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{
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{
"id": "mp-27835",
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"structure_string": "K2 Os1 Br6\n1.0\n0.000000 5.265635 5.265635\n5.265635 0.000000 5.265635\n5.265635 5.265635 0.000000\nK Os Br\n2 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Os\n0.238074 0.238074 0.761926 Br\n0.238074 0.761926 0.761926 Br\n0.238074 0.761926 0.238074 Br\n0.761926 0.238074 0.238074 Br\n0.761926 0.238074 0.761926 Br\n0.761926 0.761926 0.238074 Br\n",
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{
"id": "mp-504139",
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"structure_string": "Li12 Ni8 P12 O48\n1.0\n6.597959 7.181859 0.000000\n-6.597959 7.181859 0.000000\n0.000000 0.950562 9.649676\nLi Ni P O\n12 8 12 48\ndirect\n0.249712 0.375611 0.197268 Li\n0.624389 0.750288 0.802732 Li\n0.981544 0.502383 0.242780 Li\n0.497617 0.018456 0.757220 Li\n0.444439 0.225402 0.520973 Li\n0.774598 0.555561 0.479027 Li\n0.757767 0.981038 0.601751 Li\n0.767626 0.733078 0.181211 Li\n0.018962 0.242233 0.398249 Li\n0.070631 0.701030 0.018313 Li\n0.266922 0.232374 0.818789 Li\n0.298970 0.929369 0.981687 Li\n0.467370 0.532630 0.500000 Ni\n0.250245 0.749755 0.500000 Ni\n0.746454 0.030169 0.214904 Ni\n0.969831 0.253546 0.785096 Ni\n0.035766 0.750287 0.717272 Ni\n0.249713 0.964234 0.282728 Ni\n0.751730 0.248270 0.000000 Ni\n0.533787 0.466213 0.000000 Ni\n0.050772 0.172743 0.097293 P\n0.162665 0.447798 0.572520 P\n0.449609 0.157104 0.072699 P\n0.948513 0.821052 0.405977 P\n0.660537 0.321113 0.699170 P\n0.827257 0.949228 0.902707 P\n0.347551 0.680340 0.801315 P\n0.552202 0.837335 0.427480 P\n0.319660 0.652449 0.198685 P\n0.842896 0.550391 0.927301 P\n0.178948 0.051487 0.594023 P\n0.678887 0.339463 0.300830 P\n0.800485 0.905371 0.058674 O\n0.109072 0.824346 0.372485 O\n0.910725 0.819898 0.564804 O\n0.593415 0.197140 0.652181 O\n0.377261 0.671322 0.639229 O\n0.085518 0.286019 0.187862 O\n0.594374 0.904634 0.553727 O\n0.409750 0.314790 0.072617 O\n0.713981 0.914482 0.812138 O\n0.610371 0.122970 0.075911 O\n0.884646 0.962269 0.348667 O\n0.890429 0.161982 0.124195 O\n0.461259 0.594651 0.138531 O\n0.672219 0.375747 0.139899 O\n0.303537 0.103681 0.657215 O\n0.838018 0.109571 0.875805 O\n0.687450 0.181685 0.337971 O\n0.115539 0.375613 0.712822 O\n0.818315 0.312550 0.662029 O\n0.399360 0.098569 0.943151 O\n0.624387 0.884461 0.287178 O\n0.175654 0.890928 0.627515 O\n0.970200 0.876162 0.863513 O\n0.128404 0.607743 0.582715 O\n0.685210 0.590250 0.927383 O\n0.191528 0.695107 0.844774 O\n0.037731 0.115354 0.651333 O\n0.095366 0.405626 0.446273 O\n0.123838 0.029800 0.136487 O\n0.896319 0.696463 0.342785 O\n0.901431 0.600640 0.056849 O\n0.197345 0.579374 0.155505 O\n0.328678 0.622739 0.360771 O\n0.321636 0.406838 0.561729 O\n0.405349 0.538741 0.861469 O\n0.624253 0.327781 0.860101 O\n0.386753 0.094884 0.210979 O\n0.877030 0.389629 0.924089 O\n0.537541 0.388384 0.371636 O\n0.420626 0.802655 0.844495 O\n0.611616 0.462459 0.628364 O\n0.593162 0.678364 0.438271 O\n0.180102 0.089275 0.435196 O\n0.905116 0.613247 0.789021 O\n0.392257 0.871596 0.417285 O\n0.304893 0.808472 0.155226 O\n0.094629 0.199515 0.941326 O\n0.802860 0.406585 0.347819 O\n",
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"volume": 914.5115907814991,
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"formula_full": "Li12 Ni8 P12 O48",
"formula_reduced": "Li3Ni2(PO4)3",
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"energy": -551.82510547,
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{
"id": "mp-1046822",
"created_at": "2022-09-04T14:41:53.866817Z",
"structure_string": "Mg4 Nb4 Mo2 O16\n1.0\n3.006574 9.747424 0.000000\n-3.006574 9.747424 0.000000\n0.000000 0.034551 5.336670\nMg Nb Mo O\n4 4 2 16\ndirect\n0.874680 0.576036 0.262813 Mg\n0.423964 0.125320 0.237187 Mg\n0.125320 0.423964 0.737187 Mg\n0.576036 0.874680 0.762813 Mg\n0.040220 0.721940 0.243515 Nb\n0.278060 0.959780 0.256485 Nb\n0.959780 0.278060 0.756485 Nb\n0.721940 0.040220 0.743515 Nb\n0.652940 0.347060 0.250000 Mo\n0.347060 0.652940 0.750000 Mo\n0.045780 0.813147 0.575067 O\n0.186853 0.954220 0.924933 O\n0.954220 0.186853 0.424933 O\n0.813147 0.045780 0.075067 O\n0.319623 0.562758 0.092831 O\n0.437242 0.680377 0.407169 O\n0.680377 0.437242 0.907169 O\n0.562758 0.319623 0.592831 O\n0.920391 0.710323 0.944030 O\n0.289677 0.079609 0.555970 O\n0.453091 0.158274 0.871343 O\n0.841726 0.546909 0.628657 O\n0.546909 0.841726 0.128657 O\n0.158274 0.453091 0.371343 O\n0.710323 0.920391 0.444030 O\n0.079609 0.289677 0.055970 O\n",
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"chemical_system": "Mg-Mo-Nb-O",
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"formula_full": "Mg4 Nb4 Mo2 O16",
"formula_reduced": "Mg2Nb2MoO8",
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"spacegroup": 15
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{
"id": "mp-1225614",
"created_at": "2022-09-04T14:41:53.862710Z",
"structure_string": "Dy2 Fe15 Si2 C1\n1.0\n4.212621 4.850286 0.000000\n-4.212621 4.850286 0.000000\n0.000000 1.142878 6.305405\nDy Fe Si C\n2 15 2 1\ndirect\n0.343732 0.343732 0.351922 Dy\n0.656268 0.656268 0.648078 Dy\n0.654748 0.654748 0.149271 Fe\n0.662437 0.152609 0.659019 Fe\n0.152609 0.662437 0.659019 Fe\n0.345252 0.345252 0.850730 Fe\n0.337563 0.847391 0.340981 Fe\n0.847391 0.337563 0.340981 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.719595 0.280405 0.000000 Fe\n0.301889 0.002689 0.698045 Fe\n0.997311 0.698111 0.301955 Fe\n0.698111 0.997311 0.301955 Fe\n0.002689 0.301889 0.698045 Fe\n0.280405 0.719595 0.000000 Fe\n0.102442 0.102442 0.100257 Si\n0.897558 0.897558 0.899743 Si\n0.500000 0.500000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:41:57.846023Z",
"structure_string": "Sm4 Cu4\n1.0\n4.516718 0.000000 0.000000\n0.000000 5.474341 0.000000\n0.000000 0.000000 7.224173\nSm Cu\n4 4\ndirect\n0.250000 0.630102 0.680197 Sm\n0.750000 0.130102 0.819803 Sm\n0.250000 0.869898 0.180197 Sm\n0.750000 0.369898 0.319803 Sm\n0.250000 0.120165 0.533393 Cu\n0.750000 0.620165 0.966607 Cu\n0.250000 0.379835 0.033393 Cu\n0.750000 0.879835 0.466607 Cu\n",
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"volume": 178.6252955526559,
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{
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"structure_string": "Li4 Ti3 V2 Co3 O16\n1.0\n5.912916 0.000000 0.000000\n-2.937201 5.132191 0.000000\n-0.061630 -0.076527 9.631366\nLi Ti V Co O\n4 3 2 3 16\ndirect\n0.328184 0.661840 0.095662 Li\n0.007419 0.011239 0.013874 Li\n0.995849 0.998828 0.505939 Li\n0.674156 0.332061 0.596494 Li\n0.168961 0.818280 0.776483 Ti\n0.654796 0.799460 0.779335 Ti\n0.813634 0.634601 0.263854 Ti\n0.331444 0.663608 0.498760 V\n0.650126 0.293044 0.011441 V\n0.174902 0.346047 0.793279 Co\n0.337887 0.168460 0.292788 Co\n0.824960 0.170817 0.290703 Co\n0.173112 0.818970 0.415312 O\n0.483521 0.965260 0.666248 O\n0.343210 0.680494 0.894012 O\n0.002733 0.008155 0.699006 O\n0.989136 0.986976 0.205992 O\n0.639605 0.816520 0.415296 O\n0.045759 0.534087 0.657495 O\n0.496323 0.531459 0.654198 O\n0.837153 0.671917 0.897722 O\n0.171818 0.350970 0.419517 O\n0.521423 0.490314 0.150323 O\n0.960217 0.495255 0.143363 O\n0.677103 0.353333 0.393740 O\n0.350961 0.178338 0.909163 O\n0.522238 0.044459 0.140881 O\n0.823068 0.175208 0.911279 O\n",
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{
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{
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{
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}