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{
"id": "mp-672993",
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"structure_string": "Li2 Bi4 P10 O36\n1.0\n6.834096 0.000000 0.000000\n-0.427899 9.780526 0.000000\n-0.537523 -1.144305 11.026493\nLi Bi P O\n2 4 10 36\ndirect\n0.868049 0.784883 0.302884 Li\n0.131951 0.215117 0.697116 Li\n0.235750 0.356879 0.398606 Bi\n0.331901 0.766501 0.948081 Bi\n0.668099 0.233499 0.051919 Bi\n0.764250 0.643121 0.601394 Bi\n0.777857 0.993192 0.593489 P\n0.727806 0.417326 0.346727 P\n0.222143 0.006808 0.406511 P\n0.169369 0.272067 0.095716 P\n0.482955 0.045635 0.791600 P\n0.517045 0.954365 0.208400 P\n0.830631 0.727933 0.904284 P\n0.157801 0.573388 0.173659 P\n0.842199 0.426612 0.826341 P\n0.272194 0.582674 0.653273 P\n0.359201 0.929661 0.102223 O\n0.016208 0.340872 0.816062 O\n0.983792 0.659128 0.183938 O\n0.214584 0.430627 0.597897 O\n0.560859 0.360736 0.421828 O\n0.989675 0.180346 0.047564 O\n0.271012 0.915314 0.505319 O\n0.221176 0.157383 0.472630 O\n0.665583 0.415784 0.210971 O\n0.383714 0.168390 0.755542 O\n0.595500 0.978693 0.678195 O\n0.785416 0.569373 0.402103 O\n0.907265 0.327921 0.363474 O\n0.338601 0.261054 0.009892 O\n0.661399 0.738946 0.990108 O\n0.404500 0.021307 0.321805 O\n0.040558 0.955801 0.329929 O\n0.439141 0.639264 0.578172 O\n0.682506 0.380663 0.910063 O\n0.745063 0.758157 0.779074 O\n0.616286 0.831610 0.244458 O\n0.919643 0.578527 0.889878 O\n0.778824 0.842617 0.527370 O\n0.254937 0.241843 0.220926 O\n0.259837 0.548151 0.297769 O\n0.640799 0.070339 0.897777 O\n0.959442 0.044199 0.670071 O\n0.334417 0.584216 0.789029 O\n0.317494 0.619337 0.089937 O\n0.080357 0.421473 0.110122 O\n0.668599 0.068666 0.180605 O\n0.010325 0.819654 0.952436 O\n0.740163 0.451849 0.702231 O\n0.331401 0.931334 0.819395 O\n0.092735 0.672079 0.636526 O\n0.728988 0.084686 0.494681 O\n",
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"formula_full": "Li2 Bi4 P10 O36",
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{
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"structure_string": "Nd6 Np2\n1.0\n3.673930 -6.363433 0.000000\n3.673930 6.363433 0.000000\n0.000000 0.000000 5.950058\nNd Np\n6 2\ndirect\n0.830657 0.169343 0.750000 Nd\n0.338686 0.169343 0.750000 Nd\n0.830657 0.661314 0.750000 Nd\n0.169343 0.830657 0.250000 Nd\n0.661314 0.830657 0.250000 Nd\n0.169343 0.338686 0.250000 Nd\n0.666667 0.333333 0.250000 Np\n0.333333 0.666667 0.750000 Np\n",
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{
"id": "mp-1221437",
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"structure_string": "Na1 Nb6 Te8\n1.0\n5.373513 -9.307197 0.000000\n5.373513 9.307197 0.000000\n0.000000 0.000000 3.706173\nNa Nb Te\n1 6 8\ndirect\n0.000000 0.000000 0.500000 Na\n0.510603 0.898685 0.250936 Nb\n0.388082 0.489397 0.250936 Nb\n0.101315 0.611918 0.250936 Nb\n0.489397 0.101315 0.749064 Nb\n0.611918 0.510603 0.749064 Nb\n0.898685 0.388082 0.749064 Nb\n0.667255 0.728717 0.248196 Te\n0.061462 0.332745 0.248196 Te\n0.271283 0.938538 0.248196 Te\n0.332745 0.271283 0.751804 Te\n0.938538 0.667255 0.751804 Te\n0.728717 0.061462 0.751804 Te\n0.666667 0.333333 0.249673 Te\n0.333333 0.666667 0.750327 Te\n",
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{
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"structure_string": "Li3 Co1 Ni3 O8\n1.0\n5.075196 1.498479 -2.460702\n1.631659 -5.526265 0.000000\n1.631659 -2.522254 -4.917096\nLi Co Ni O\n3 1 3 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.216506 0.228314 0.011809 O\n0.216506 0.228314 0.543371 O\n0.216506 0.759877 0.011809 O\n0.218275 0.739425 0.521151 O\n0.781725 0.260575 0.478849 O\n0.783494 0.240123 0.988191 O\n0.783494 0.771686 0.456629 O\n0.783494 0.771686 0.988191 O\n",
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"formula_full": "Li3 Co1 Ni3 O8",
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{
"id": "mp-768579",
"created_at": "2022-09-04T14:39:09.837465Z",
"structure_string": "Na4 Mn2 B2 P2 O14\n1.0\n6.395467 0.000000 0.000000\n0.000000 5.335801 0.000000\n0.000000 0.347862 9.096092\nNa Mn B P O\n4 2 2 2 14\ndirect\n0.995820 0.762334 0.774724 Na\n0.504180 0.762334 0.774724 Na\n0.495820 0.237666 0.225276 Na\n0.004180 0.237666 0.225276 Na\n0.250000 0.220001 0.655410 Mn\n0.750000 0.779999 0.344590 Mn\n0.250000 0.272058 0.918564 B\n0.750000 0.727942 0.081436 B\n0.750000 0.280433 0.567349 P\n0.250000 0.719567 0.432651 P\n0.750000 0.696875 0.939499 O\n0.250000 0.044046 0.845697 O\n0.250000 0.463248 0.805288 O\n0.941831 0.208425 0.664972 O\n0.558169 0.208425 0.664972 O\n0.250000 0.867534 0.574897 O\n0.750000 0.568567 0.530643 O\n0.250000 0.431433 0.469357 O\n0.750000 0.132466 0.425103 O\n0.441831 0.791575 0.335028 O\n0.058169 0.791575 0.335028 O\n0.750000 0.536752 0.194712 O\n0.750000 0.955954 0.154303 O\n0.250000 0.303125 0.060501 O\n",
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{
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{
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"structure_string": "V16 Bi12\n1.0\n2.113569 -6.940265 0.000000\n2.113569 6.940265 0.000000\n0.000000 0.000000 20.394288\nV Bi\n16 12\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.101155 0.898845 0.750000 V\n0.898845 0.101155 0.250000 V\n0.706096 0.293904 0.169328 V\n0.293904 0.706096 0.830672 V\n0.293904 0.706096 0.669328 V\n0.706096 0.293904 0.330672 V\n0.539695 0.460305 0.094797 V\n0.460305 0.539695 0.905203 V\n0.460305 0.539695 0.594797 V\n0.539695 0.460305 0.405203 V\n0.601450 0.398550 0.983729 V\n0.398550 0.601450 0.016271 V\n0.398550 0.601450 0.483729 V\n0.601450 0.398550 0.516271 V\n0.462766 0.537234 0.750000 Bi\n0.537234 0.462766 0.250000 Bi\n0.735439 0.264561 0.750000 Bi\n0.264561 0.735439 0.250000 Bi\n0.899209 0.100791 0.116445 Bi\n0.100791 0.899209 0.883555 Bi\n0.100791 0.899209 0.616445 Bi\n0.899209 0.100791 0.383555 Bi\n0.815987 0.184013 0.928902 Bi\n0.184013 0.815987 0.071098 Bi\n0.184013 0.815987 0.428902 Bi\n0.815987 0.184013 0.571098 Bi\n",
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{
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{
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"structure_string": "Mg4 Fe2 Ir2 O12\n1.0\n5.140021 0.000019 -0.019152\n0.000022 5.321160 0.000435\n-0.013280 0.000620 7.583000\nMg Fe Ir O\n4 2 2 12\ndirect\n0.010914 0.940206 0.247814 Mg\n0.489066 0.440194 0.252213 Mg\n0.510933 0.559805 0.747787 Mg\n0.989086 0.059793 0.752186 Mg\n0.000002 0.500006 0.999993 Fe\n0.500003 0.000002 0.500005 Fe\n0.999999 0.499999 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.134338 0.430446 0.745620 O\n0.182226 0.184908 0.069855 O\n0.176944 0.188521 0.427291 O\n0.323077 0.688567 0.072702 O\n0.317756 0.684919 0.430157 O\n0.365678 0.930462 0.754394 O\n0.634322 0.069537 0.245606 O\n0.682243 0.315081 0.569843 O\n0.676922 0.311433 0.927298 O\n0.817774 0.815090 0.930145 O\n0.823056 0.811478 0.572710 O\n0.865661 0.569553 0.254379 O\n",
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{
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"structure_string": "Os1 Rh2 N10 Cl10\n1.0\n4.387573 5.184365 0.000000\n-4.387573 5.184365 0.000000\n0.000000 3.127441 12.555435\nOs Rh N Cl\n1 2 10 10\ndirect\n0.000000 0.000000 0.500000 Os\n0.334148 0.334148 0.738273 Rh\n0.665852 0.665852 0.261727 Rh\n0.151752 0.486283 0.667110 N\n0.486283 0.151752 0.667110 N\n0.848248 0.513717 0.332890 N\n0.513717 0.848248 0.332890 N\n0.120453 0.412855 0.884029 N\n0.412855 0.120453 0.884029 N\n0.879547 0.587145 0.115971 N\n0.587145 0.879547 0.115971 N\n0.531942 0.531942 0.725999 N\n0.468058 0.468058 0.274001 N\n0.222613 0.222613 0.489709 Cl\n0.777387 0.777387 0.510291 Cl\n0.959420 0.959420 0.683195 Cl\n0.040580 0.040580 0.316805 Cl\n0.264482 0.735518 0.500000 Cl\n0.735518 0.264482 0.500000 Cl\n0.234008 0.234008 0.952042 Cl\n0.765992 0.765992 0.047958 Cl\n0.580419 0.580419 0.837797 Cl\n0.419581 0.419581 0.162203 Cl\n",
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{
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],
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"density": 6.156723618315564,
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"formula_full": "Ba1 Cu1 O2",
"formula_reduced": "BaCuO2",
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{
"id": "mp-1093824",
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"structure_string": "Ba2 Ag1 Pd1\n1.0\n-6.174833 6.793814 9.603085\n6.174833 -6.793814 9.603085\n6.174833 6.793814 -9.603085\nBa Ag Pd\n2 1 1\ndirect\n0.000000 0.230742 0.230742 Ba\n0.000000 0.769258 0.769258 Ba\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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]
}