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{
"id": "mp-22465",
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"structure_string": "Mn2 Co1 Sn1\n1.0\n0.000000 3.070894 3.070894\n3.070894 0.000000 3.070894\n3.070894 3.070894 0.000000\nMn Co Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Sn\n",
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{
"id": "mp-1193607",
"created_at": "2022-09-04T14:41:10.642516Z",
"structure_string": "Cs2 Ca2 H4 N18 O2\n1.0\n6.934989 0.000000 0.000000\n1.146698 7.550126 0.000000\n1.046039 2.672760 8.517848\nCs Ca H N O\n2 2 4 18 2\ndirect\n0.752164 0.816072 0.905997 Cs\n0.247836 0.183928 0.094003 Cs\n0.308749 0.186719 0.600652 Ca\n0.691251 0.813281 0.399348 Ca\n0.970805 0.446680 0.703578 H\n0.029195 0.553320 0.296422 H\n0.155794 0.495496 0.760493 H\n0.844206 0.504504 0.239507 H\n0.525751 0.299827 0.754983 N\n0.474249 0.700173 0.245017 N\n0.605783 0.434619 0.706040 N\n0.394217 0.565381 0.293960 N\n0.688537 0.569219 0.658260 N\n0.311463 0.430781 0.341740 N\n0.668306 0.079122 0.521243 N\n0.331694 0.920878 0.478757 N\n0.817003 0.131346 0.536078 N\n0.182997 0.868654 0.463922 N\n0.963004 0.181157 0.551957 N\n0.036996 0.818843 0.448043 N\n0.278394 0.935671 0.846865 N\n0.721606 0.064329 0.153135 N\n0.250806 0.778146 0.872846 N\n0.749194 0.221854 0.127154 N\n0.222174 0.622340 0.900845 N\n0.777826 0.377660 0.099155 N\n0.108961 0.401797 0.723136 O\n0.891039 0.598203 0.276864 O\n",
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"spacegroup": 2
},
{
"id": "mp-850251",
"created_at": "2022-09-04T14:41:10.642566Z",
"structure_string": "Na2 Ti9 O19\n1.0\n1.896145 6.268500 0.000000\n-1.896145 6.268500 0.000000\n0.000000 3.897286 15.408723\nNa Ti O\n2 9 19\ndirect\n0.000314 0.000314 0.000300 Na\n0.711767 0.711767 0.501388 Na\n0.786639 0.786639 0.702482 Ti\n0.200506 0.200506 0.880401 Ti\n0.916330 0.916330 0.299243 Ti\n0.106259 0.106259 0.131993 Ti\n0.996517 0.996517 0.500173 Ti\n0.895137 0.895137 0.868176 Ti\n0.086872 0.086872 0.699534 Ti\n0.800293 0.800293 0.119601 Ti\n0.216323 0.216323 0.298572 Ti\n0.162933 0.162933 0.996044 O\n0.377590 0.377590 0.292398 O\n0.246661 0.246661 0.730628 O\n0.954976 0.954976 0.140196 O\n0.731713 0.731713 0.853090 O\n0.909340 0.909340 0.411487 O\n0.852849 0.852849 0.590814 O\n0.362087 0.362087 0.874095 O\n0.928601 0.928601 0.741539 O\n0.508353 0.508353 0.499837 O\n0.837836 0.837836 0.003882 O\n0.073986 0.073986 0.258363 O\n0.638970 0.638970 0.125780 O\n0.153228 0.153228 0.409913 O\n0.095731 0.095731 0.587853 O\n0.269773 0.269773 0.146130 O\n0.046154 0.046154 0.860370 O\n0.755560 0.755560 0.270176 O\n0.626685 0.626685 0.705543 O\n",
"nsites": 30,
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"formula_full": "Na2 Ti9 O19",
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{
"id": "mp-1218748",
"created_at": "2022-09-04T14:41:10.646111Z",
"structure_string": "Sr4 La2 Mn2 Co2 O14\n1.0\n-3.881398 -3.909293 -0.001482\n-1.941435 1.959196 10.138822\n-3.882665 3.910627 0.001578\nSr La Mn Co O\n4 2 2 2 14\ndirect\n0.999917 0.005251 0.497577 Sr\n0.499875 0.005549 0.997373 Sr\n0.000007 0.363481 0.318214 Sr\n0.500062 0.364454 0.817722 Sr\n0.499867 0.637238 0.180997 La\n0.000259 0.636603 0.681727 La\n0.499901 0.198542 0.400838 Mn\n0.000169 0.196335 0.902022 Mn\n0.000026 0.811344 0.094265 Co\n0.500093 0.814709 0.592522 Co\n0.000153 0.601364 0.199211 O\n0.499959 0.605957 0.697057 O\n0.500034 0.396019 0.301861 O\n0.000032 0.394745 0.802625 O\n0.499684 0.999702 0.500574 O\n0.999793 0.008338 0.996099 O\n0.755584 0.797506 0.855782 O\n0.244933 0.797468 0.346147 O\n0.745670 0.794829 0.356845 O\n0.254110 0.795378 0.847868 O\n0.748868 0.194046 0.652494 O\n0.251084 0.194047 0.153556 O\n0.748614 0.193519 0.154028 O\n0.251303 0.193579 0.652598 O\n",
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"elements": [
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"chemical_system": "Co-La-Mn-O-Sr",
"density": 5.8273073602347525,
"density_atomic": 0.07798233826970799,
"volume": 307.7619949916625,
"volume_molar": 7.722441893409194,
"formula_full": "Sr4 La2 Mn2 Co2 O14",
"formula_reduced": "Sr2LaMnCoO7",
"formula_anonymous": "ABCD2E7",
"energy": -181.82932817,
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{
"id": "mp-778467",
"created_at": "2022-09-04T14:41:10.651486Z",
"structure_string": "Fe10 O6 F14\n1.0\n4.784099 -0.007487 0.004717\n-0.005086 4.788798 -0.002183\n-0.025948 0.009687 15.746703\nFe O F\n10 6 14\ndirect\n0.974739 0.952901 0.993341 Fe\n0.027999 0.026803 0.198790 Fe\n0.027756 0.011664 0.405531 Fe\n0.024431 0.970215 0.600398 Fe\n0.026661 0.971589 0.799870 Fe\n0.500965 0.493946 0.099707 Fe\n0.471050 0.510677 0.492921 Fe\n0.483501 0.472956 0.297630 Fe\n0.486971 0.513863 0.700126 Fe\n0.488598 0.519815 0.906600 Fe\n0.203789 0.798718 0.507216 O\n0.185843 0.812972 0.700656 O\n0.172372 0.814365 0.899638 O\n0.327743 0.318943 0.196265 O\n0.318825 0.315897 0.397589 O\n0.684866 0.686051 0.009209 O\n0.195935 0.797302 0.095153 F\n0.220427 0.802745 0.298727 F\n0.279676 0.287786 0.008288 F\n0.297349 0.301333 0.595235 F\n0.291238 0.301008 0.803317 F\n0.711358 0.702414 0.200578 F\n0.702614 0.700439 0.396678 F\n0.697012 0.700563 0.593653 F\n0.699121 0.712819 0.800728 F\n0.801739 0.191361 0.092753 F\n0.793474 0.212182 0.510354 F\n0.809517 0.210261 0.301162 F\n0.794785 0.189753 0.898294 F\n0.799644 0.198654 0.699591 F\n",
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"formula_full": "Fe10 O6 F14",
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{
"id": "mp-705039",
"created_at": "2022-09-04T14:41:10.729506Z",
"structure_string": "K12 Cr4 C20 N24 O4\n1.0\n8.667313 0.000000 0.000000\n0.000000 10.572689 0.000000\n0.000000 0.000000 13.848315\nK Cr C N O\n12 4 20 24 4\ndirect\n0.500929 0.000000 0.000000 K\n0.499785 0.230854 0.749591 K\n0.999785 0.730854 0.250409 K\n0.249203 0.000000 0.500000 K\n0.749876 0.727049 0.750837 K\n0.499785 0.769146 0.250409 K\n0.999785 0.269146 0.749591 K\n0.249876 0.227049 0.249163 K\n0.749876 0.272951 0.249163 K\n0.000929 0.500000 0.000000 K\n0.749203 0.500000 0.500000 K\n0.249876 0.772951 0.750837 K\n0.750229 0.000000 0.500000 Cr\n0.999698 0.000000 0.000000 Cr\n0.250229 0.500000 0.500000 Cr\n0.499698 0.500000 0.000000 Cr\n0.916592 0.941677 0.598795 C\n0.667207 0.557670 0.098141 C\n0.416592 0.558323 0.598795 C\n0.332624 0.557882 0.098287 C\n0.832624 0.057882 0.901713 C\n0.167207 0.057670 0.901859 C\n0.332624 0.442118 0.901713 C\n0.083342 0.441746 0.401172 C\n0.750203 0.823208 0.435124 C\n0.167207 0.942330 0.098141 C\n0.416592 0.441677 0.401205 C\n0.916592 0.058323 0.401205 C\n0.667207 0.442330 0.901859 C\n0.750203 0.176792 0.564876 C\n0.583342 0.941746 0.598828 C\n0.250203 0.323208 0.564876 C\n0.583342 0.058254 0.401172 C\n0.250203 0.676792 0.435124 C\n0.832624 0.942118 0.098287 C\n0.083342 0.558254 0.598828 C\n0.009600 0.907509 0.654464 N\n0.999754 0.843863 0.943755 N\n0.737239 0.909845 0.153536 N\n0.250266 0.225085 0.604462 N\n0.509600 0.407509 0.345536 N\n0.237239 0.590155 0.153536 N\n0.499754 0.656137 0.943755 N\n0.750266 0.274915 0.604462 N\n0.009600 0.092491 0.345536 N\n0.263308 0.911272 0.153322 N\n0.999754 0.156137 0.056245 N\n0.763308 0.411272 0.846678 N\n0.490416 0.091432 0.345143 N\n0.990416 0.408568 0.345143 N\n0.750266 0.725085 0.395538 N\n0.263308 0.088728 0.846678 N\n0.509600 0.592491 0.654464 N\n0.490416 0.908568 0.654857 N\n0.737239 0.090155 0.846464 N\n0.250266 0.774915 0.395538 N\n0.499754 0.343863 0.056245 N\n0.237239 0.409845 0.846464 N\n0.990416 0.591432 0.654857 N\n0.763308 0.588728 0.153322 N\n0.499757 0.758272 0.901065 O\n0.999757 0.741728 0.901065 O\n0.499757 0.241728 0.098935 O\n0.999757 0.258272 0.098935 O\n",
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"formula_full": "K12 Cr4 C20 N24 O4",
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{
"id": "mp-755724",
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"structure_string": "Li3 V2 Ni1 O6\n1.0\n1.491909 6.384581 0.000000\n-1.491909 6.384581 0.000000\n0.000000 1.440512 5.763394\nLi V Ni O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.662415 0.662415 0.660051 Li\n0.337585 0.337585 0.339949 Li\n0.664925 0.664925 0.168384 V\n0.335075 0.335075 0.831616 V\n0.000000 0.000000 0.500000 Ni\n0.168340 0.168340 0.394687 O\n0.827749 0.827749 0.070513 O\n0.831660 0.831660 0.605313 O\n0.489577 0.489577 0.750880 O\n0.510423 0.510423 0.249120 O\n0.172251 0.172251 0.929487 O\n",
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{
"id": "mp-776966",
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"structure_string": "Sn16 N16 O8\n1.0\n8.804932 0.000000 0.000000\n-2.924024 8.353156 0.000000\n-2.950524 -4.164931 7.255770\nSn N O\n16 16 8\ndirect\n0.994463 0.496150 0.001617 Sn\n0.539609 0.755215 0.288022 Sn\n0.243976 0.210234 0.958984 Sn\n0.247049 0.718357 0.472447 Sn\n0.956977 0.243012 0.213979 Sn\n0.288487 0.532060 0.753261 Sn\n0.998095 0.999562 0.498703 Sn\n0.222451 0.981769 0.256384 Sn\n0.512590 0.508464 0.513661 Sn\n0.731287 0.473924 0.263403 Sn\n0.499956 0.002122 0.000185 Sn\n0.766768 0.023366 0.735827 Sn\n0.038361 0.758222 0.781689 Sn\n0.738177 0.277922 0.527557 Sn\n0.753510 0.787066 0.034582 Sn\n0.466735 0.253958 0.713057 Sn\n0.976832 0.506931 0.239867 N\n0.265327 0.760307 0.729336 N\n0.517613 0.755358 0.523530 N\n0.761878 0.718889 0.257786 N\n0.268908 0.003653 0.041215 N\n0.002511 0.038856 0.264157 N\n0.987398 0.960921 0.730036 N\n0.232487 0.274867 0.738454 N\n0.460926 0.237832 0.458197 N\n0.549991 0.550568 0.781114 N\n0.782622 0.546399 0.546377 N\n0.726069 0.996631 0.950835 N\n0.727691 0.228389 0.268037 N\n0.237679 0.959054 0.500546 N\n0.758622 0.037468 0.488669 N\n0.732054 0.270373 0.776891 N\n0.957447 0.721504 0.991070 O\n0.491825 0.769687 0.044488 O\n0.062524 0.287663 0.021305 O\n0.270571 0.730681 0.205881 O\n0.451089 0.449388 0.220673 O\n0.223196 0.439440 0.462820 O\n0.508181 0.237477 0.962686 O\n0.048070 0.496263 0.782676 O\n",
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{
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"structure_string": "K1 Rb3\n1.0\n7.019450 0.000000 0.000000\n0.000000 7.019450 0.000000\n0.000000 0.000000 7.019450\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
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