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{
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{
"id": "mp-1204704",
"created_at": "2022-09-04T14:45:35.181307Z",
"structure_string": "Na12 V4 P12 N4 O36\n1.0\n9.572551 0.000000 0.000000\n0.000000 9.572551 0.000000\n0.000000 0.000000 9.572551\nNa V P N O\n12 4 12 4 36\ndirect\n0.487632 0.987632 0.512368 Na\n0.987632 0.512368 0.487632 Na\n0.512368 0.487632 0.987632 Na\n0.012368 0.012368 0.012368 Na\n0.107446 0.607446 0.892554 Na\n0.607446 0.892554 0.107446 Na\n0.892554 0.107446 0.607446 Na\n0.392554 0.392554 0.392554 Na\n0.198764 0.301236 0.698764 Na\n0.301236 0.698764 0.198764 Na\n0.801236 0.801236 0.801236 Na\n0.698764 0.198764 0.301236 Na\n0.080288 0.919712 0.419712 V\n0.580288 0.580288 0.580288 V\n0.419712 0.080288 0.919712 V\n0.919712 0.419712 0.080288 V\n0.255119 0.667842 0.584999 P\n0.415001 0.755119 0.832158 P\n0.167842 0.915001 0.744881 P\n0.755119 0.832158 0.415001 P\n0.915001 0.744881 0.167842 P\n0.667842 0.584999 0.255119 P\n0.744881 0.167842 0.915001 P\n0.584999 0.255119 0.667842 P\n0.832158 0.415001 0.755119 P\n0.244881 0.332158 0.084999 P\n0.084999 0.244881 0.332158 P\n0.332158 0.084999 0.244881 P\n0.302918 0.802918 0.697082 N\n0.802918 0.697082 0.302918 N\n0.697082 0.302918 0.802918 N\n0.197082 0.197082 0.197082 N\n0.150835 0.728330 0.477663 O\n0.522337 0.650835 0.771670 O\n0.228330 0.022337 0.849165 O\n0.650835 0.771670 0.522337 O\n0.022337 0.849165 0.228330 O\n0.728330 0.477663 0.150835 O\n0.849165 0.228330 0.022337 O\n0.477663 0.150835 0.728330 O\n0.771670 0.522337 0.650835 O\n0.349165 0.271670 0.977663 O\n0.977663 0.349165 0.271670 O\n0.271670 0.977663 0.349165 O\n0.388512 0.627145 0.505058 O\n0.494942 0.888512 0.872855 O\n0.127145 0.994942 0.611488 O\n0.888512 0.872855 0.494942 O\n0.994942 0.611488 0.127145 O\n0.627145 0.505058 0.388512 O\n0.611488 0.127145 0.994942 O\n0.505058 0.388512 0.627145 O\n0.872855 0.494942 0.888512 O\n0.111488 0.372855 0.005058 O\n0.005058 0.111488 0.372855 O\n0.372855 0.005058 0.111488 O\n0.190763 0.549797 0.667849 O\n0.332151 0.690763 0.950203 O\n0.049797 0.832151 0.809237 O\n0.690763 0.950203 0.332151 O\n0.832151 0.809237 0.049797 O\n0.549797 0.667849 0.190763 O\n0.809237 0.049797 0.832151 O\n0.667849 0.190763 0.549797 O\n0.950203 0.332151 0.690763 O\n0.309237 0.450203 0.167849 O\n0.167849 0.309237 0.450203 O\n0.450203 0.167849 0.309237 O\n",
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"formula_full": "Na12 V4 P12 N4 O36",
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{
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"created_at": "2022-09-04T14:45:35.167642Z",
"structure_string": "Li24 Mg8 Ni8 O32\n1.0\n-5.166406 5.166406 7.119737\n5.166406 -5.166406 7.119737\n5.166406 5.166406 -7.119737\nLi Mg Ni O\n24 8 8 32\ndirect\n0.804936 0.137894 0.324339 Li\n0.311804 0.659558 0.336493 Li\n0.519403 0.195064 0.332958 Li\n0.024690 0.688196 0.347754 Li\n0.281276 0.945634 0.346359 Li\n0.599275 0.934917 0.653641 Li\n0.340442 0.676935 0.652246 Li\n0.862106 0.186445 0.667042 Li\n0.065083 0.718724 0.664358 Li\n0.695634 0.849275 0.164358 Li\n0.323065 0.975310 0.663507 Li\n0.813555 0.480597 0.675661 Li\n0.936445 0.769403 0.824339 Li\n0.426935 0.274690 0.836493 Li\n0.684917 0.531276 0.835642 Li\n0.054366 0.400725 0.335642 Li\n0.887894 0.063555 0.832958 Li\n0.409558 0.573065 0.847754 Li\n0.150725 0.315083 0.846359 Li\n0.468724 0.304366 0.153641 Li\n0.725310 0.561804 0.152246 Li\n0.230597 0.054936 0.167042 Li\n0.438196 0.590442 0.163507 Li\n0.945064 0.112106 0.175661 Li\n0.553337 0.898823 0.324172 Mg\n0.770835 0.446663 0.345486 Mg\n0.648823 0.824651 0.845486 Mg\n0.574651 0.229165 0.675828 Mg\n0.175349 0.020835 0.824172 Mg\n0.979165 0.803337 0.154514 Mg\n0.101177 0.425349 0.654514 Mg\n0.196663 0.351177 0.175828 Mg\n0.809505 0.812592 0.497116 Ni\n0.687611 0.190495 0.003087 Ni\n0.562592 0.565475 0.503087 Ni\n0.434525 0.937611 0.997116 Ni\n0.315475 0.312389 0.502884 Ni\n0.187408 0.684525 0.996913 Ni\n0.062389 0.059505 0.496913 Ni\n0.940495 0.437408 0.002884 Ni\n0.651445 0.730973 0.255940 O\n0.592838 0.018940 0.237748 O\n0.729547 0.653843 0.754638 O\n0.351131 0.771965 0.244198 O\n0.724909 0.979547 0.575704 O\n0.480973 0.725033 0.579528 O\n0.856933 0.601131 0.079165 O\n0.521965 0.777767 0.920835 O\n0.644910 0.407162 0.426102 O\n0.768940 0.031193 0.926102 O\n0.145504 0.901445 0.420472 O\n0.403843 0.149205 0.424296 O\n0.527767 0.106933 0.755802 O\n0.899205 0.974909 0.245362 O\n0.781193 0.355090 0.762252 O\n0.274967 0.854496 0.755940 O\n0.475033 0.395504 0.744060 O\n0.968807 0.894910 0.737748 O\n0.850795 0.275091 0.254638 O\n0.222233 0.143067 0.744198 O\n0.346157 0.100795 0.075704 O\n0.604496 0.348555 0.079528 O\n0.105090 0.842838 0.073898 O\n0.981060 0.218807 0.573898 O\n0.228035 0.472233 0.579165 O\n0.893067 0.648869 0.420835 O\n0.269027 0.524967 0.920472 O\n0.025091 0.270453 0.924296 O\n0.398869 0.478035 0.255802 O\n0.020453 0.596157 0.745362 O\n0.157162 0.231060 0.262252 O\n0.098555 0.519027 0.244060 O\n",
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"formula_full": "Li24 Mg8 Ni8 O32",
"formula_reduced": "Li3MgNiO4",
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"spacegroup": 88
},
{
"id": "mp-1179885",
"created_at": "2022-09-04T14:45:35.183969Z",
"structure_string": "Na2 Fe2 S4 O4\n1.0\n4.281751 5.158595 0.000000\n-4.281751 5.158595 0.000000\n0.000000 3.728436 5.392750\nNa Fe S O\n2 2 4 4\ndirect\n0.571173 0.428827 0.750000 Na\n0.428827 0.571173 0.250000 Na\n0.011322 0.988678 0.750000 Fe\n0.988678 0.011322 0.250000 Fe\n0.275558 0.041244 0.352098 S\n0.958756 0.724442 0.147902 S\n0.724442 0.958756 0.647902 S\n0.041244 0.275558 0.852098 S\n0.745210 0.575172 0.313008 O\n0.424828 0.254790 0.186992 O\n0.254790 0.424828 0.686992 O\n0.575172 0.745210 0.813008 O\n",
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],
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"density": 2.4391224249600008,
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"volume": 238.22817505847826,
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"formula_full": "Na2 Fe2 S4 O4",
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{
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"created_at": "2022-09-04T14:45:35.223467Z",
"structure_string": "Si8 O16\n1.0\n-4.940440 4.940440 5.092495\n4.940440 -4.940440 5.092495\n4.940440 4.940440 -5.092495\nSi O\n8 16\ndirect\n0.591257 0.408743 0.500000 Si\n0.158743 0.158743 0.317485 Si\n0.841257 0.841257 0.682515 Si\n0.908743 0.091257 0.500000 Si\n0.158743 0.841257 0.000000 Si\n0.591257 0.091257 0.182515 Si\n0.908743 0.408743 0.817485 Si\n0.841257 0.158743 0.000000 Si\n0.601030 0.285360 0.315670 O\n0.035360 0.219691 0.184330 O\n0.035360 0.851030 0.815670 O\n0.148970 0.964640 0.184330 O\n0.780309 0.964640 0.815670 O\n0.969691 0.285360 0.684330 O\n0.714640 0.030309 0.315670 O\n0.714640 0.398970 0.684330 O\n0.671719 0.625000 0.546719 O\n0.375000 0.328281 0.453281 O\n0.875000 0.921719 0.546719 O\n0.078281 0.125000 0.453281 O\n0.078281 0.625000 0.953281 O\n0.375000 0.921719 0.046719 O\n0.875000 0.328281 0.953281 O\n0.671719 0.125000 0.046719 O\n",
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{
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"structure_string": "Mg6 V1 B1\n1.0\n4.616600 -5.159369 0.000000\n4.616600 5.159369 0.000000\n0.000000 0.000000 3.323389\nMg V B\n6 1 1\ndirect\n0.791607 0.546402 0.000000 Mg\n0.453598 0.208393 0.000000 Mg\n0.333271 0.666729 0.000000 Mg\n0.631181 0.888607 0.500000 Mg\n0.111393 0.368819 0.500000 Mg\n0.088800 0.911200 0.500000 Mg\n0.854043 0.145957 0.000000 V\n0.736109 0.263891 0.500000 B\n",
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{
"id": "mp-1262288",
"created_at": "2022-09-04T14:45:35.234193Z",
"structure_string": "Mg4 Si8\n1.0\n4.877811 -0.144839 -1.796419\n0.873872 3.171364 -0.998628\n0.502658 0.194453 12.878680\nMg Si\n4 8\ndirect\n0.142419 0.870368 0.863052 Mg\n0.171742 0.100064 0.105951 Mg\n0.491891 0.637844 0.297961 Mg\n0.170481 0.625298 0.625252 Mg\n0.612517 0.357218 0.082122 Si\n0.747306 0.663198 0.951970 Si\n0.742640 0.380002 0.670359 Si\n0.133095 0.416199 0.388401 Si\n0.554447 0.103432 0.800699 Si\n0.884675 0.881703 0.235265 Si\n0.839990 0.126323 0.459436 Si\n0.508558 0.838599 0.519714 Si\n",
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{
"id": "mp-558169",
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"structure_string": "Na8 Ca8 Al8 F48\n1.0\n5.260669 0.000000 0.000000\n0.000000 8.860526 0.000000\n0.000000 0.607872 20.588801\nNa Ca Al F\n8 8 8 48\ndirect\n0.758166 0.976328 0.317791 Na\n0.258166 0.023672 0.182209 Na\n0.241834 0.023672 0.682209 Na\n0.208174 0.041627 0.937502 Na\n0.291826 0.041627 0.437502 Na\n0.741834 0.976328 0.817791 Na\n0.708174 0.958373 0.562498 Na\n0.791826 0.958373 0.062498 Na\n0.760102 0.637810 0.688594 Ca\n0.812076 0.633900 0.935758 Ca\n0.187924 0.366100 0.064242 Ca\n0.239898 0.362190 0.311406 Ca\n0.739898 0.637810 0.188594 Ca\n0.312076 0.366100 0.564242 Ca\n0.260102 0.362190 0.811406 Ca\n0.687924 0.633900 0.435758 Ca\n0.752135 0.256371 0.180470 Al\n0.252135 0.743629 0.319530 Al\n0.190938 0.744720 0.571981 Al\n0.690938 0.255280 0.928019 Al\n0.809062 0.255280 0.428019 Al\n0.747865 0.256371 0.680470 Al\n0.309062 0.744720 0.071981 Al\n0.247865 0.743629 0.819530 Al\n0.521250 0.756397 0.872864 F\n0.461005 0.254964 0.730319 F\n0.909793 0.392966 0.734044 F\n0.590128 0.734538 0.018850 F\n0.716712 0.080400 0.466762 F\n0.863357 0.095053 0.725175 F\n0.126496 0.625878 0.017227 F\n0.136643 0.904947 0.274825 F\n0.508916 0.840138 0.131556 F\n0.056008 0.846419 0.880272 F\n0.090128 0.265462 0.481150 F\n0.978750 0.756397 0.372864 F\n0.909872 0.734538 0.518850 F\n0.038995 0.254964 0.230319 F\n0.636643 0.095053 0.225175 F\n0.098247 0.567210 0.613823 F\n0.535237 0.234106 0.372981 F\n0.464763 0.765894 0.627019 F\n0.021250 0.243603 0.627136 F\n0.626496 0.374122 0.482773 F\n0.991084 0.840138 0.631556 F\n0.409872 0.265462 0.981150 F\n0.877304 0.428708 0.136777 F\n0.373504 0.625878 0.517227 F\n0.873504 0.374122 0.982773 F\n0.556008 0.153581 0.619728 F\n0.478750 0.243603 0.127136 F\n0.035237 0.765894 0.127019 F\n0.622696 0.428708 0.636777 F\n0.901753 0.432790 0.386177 F\n0.122696 0.571292 0.863223 F\n0.598247 0.432790 0.886177 F\n0.409793 0.607034 0.765956 F\n0.216712 0.919600 0.033238 F\n0.961005 0.745036 0.769681 F\n0.538995 0.745036 0.269681 F\n0.377304 0.571292 0.363223 F\n0.943992 0.153581 0.119728 F\n0.363357 0.904947 0.774825 F\n0.283288 0.919600 0.533238 F\n0.401753 0.567210 0.113823 F\n0.590207 0.392966 0.234044 F\n0.964763 0.234106 0.872981 F\n0.783288 0.080400 0.966762 F\n0.491084 0.159862 0.868444 F\n0.090207 0.607034 0.265956 F\n0.443992 0.846419 0.380272 F\n0.008916 0.159862 0.368444 F\n",
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"formula_full": "Na8 Ca8 Al8 F48",
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{
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