.749208 Ca\n0.140625 0.239458 0.372274 Cr\n0.101303 0.243631 0.874194 Cr\n0.853612 0.755724 0.625029 Cr\n0.898977 0.759478 0.127566 Cr\n0.500521 0.002796 0.001026 Cu\n0.500782 0.999282 0.497644 Cu\n0.843455 0.505147 0.095542 F\n0.158757 0.506022 0.898870 F\n0.085057 0.012743 0.653456 F\n0.071199 0.986211 0.845284 F\n0.295714 0.170426 0.477898 F\n0.585245 0.765262 0.709337 F\n0.825759 0.235328 0.789206 F\n0.646156 0.494557 0.599760 F\n0.936125 0.001171 0.150771 F\n0.887423 0.275973 0.452204 F\n0.403545 0.280617 0.952756 F\n0.618645 0.109970 0.612391 F\n0.927658 0.996321 0.350635 F\n0.151981 0.750029 0.204936 F\n0.644467 0.665005 0.218969 F\n0.340834 0.491514 0.403933 F\n0.878416 0.174397 0.979742 F\n0.610403 0.723740 0.047199 F\n0.983528 0.334078 0.280459 F\n0.030337 0.677844 0.722893 F\n0.507424 0.892939 0.886216 F\n0.497738 0.117405 0.109947 F\n0.117870 0.715494 0.547293 F\n0.703406 0.826931 0.519107 F\n0.123801 0.828035 0.022175 F\n0.359248 0.319614 0.776932 F\n0.400648 0.242603 0.295547 F\n0.374574 0.881846 0.389774 F\n",
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{
"id": "mp-754369",
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"structure_string": "Na8 Mg2 O6\n1.0\n2.970166 5.593047 0.000000\n-2.970166 5.593047 0.000000\n0.000000 3.097061 7.499886\nNa Mg O\n8 2 6\ndirect\n0.485916 0.921735 0.839005 Na\n0.921735 0.485916 0.339005 Na\n0.268126 0.971833 0.538025 Na\n0.031155 0.732609 0.931827 Na\n0.971833 0.268126 0.038025 Na\n0.732609 0.031155 0.431827 Na\n0.120954 0.448265 0.637569 Na\n0.448265 0.120954 0.137569 Na\n0.663293 0.380558 0.752744 Mg\n0.380558 0.663293 0.252744 Mg\n0.678922 0.685872 0.602103 O\n0.685872 0.678922 0.102103 O\n0.358564 0.346645 0.847741 O\n0.346645 0.358564 0.347741 O\n0.006301 0.114131 0.803356 O\n0.114131 0.006301 0.303356 O\n",
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"elements": [
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"density": 2.1892889408930696,
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"formula_full": "Na8 Mg2 O6",
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"energy": -71.82256535,
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},
{
"id": "mp-1043826",
"created_at": "2022-09-04T14:40:13.725949Z",
"structure_string": "Si16 Ni4 O40\n1.0\n7.335144 -0.006503 0.000000\n-0.006531 7.335918 0.000000\n0.000000 0.000000 15.843526\nSi Ni O\n16 4 40\ndirect\n0.927375 0.506445 0.650313 Si\n0.572625 0.993555 0.650313 Si\n0.007430 0.428484 0.848425 Si\n0.506486 0.572531 0.650452 Si\n0.993514 0.927469 0.650452 Si\n0.071045 0.006475 0.849460 Si\n0.428955 0.493525 0.849460 Si\n0.492570 0.071516 0.848425 Si\n0.072625 0.493555 0.349687 Si\n0.427375 0.006445 0.349687 Si\n0.992570 0.571516 0.151575 Si\n0.493514 0.427469 0.349548 Si\n0.006486 0.072531 0.349548 Si\n0.928955 0.993525 0.150540 Si\n0.571045 0.506475 0.150540 Si\n0.507430 0.928484 0.151575 Si\n0.250000 0.250000 0.591577 Ni\n0.750000 0.750000 0.909012 Ni\n0.750000 0.750000 0.408423 Ni\n0.250000 0.250000 0.090988 Ni\n0.029598 0.353197 0.592373 O\n0.470402 0.146803 0.592373 O\n0.855479 0.531011 0.906959 O\n0.357108 0.474091 0.588646 O\n0.142892 0.025909 0.588646 O\n0.972243 0.860637 0.912979 O\n0.527757 0.639363 0.912979 O\n0.644521 0.968989 0.906959 O\n0.970402 0.646803 0.407627 O\n0.529598 0.853197 0.407627 O\n0.144521 0.468989 0.093041 O\n0.642892 0.525909 0.411354 O\n0.857108 0.974091 0.411354 O\n0.027757 0.139363 0.087021 O\n0.472243 0.360637 0.087021 O\n0.997741 0.289486 0.370324 O\n0.355479 0.031011 0.093041 O\n0.497741 0.789486 0.629676 O\n0.211446 0.503524 0.869069 O\n0.710348 0.496597 0.629938 O\n0.789652 0.003404 0.629938 O\n0.997534 0.211610 0.868936 O\n0.502466 0.288390 0.868936 O\n0.288554 0.996476 0.869069 O\n0.461372 0.961429 0.250456 O\n0.537177 0.458914 0.249629 O\n0.962822 0.041086 0.249629 O\n0.038628 0.538570 0.250456 O\n0.538628 0.038570 0.749544 O\n0.462823 0.541086 0.750371 O\n0.037177 0.958913 0.750371 O\n0.961371 0.461430 0.749544 O\n0.711446 0.003525 0.130931 O\n0.497534 0.711610 0.131064 O\n0.002467 0.788390 0.131064 O\n0.210348 0.996597 0.370062 O\n0.289652 0.503403 0.370062 O\n0.788554 0.496476 0.130931 O\n0.502259 0.210514 0.370324 O\n0.002260 0.710514 0.629676 O\n",
"nsites": 60,
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"elements": [
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],
"chemical_system": "Ni-O-Si",
"density": 2.579057621140515,
"density_atomic": 0.07037795447183665,
"volume": 852.5396972714002,
"volume_molar": 8.556856767426934,
"formula_full": "Si16 Ni4 O40",
"formula_reduced": "Si4NiO10",
"formula_anonymous": "AB4C10",
"energy": -460.76897164,
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"updated_at": "2021-11-28T01:34:48.701000Z",
"spacegroup": 68
},
{
"id": "mp-1018087",
"created_at": "2022-09-04T14:40:13.736864Z",
"structure_string": "Ce2 Au2\n1.0\n1.941871 -5.728323 0.000000\n1.941871 5.728323 0.000000\n0.000000 0.000000 4.721145\nCe Au\n2 2\ndirect\n0.859825 0.140175 0.750000 Ce\n0.140175 0.859825 0.250000 Ce\n0.584581 0.415419 0.750000 Au\n0.415419 0.584581 0.250000 Au\n",
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"density": 10.658354948737612,
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"formula_full": "Ce2 Au2",
"formula_reduced": "CeAu",
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"energy": -20.97860106,
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"updated_at": "2021-11-28T01:34:48.752000Z",
"spacegroup": 63
},
{
"id": "mp-1100155",
"created_at": "2022-09-04T14:40:13.739821Z",
"structure_string": "Rb1 Mg6 Sb1\n1.0\n3.383745 -6.059462 0.000000\n3.383745 6.059462 0.000000\n0.000000 0.000000 5.300864\nRb Mg Sb\n1 6 1\ndirect\n0.832307 0.167693 0.500000 Rb\n0.335781 0.169667 0.500000 Mg\n0.830333 0.664219 0.500000 Mg\n0.184971 0.341323 0.000000 Mg\n0.658677 0.815029 0.000000 Mg\n0.655876 0.344124 0.000000 Mg\n0.164372 0.835628 0.000000 Mg\n0.337687 0.662313 0.500000 Sb\n",
"nsites": 8,
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"elements": [
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"density": 2.6970348429290056,
"density_atomic": 0.03680286562564164,
"volume": 217.37437734810968,
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"formula_full": "Rb1 Mg6 Sb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "mp-1097349",
"created_at": "2022-09-04T14:40:13.747385Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-6.222020 6.482761 9.125378\n6.222020 -6.482761 9.125378\n6.222020 6.482761 -9.125378\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.263185 0.263185 Hg\n0.000000 0.736815 0.736815 Hg\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1472.320191631849,
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"spacegroup": 71
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{
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"structure_string": "K1 Sr1 Gd1 W1 O6\n1.0\n0.000000 -4.222256 -4.222256\n4.222256 -0.000000 -4.222256\n4.222256 -4.222256 0.000000\nK Sr Gd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 W\n0.731335 0.268665 0.268665 O\n0.268665 0.731335 0.731335 O\n0.731335 0.268665 0.731335 O\n0.268665 0.731335 0.268665 O\n0.731335 0.731335 0.268665 O\n0.268665 0.268665 0.731335 O\n",
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{
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"structure_string": "Na4 Al4 As8 O28\n1.0\n8.283556 0.000000 0.000000\n0.000000 7.033492 0.000000\n0.000000 2.953324 9.239698\nNa Al As O\n4 4 8 28\ndirect\n0.138737 0.806295 0.528837 Na\n0.361263 0.806295 0.028837 Na\n0.861263 0.193705 0.471163 Na\n0.638737 0.193705 0.971163 Na\n0.275424 0.279549 0.505959 Al\n0.724576 0.720451 0.494041 Al\n0.775424 0.720451 0.994041 Al\n0.224576 0.279549 0.005959 Al\n0.036810 0.057533 0.798273 As\n0.463190 0.057533 0.298273 As\n0.963190 0.942467 0.201727 As\n0.412438 0.513998 0.708030 As\n0.912438 0.486002 0.791970 As\n0.536810 0.942467 0.701727 As\n0.587562 0.486002 0.291970 As\n0.087562 0.513998 0.208030 As\n0.901785 0.532235 0.134608 O\n0.893568 0.901328 0.374535 O\n0.374352 0.767688 0.712830 O\n0.591809 0.626339 0.115058 O\n0.756464 0.521050 0.897537 O\n0.256464 0.478950 0.602463 O\n0.874352 0.232312 0.787170 O\n0.315708 0.072753 0.417112 O\n0.091809 0.373661 0.384942 O\n0.393568 0.098672 0.125465 O\n0.243536 0.478950 0.102463 O\n0.625648 0.232312 0.287170 O\n0.684292 0.927247 0.582888 O\n0.815708 0.927247 0.082888 O\n0.558504 0.833638 0.353419 O\n0.184292 0.072753 0.917112 O\n0.606432 0.901328 0.874535 O\n0.125648 0.767688 0.212830 O\n0.441496 0.166362 0.646581 O\n0.908191 0.626339 0.615058 O\n0.098215 0.467765 0.865392 O\n0.941496 0.833638 0.853419 O\n0.058504 0.166362 0.146581 O\n0.106432 0.098672 0.625465 O\n0.598215 0.532235 0.634608 O\n0.408191 0.373661 0.884942 O\n0.743536 0.521050 0.397537 O\n0.401785 0.467765 0.365392 O\n",
"nsites": 44,
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"volume": 538.3262864616736,
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"formula_full": "Na4 Al4 As8 O28",
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{
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"structure_string": "Pr3 Ga1 C1\n1.0\n5.537393 0.000000 0.000000\n0.000000 5.537393 0.000000\n0.000000 0.000000 5.537393\nPr Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-1208958",
"created_at": "2022-09-04T14:40:13.771103Z",
"structure_string": "Sm16 Mg4 Ir4\n1.0\n0.000000 7.016578 7.016578\n7.016578 0.000000 7.016578\n7.016578 7.016578 0.000000\nSm Mg Ir\n16 4 4\ndirect\n0.596105 0.596105 0.596105 Sm\n0.596105 0.596105 0.211685 Sm\n0.596105 0.211685 0.596105 Sm\n0.211685 0.596105 0.596105 Sm\n0.062320 0.437680 0.437680 Sm\n0.437680 0.062320 0.062320 Sm\n0.437680 0.062320 0.437680 Sm\n0.062320 0.437680 0.062320 Sm\n0.437680 0.437680 0.062320 Sm\n0.062320 0.062320 0.437680 Sm\n0.186493 0.813507 0.813507 Sm\n0.813507 0.186493 0.186493 Sm\n0.813507 0.186493 0.813507 Sm\n0.186493 0.813507 0.186493 Sm\n0.813507 0.813507 0.186493 Sm\n0.186493 0.186493 0.813507 Sm\n0.828595 0.828595 0.828595 Mg\n0.828595 0.828595 0.514214 Mg\n0.828595 0.514214 0.828595 Mg\n0.514214 0.828595 0.828595 Mg\n0.391234 0.391234 0.391234 Ir\n0.391234 0.391234 0.826298 Ir\n0.391234 0.826298 0.391234 Ir\n0.826298 0.391234 0.391234 Ir\n",
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},
{
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.970332 0.000000 0.000000\n1.478358 6.323739 0.000000\n0.740233 2.909559 11.640655\nLi Mn Co O\n7 4 1 12\ndirect\n0.020390 0.981386 0.253384 Li\n0.337308 0.330463 0.584955 Li\n0.654128 0.672605 0.408436 Li\n0.996106 0.998736 0.746700 Li\n0.675753 0.665558 0.925345 Li\n0.315840 0.350375 0.080973 Li\n0.667592 0.664813 0.167550 Li\n0.012932 0.987508 0.006749 Mn\n0.322538 0.342352 0.328904 Mn\n0.664184 0.670629 0.663528 Mn\n0.342823 0.335423 0.836220 Mn\n0.984740 0.000324 0.496273 Co\n0.484272 0.000555 0.109501 O\n0.816393 0.317287 0.445667 O\n0.184706 0.640477 0.298207 O\n0.529033 0.994535 0.618159 O\n0.210037 0.657705 0.787409 O\n0.881982 0.318195 0.957067 O\n0.455179 0.014489 0.380654 O\n0.799026 0.342956 0.710153 O\n0.123492 0.684013 0.542545 O\n0.520290 0.011449 0.888786 O\n0.149287 0.690001 0.036680 O\n0.851970 0.328166 0.226153 O\n",
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],
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"formula_full": "Li7 Mn4 Co1 O12",
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{
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"structure_string": "Li16 Cr8 P16 O56\n1.0\n9.869514 0.000000 0.000000\n0.000000 9.914487 0.000000\n0.000000 2.422304 11.156741\nLi Cr P O\n16 8 16 56\ndirect\n0.720007 0.610003 0.554168 Li\n0.423907 0.670373 0.453265 Li\n0.107665 0.584979 0.973681 Li\n0.911959 0.841206 0.041410 Li\n0.411959 0.658794 0.958590 Li\n0.607665 0.915021 0.026319 Li\n0.923907 0.829627 0.546735 Li\n0.220007 0.889997 0.445832 Li\n0.779993 0.110003 0.554168 Li\n0.076093 0.170373 0.453265 Li\n0.392335 0.084979 0.973681 Li\n0.588041 0.341206 0.041410 Li\n0.088041 0.158794 0.958590 Li\n0.892335 0.415021 0.026319 Li\n0.576093 0.329627 0.546735 Li\n0.279993 0.389997 0.445832 Li\n0.925410 0.700627 0.327597 Cr\n0.215615 0.768507 0.172544 Cr\n0.715615 0.731493 0.827456 Cr\n0.425410 0.799373 0.672403 Cr\n0.574590 0.200627 0.327597 Cr\n0.284385 0.268507 0.172544 Cr\n0.784385 0.231493 0.827456 Cr\n0.074590 0.299373 0.672403 Cr\n0.450595 0.528847 0.238010 P\n0.701850 0.618924 0.104652 P\n0.937954 0.559218 0.754940 P\n0.155278 0.625135 0.576073 P\n0.655278 0.874865 0.423927 P\n0.437954 0.940782 0.245060 P\n0.049405 0.028847 0.238010 P\n0.201850 0.881076 0.895348 P\n0.798150 0.118924 0.104652 P\n0.950595 0.971153 0.761990 P\n0.562046 0.059218 0.754940 P\n0.344722 0.125135 0.576073 P\n0.844722 0.374865 0.423927 P\n0.062046 0.440782 0.245060 P\n0.298150 0.381076 0.895348 P\n0.549405 0.471153 0.761990 P\n0.415664 0.524471 0.368250 O\n0.837143 0.521145 0.445861 O\n0.079104 0.583223 0.275897 O\n0.358745 0.621209 0.145388 O\n0.600330 0.594432 0.220561 O\n0.827706 0.682487 0.147189 O\n0.627932 0.722557 0.001416 O\n0.279947 0.519670 0.928479 O\n0.085834 0.617655 0.706060 O\n0.939654 0.559582 0.887019 O\n0.541188 0.619511 0.788913 O\n0.297094 0.686664 0.584716 O\n0.830470 0.663443 0.688298 O\n0.070909 0.728977 0.486421 O\n0.570909 0.771023 0.513579 O\n0.330470 0.836557 0.311702 O\n0.797094 0.813336 0.415284 O\n0.041188 0.880489 0.211087 O\n0.585834 0.882345 0.293940 O\n0.439654 0.940418 0.112981 O\n0.779947 0.980330 0.071521 O\n0.127932 0.777443 0.998584 O\n0.327706 0.817513 0.852811 O\n0.100330 0.905568 0.779439 O\n0.579104 0.916777 0.724103 O\n0.858745 0.878791 0.854612 O\n0.084336 0.024471 0.368250 O\n0.337143 0.978855 0.554139 O\n0.662857 0.021145 0.445861 O\n0.915664 0.975529 0.631750 O\n0.141255 0.121209 0.145388 O\n0.420896 0.083223 0.275897 O\n0.899670 0.094432 0.220561 O\n0.672294 0.182487 0.147189 O\n0.872068 0.222557 0.001416 O\n0.220053 0.019670 0.928479 O\n0.560346 0.059582 0.887019 O\n0.414166 0.117655 0.706060 O\n0.958812 0.119511 0.788913 O\n0.202906 0.186664 0.584716 O\n0.669530 0.163443 0.688298 O\n0.429091 0.228977 0.486421 O\n0.929091 0.271023 0.513579 O\n0.169530 0.336557 0.311702 O\n0.702906 0.313336 0.415284 O\n0.458812 0.380489 0.211087 O\n0.060346 0.440418 0.112981 O\n0.914166 0.382345 0.293940 O\n0.720053 0.480330 0.071521 O\n0.372068 0.277443 0.998584 O\n0.172294 0.317513 0.852811 O\n0.399670 0.405568 0.779439 O\n0.641255 0.378791 0.854612 O\n0.920896 0.416777 0.724103 O\n0.162857 0.478855 0.554139 O\n0.584336 0.475529 0.631750 O\n",
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"formula_full": "Li16 Cr8 P16 O56",
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}
]
}