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{
"id": "mp-1245272",
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{
"id": "mp-1227771",
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"structure_string": "Ba2 Sr2 Dy8 O16\n1.0\n0.000000 -3.466446 0.000000\n-10.321844 0.000000 0.000000\n0.000000 0.000000 -12.097179\nBa Sr Dy O\n2 2 8 16\ndirect\n0.750000 0.748428 0.148754 Ba\n0.750000 0.248428 0.351246 Ba\n0.250000 0.254238 0.853084 Sr\n0.250000 0.754238 0.646916 Sr\n0.750000 0.074740 0.613394 Dy\n0.750000 0.574740 0.886606 Dy\n0.250000 0.922986 0.392308 Dy\n0.250000 0.422986 0.107692 Dy\n0.750000 0.079018 0.106803 Dy\n0.750000 0.579018 0.393197 Dy\n0.250000 0.924581 0.885278 Dy\n0.250000 0.424581 0.614722 Dy\n0.750000 0.287821 0.669332 O\n0.750000 0.787821 0.830668 O\n0.250000 0.712010 0.338627 O\n0.250000 0.212010 0.161373 O\n0.750000 0.375547 0.978193 O\n0.750000 0.875547 0.521807 O\n0.250000 0.617064 0.014224 O\n0.250000 0.117064 0.485776 O\n0.750000 0.984870 0.283881 O\n0.750000 0.484870 0.216119 O\n0.250000 0.008797 0.715261 O\n0.250000 0.508797 0.784739 O\n0.750000 0.076957 0.919249 O\n0.750000 0.576957 0.580751 O\n0.250000 0.932943 0.071473 O\n0.250000 0.432943 0.428527 O\n",
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"volume": 432.8384539377486,
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"formula_full": "Ba2 Sr2 Dy8 O16",
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"spacegroup": 26
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{
"id": "mp-768477",
"created_at": "2022-09-04T14:47:59.858800Z",
"structure_string": "Li6 Mn12 P12 O48\n1.0\n8.682116 0.000000 0.000000\n-2.244498 8.831046 0.000000\n-2.110674 -3.951563 11.758195\nLi Mn P O\n6 12 12 48\ndirect\n0.012965 0.861440 0.872718 Li\n0.500000 0.500000 0.000000 Li\n0.498805 0.248380 0.749427 Li\n0.500000 0.000000 0.500000 Li\n0.501195 0.751620 0.250573 Li\n0.987035 0.138560 0.127282 Li\n0.616613 0.896092 0.960723 Mn\n0.263497 0.491112 0.755324 Mn\n0.933922 0.483870 0.868145 Mn\n0.064014 0.009135 0.628069 Mn\n0.381409 0.604647 0.538402 Mn\n0.729484 0.008301 0.738690 Mn\n0.270516 0.991699 0.261310 Mn\n0.618591 0.395353 0.461598 Mn\n0.935986 0.990865 0.371931 Mn\n0.066078 0.516130 0.131855 Mn\n0.736503 0.508888 0.244676 Mn\n0.383387 0.103908 0.039277 Mn\n0.126329 0.234100 0.891147 P\n0.344847 0.880138 0.749890 P\n0.709780 0.270454 0.980060 P\n0.654633 0.622966 0.750715 P\n0.131844 0.738631 0.392201 P\n0.290532 0.230283 0.520692 P\n0.709468 0.769717 0.479308 P\n0.868156 0.261369 0.607799 P\n0.345367 0.377034 0.249285 P\n0.290220 0.729546 0.019940 P\n0.655153 0.119862 0.250110 P\n0.873671 0.765900 0.108853 P\n0.042639 0.356186 0.952782 O\n0.402922 0.926958 0.882821 O\n0.168402 0.637384 0.900718 O\n0.167200 0.134901 0.970104 O\n0.172848 0.903092 0.724774 O\n0.535759 0.270287 0.994702 O\n0.277399 0.328337 0.861667 O\n0.469527 0.986938 0.706231 O\n0.999571 0.384073 0.714135 O\n0.675386 0.804369 0.799683 O\n0.330916 0.701000 0.700066 O\n0.529399 0.516946 0.794059 O\n0.724937 0.350944 0.885274 O\n0.045483 0.857862 0.452750 O\n0.737092 0.105165 0.934959 O\n0.831460 0.611769 0.786647 O\n0.186236 0.650394 0.473586 O\n0.268423 0.397103 0.568047 O\n0.828810 0.865473 0.597949 O\n0.594091 0.573611 0.617073 O\n0.274347 0.149293 0.614984 O\n0.534243 0.769297 0.495119 O\n0.280534 0.832654 0.359501 O\n0.004715 0.889616 0.215316 O\n0.995285 0.110384 0.784684 O\n0.719466 0.167346 0.640499 O\n0.465757 0.230703 0.504881 O\n0.725653 0.850707 0.385016 O\n0.405909 0.426389 0.382927 O\n0.171190 0.134527 0.402051 O\n0.731577 0.602897 0.431953 O\n0.813764 0.349606 0.526414 O\n0.168540 0.388231 0.213353 O\n0.262908 0.894835 0.065041 O\n0.954517 0.142138 0.547250 O\n0.275063 0.649056 0.114726 O\n0.470601 0.483054 0.205941 O\n0.669084 0.299000 0.299934 O\n0.324614 0.195631 0.200317 O\n0.000429 0.615927 0.285865 O\n0.530473 0.013062 0.293769 O\n0.722601 0.671663 0.138333 O\n0.464241 0.729713 0.005298 O\n0.827152 0.096908 0.275226 O\n0.832800 0.865099 0.029896 O\n0.831598 0.362616 0.099282 O\n0.597078 0.073042 0.117179 O\n0.957361 0.643814 0.047218 O\n",
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"density_atomic": 0.08651994074507662,
"volume": 901.5262762352106,
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"formula_full": "Li6 Mn12 P12 O48",
"formula_reduced": "LiMn2(PO4)2",
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"energy": -620.22733732,
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{
"id": "mp-850207",
"created_at": "2022-09-04T14:47:59.881169Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.478226 -0.005956 -4.980840\n0.000000 5.508488 0.006416\n4.478226 0.005956 4.980840\nMn O F\n8 14 2\ndirect\n0.372865 0.352239 0.116881 Mn\n0.116540 0.669857 0.376073 Mn\n0.133119 0.852239 0.877135 Mn\n0.873927 0.169857 0.133460 Mn\n0.382556 0.130519 0.632332 Mn\n0.623822 0.855528 0.371278 Mn\n0.617668 0.630519 0.867444 Mn\n0.878722 0.355528 0.626178 Mn\n0.153164 0.114502 0.077350 O\n0.172650 0.614502 0.096836 O\n0.575200 0.607591 0.150779 O\n0.080128 0.614887 0.657277 O\n0.346476 0.889148 0.425511 O\n0.099221 0.107591 0.674800 O\n0.592723 0.114887 0.169872 O\n0.410060 0.885316 0.832404 O\n0.658885 0.106505 0.579138 O\n0.898275 0.895566 0.320253 O\n0.417596 0.385316 0.839940 O\n0.670862 0.606505 0.591115 O\n0.929747 0.395566 0.351725 O\n0.824489 0.389148 0.903524 O\n0.333433 0.378342 0.412129 F\n0.837871 0.878342 0.916567 F\n",
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{
"id": "mp-1027095",
"created_at": "2022-09-04T14:47:59.680043Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n1.655276 -2.867022 0.000000\n1.655276 2.867022 0.000000\n0.000000 0.000000 37.630573\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333333 0.666667 0.332945 Te\n0.333333 0.666667 0.230651 Te\n0.333333 0.666667 0.093899 Mo\n0.333333 0.666667 0.469686 Mo\n0.666667 0.333333 0.657532 Mo\n0.666667 0.333333 0.281803 W\n0.333333 0.666667 0.702174 Se\n0.333333 0.666667 0.612889 Se\n0.666667 0.333333 0.053310 S\n0.666667 0.333333 0.429080 S\n0.666667 0.333333 0.134508 S\n0.666667 0.333333 0.510272 S\n",
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"formula_full": "Te2 Mo3 W1 Se2 S4",
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"spacegroup": 156
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{
"id": "mp-1247836",
"created_at": "2022-09-04T14:47:59.682213Z",
"structure_string": "Al4 C1 O1\n1.0\n2.556598 0.000000 0.000000\n-2.556598 4.000656 -0.398743\n-1.278299 0.913268 9.299291\nAl C O\n4 1 1\ndirect\n0.292665 0.511211 0.562910 Al\n0.563347 0.072154 0.982386 Al\n0.148582 0.569478 0.158208 Al\n0.744990 0.074741 0.340496 Al\n0.860286 0.021496 0.677582 C\n0.390130 0.000920 0.778418 O\n",
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{
"id": "mp-1218918",
"created_at": "2022-09-04T14:47:59.698993Z",
"structure_string": "Sr10 P6 Br1 O24 F1\n1.0\n4.996799 -8.654709 0.000000\n4.996799 8.654709 0.000000\n0.000000 0.000000 7.325503\nSr P Br O F\n10 6 1 24 1\ndirect\n0.666667 0.333333 0.498727 Sr\n0.333333 0.666667 0.999074 Sr\n0.333333 0.666667 0.493709 Sr\n0.666667 0.333333 0.004381 Sr\n0.734382 0.725152 0.743645 Sr\n0.274848 0.009229 0.743645 Sr\n0.990771 0.265618 0.743645 Sr\n0.238504 0.243953 0.250531 Sr\n0.756047 0.994551 0.250531 Sr\n0.005449 0.761496 0.250531 Sr\n0.033142 0.633155 0.751278 P\n0.366845 0.399987 0.751278 P\n0.600013 0.966858 0.751278 P\n0.969045 0.373264 0.250216 P\n0.626736 0.595781 0.250216 P\n0.404219 0.030955 0.250216 P\n0.000000 0.000000 0.910924 Br\n0.078973 0.743061 0.583889 O\n0.256939 0.335912 0.583889 O\n0.664088 0.921027 0.583889 O\n0.916829 0.268345 0.077611 O\n0.731655 0.648485 0.077611 O\n0.351515 0.083171 0.077611 O\n0.917266 0.265488 0.420378 O\n0.734512 0.651778 0.420378 O\n0.348222 0.082734 0.420378 O\n0.088479 0.729698 0.929102 O\n0.270302 0.358781 0.929102 O\n0.641219 0.911521 0.929102 O\n0.124316 0.543559 0.738598 O\n0.456441 0.580757 0.738598 O\n0.419243 0.875684 0.738598 O\n0.881218 0.465871 0.253548 O\n0.534129 0.415347 0.253548 O\n0.584653 0.118782 0.253548 O\n0.854984 0.516879 0.751867 O\n0.483121 0.338105 0.751867 O\n0.661895 0.145016 0.751867 O\n0.147473 0.482846 0.250919 O\n0.517154 0.664628 0.250919 O\n0.335372 0.852527 0.250919 O\n0.000000 0.000000 0.338442 F\n",
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