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{
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{
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{
"id": "mp-1021694",
"created_at": "2022-09-04T14:39:45.660821Z",
"structure_string": "Mg12 V2 Si2\n1.0\n4.968027 0.000000 0.000000\n0.000000 5.909586 0.000000\n0.000000 0.000000 10.787940\nMg V Si\n12 2 2\ndirect\n0.500000 0.249323 0.418131 Mg\n0.500000 0.750677 0.418131 Mg\n0.000000 0.753202 0.084796 Mg\n0.000000 0.246798 0.084796 Mg\n0.000000 0.000000 0.327556 Mg\n0.000000 0.500000 0.329610 Mg\n0.500000 0.749323 0.918131 Mg\n0.500000 0.250677 0.918131 Mg\n0.000000 0.253202 0.584796 Mg\n0.000000 0.746798 0.584796 Mg\n0.000000 0.500000 0.827556 Mg\n0.000000 0.000000 0.829610 Mg\n0.500000 0.000000 0.169057 V\n0.500000 0.500000 0.669057 V\n0.500000 0.500000 0.167919 Si\n0.500000 0.000000 0.667919 Si\n",
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"elements": [
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{
"id": "mp-1186965",
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"structure_string": "Rb3 Ce1\n1.0\n7.475373 0.000000 0.000000\n0.000000 7.475373 0.000000\n0.000000 0.000000 7.475373\nRb Ce\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ce\n",
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{
"id": "mp-1210704",
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"structure_string": "Mg4 Ta8 O18\n1.0\n2.637596 -4.568450 0.000000\n2.637596 4.568450 0.000000\n0.000000 0.000000 14.089681\nMg Ta O\n4 8 18\ndirect\n0.000000 0.000000 0.651449 Mg\n0.000000 0.000000 0.348551 Mg\n0.000000 0.000000 0.848551 Mg\n0.000000 0.000000 0.151449 Mg\n0.333333 0.666667 0.508978 Ta\n0.666667 0.333333 0.491022 Ta\n0.666667 0.333333 0.991022 Ta\n0.333333 0.666667 0.008978 Ta\n0.333333 0.666667 0.820223 Ta\n0.666667 0.333333 0.179777 Ta\n0.666667 0.333333 0.679777 Ta\n0.333333 0.666667 0.320223 Ta\n0.341673 0.331279 0.588188 O\n0.658327 0.668721 0.411812 O\n0.668721 0.010395 0.588188 O\n0.331279 0.341673 0.911812 O\n0.331279 0.989605 0.411812 O\n0.668721 0.658327 0.088188 O\n0.989605 0.658327 0.588188 O\n0.010395 0.668721 0.911812 O\n0.010395 0.341673 0.411812 O\n0.989605 0.331279 0.088188 O\n0.658327 0.989605 0.911812 O\n0.341673 0.010395 0.088188 O\n0.314097 0.000000 0.750000 O\n0.685903 0.000000 0.250000 O\n0.000000 0.314097 0.750000 O\n0.000000 0.685903 0.250000 O\n0.685903 0.685903 0.750000 O\n0.314097 0.314097 0.250000 O\n",
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"formula_full": "Mg4 Ta8 O18",
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{
"id": "mp-728420",
"created_at": "2022-09-04T14:39:45.702248Z",
"structure_string": "Mo8 H20 C20 N12 O56\n1.0\n7.734786 0.000000 0.000000\n0.000000 12.266236 0.000000\n0.000000 0.000000 18.321563\nMo H C N O\n8 20 20 12 56\ndirect\n0.703996 0.470774 0.330902 Mo\n0.203996 0.029226 0.169098 Mo\n0.296004 0.529226 0.830902 Mo\n0.796004 0.970774 0.669098 Mo\n0.296004 0.529226 0.669098 Mo\n0.796004 0.970774 0.830902 Mo\n0.703996 0.470774 0.169098 Mo\n0.203996 0.029226 0.330902 Mo\n0.202001 0.418948 0.250000 H\n0.702001 0.081052 0.250000 H\n0.797999 0.581052 0.750000 H\n0.297999 0.918948 0.750000 H\n0.553767 0.718854 0.459414 H\n0.053767 0.781146 0.040586 H\n0.446233 0.281146 0.959414 H\n0.946233 0.218854 0.540586 H\n0.446233 0.281146 0.540586 H\n0.946233 0.218854 0.959414 H\n0.553767 0.718854 0.040586 H\n0.053767 0.781146 0.459414 H\n0.590801 0.211094 0.346807 H\n0.090801 0.288906 0.153193 H\n0.409199 0.788906 0.846807 H\n0.909199 0.711094 0.653193 H\n0.409199 0.788906 0.653193 H\n0.909199 0.711094 0.846807 H\n0.590801 0.211094 0.153193 H\n0.090801 0.288906 0.346807 H\n0.344871 0.427502 0.250000 C\n0.844871 0.072498 0.250000 C\n0.655129 0.572498 0.750000 C\n0.155129 0.927502 0.750000 C\n0.622083 0.245658 0.401185 C\n0.122083 0.254342 0.098815 C\n0.377917 0.754342 0.901185 C\n0.877917 0.745658 0.598815 C\n0.377917 0.754342 0.598815 C\n0.877917 0.745658 0.901185 C\n0.622083 0.245658 0.098815 C\n0.122083 0.254342 0.401185 C\n0.629165 0.689343 0.411721 C\n0.129165 0.810657 0.088279 C\n0.370835 0.310657 0.911721 C\n0.870835 0.189343 0.588279 C\n0.370835 0.310657 0.588279 C\n0.870835 0.189343 0.911721 C\n0.629165 0.689343 0.088279 C\n0.129165 0.810657 0.411721 C\n0.772611 0.453384 0.554555 N\n0.272611 0.046616 0.945445 N\n0.227389 0.546616 0.054555 N\n0.727389 0.953384 0.445445 N\n0.227389 0.546616 0.445445 N\n0.727389 0.953384 0.054555 N\n0.772611 0.453384 0.945445 N\n0.272611 0.046616 0.554555 N\n0.564079 0.225269 0.750000 N\n0.064079 0.274731 0.750000 N\n0.435921 0.774731 0.250000 N\n0.935921 0.725269 0.250000 N\n0.728242 0.368384 0.250000 O\n0.228242 0.131616 0.250000 O\n0.271758 0.631616 0.750000 O\n0.771758 0.868384 0.750000 O\n0.661768 0.568243 0.250000 O\n0.161768 0.931757 0.250000 O\n0.338232 0.431757 0.750000 O\n0.838232 0.068243 0.750000 O\n0.607429 0.585235 0.397711 O\n0.107429 0.914765 0.102289 O\n0.392571 0.414765 0.897711 O\n0.892571 0.085235 0.602289 O\n0.392571 0.414765 0.602289 O\n0.892571 0.085235 0.897711 O\n0.607429 0.585235 0.102289 O\n0.107429 0.914765 0.397711 O\n0.681413 0.346962 0.398835 O\n0.181413 0.153038 0.101165 O\n0.318587 0.653038 0.898835 O\n0.818587 0.846962 0.601165 O\n0.318587 0.653038 0.601165 O\n0.818587 0.846962 0.898835 O\n0.681413 0.346962 0.101165 O\n0.181413 0.153038 0.398835 O\n0.417300 0.431691 0.312293 O\n0.917300 0.068309 0.187707 O\n0.582700 0.568309 0.812293 O\n0.082700 0.931691 0.687707 O\n0.582700 0.568309 0.687707 O\n0.082700 0.931691 0.812293 O\n0.417300 0.431691 0.187707 O\n0.917300 0.068309 0.312293 O\n0.918705 0.494459 0.346611 O\n0.418705 0.005541 0.153389 O\n0.081295 0.505541 0.846611 O\n0.581295 0.994459 0.653389 O\n0.081295 0.505541 0.653389 O\n0.581295 0.994459 0.846611 O\n0.918705 0.494459 0.153389 O\n0.418705 0.005541 0.346611 O\n0.720827 0.752193 0.376079 O\n0.220827 0.747807 0.123921 O\n0.279173 0.247807 0.876079 O\n0.779173 0.252193 0.623921 O\n0.279173 0.247807 0.623921 O\n0.779173 0.252193 0.876079 O\n0.720827 0.752193 0.123921 O\n0.220827 0.747807 0.376079 O\n0.605290 0.195171 0.458483 O\n0.105290 0.304829 0.041517 O\n0.394710 0.804829 0.958483 O\n0.894710 0.695171 0.541517 O\n0.394710 0.804829 0.541517 O\n0.894710 0.695171 0.958483 O\n0.605290 0.195171 0.041517 O\n0.105290 0.304829 0.458483 O\n",
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{
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"structure_string": "La2 Si2 Pt2\n1.0\n-2.138904 2.138904 7.347094\n2.138904 -2.138904 7.347094\n2.138904 2.138904 -7.347094\nLa Si Pt\n2 2 2\ndirect\n0.580187 0.580187 0.000000 La\n0.330187 0.830187 0.500000 La\n0.999694 0.999694 0.000000 Si\n0.749694 0.249694 0.500000 Si\n0.167119 0.167119 0.000000 Pt\n0.917119 0.417119 0.500000 Pt\n",
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{
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"structure_string": "Sb4 P16 O48\n1.0\n8.356968 0.000000 0.000000\n0.000000 9.670421 0.000000\n0.000000 0.000000 13.143194\nSb P O\n4 16 48\ndirect\n0.640010 0.250000 0.000000 Sb\n0.859990 0.750000 0.500000 Sb\n0.359990 0.750000 0.000000 Sb\n0.140010 0.250000 0.500000 Sb\n0.826324 0.002526 0.137567 P\n0.534662 0.511586 0.156341 P\n0.965338 0.011586 0.343659 P\n0.965338 0.488414 0.656341 P\n0.673676 0.997474 0.637567 P\n0.173676 0.502526 0.137567 P\n0.326324 0.497474 0.637567 P\n0.465338 0.011586 0.156341 P\n0.673676 0.502526 0.362433 P\n0.826324 0.497474 0.862433 P\n0.534662 0.988414 0.843659 P\n0.173676 0.997474 0.862433 P\n0.326324 0.002526 0.362433 P\n0.465338 0.488414 0.843659 P\n0.034662 0.511586 0.343659 P\n0.034662 0.988414 0.656341 P\n0.315532 0.125910 0.436000 O\n0.408970 0.875756 0.393042 O\n0.145405 0.528762 0.678904 O\n0.546546 0.622946 0.074829 O\n0.645405 0.528762 0.821096 O\n0.315532 0.374090 0.564000 O\n0.953454 0.122946 0.425171 O\n0.591030 0.375756 0.393042 O\n0.629113 0.380198 0.133119 O\n0.453454 0.377054 0.925171 O\n0.546546 0.877054 0.925171 O\n0.098685 0.925717 0.759882 O\n0.401315 0.425717 0.740118 O\n0.145405 0.971238 0.321096 O\n0.184468 0.874090 0.936000 O\n0.901315 0.425717 0.759882 O\n0.908970 0.875756 0.106958 O\n0.091030 0.375756 0.106958 O\n0.401315 0.074283 0.259882 O\n0.815532 0.374090 0.936000 O\n0.591030 0.124244 0.606958 O\n0.629113 0.119802 0.866881 O\n0.870887 0.880198 0.366881 O\n0.645405 0.971238 0.178904 O\n0.598685 0.574283 0.259882 O\n0.354595 0.028762 0.821096 O\n0.046546 0.622946 0.425171 O\n0.370887 0.880198 0.133119 O\n0.408970 0.624244 0.606958 O\n0.953454 0.377054 0.574829 O\n0.854595 0.028762 0.678904 O\n0.598685 0.925717 0.740118 O\n0.684468 0.874090 0.564000 O\n0.091030 0.124244 0.893042 O\n0.046546 0.877054 0.574829 O\n0.815532 0.125910 0.064000 O\n0.129113 0.119802 0.633119 O\n0.453454 0.122946 0.074829 O\n0.098685 0.574283 0.240118 O\n0.854595 0.471238 0.321096 O\n0.184468 0.625910 0.064000 O\n0.870887 0.619802 0.633119 O\n0.354595 0.471238 0.178904 O\n0.901315 0.074283 0.240118 O\n0.908970 0.624244 0.893042 O\n0.129113 0.380198 0.366881 O\n0.684468 0.625910 0.436000 O\n0.370887 0.619802 0.866881 O\n",
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{
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},
{
"id": "mp-1018637",
"created_at": "2022-09-04T14:39:43.690752Z",
"structure_string": "Tb1 Cu2 S2\n1.0\n1.976977 -3.424224 0.000000\n1.976977 3.424224 0.000000\n0.000000 0.000000 6.371887\nTb Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333333 0.671491 Cu\n0.333333 0.666667 0.328509 Cu\n0.666667 0.333333 0.270514 S\n0.333333 0.666667 0.729486 S\n",
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],
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{
"id": "mp-1076177",
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"structure_string": "Sr24 Ca8 Mn12 Fe20 O80\n1.0\n0.020252 -0.014809 11.147744\n11.306333 0.009063 0.021139\n-5.650961 15.792247 -5.604977\nSr Ca Mn Fe O\n24 8 12 20 80\ndirect\n0.307736 0.059009 0.608323 Sr\n0.307941 0.559191 0.608926 Sr\n0.807958 0.059736 0.609147 Sr\n0.808615 0.558697 0.610014 Sr\n0.195660 0.435362 0.389156 Sr\n0.199748 0.441794 0.893365 Sr\n0.197494 0.937888 0.389006 Sr\n0.697386 0.438158 0.389704 Sr\n0.700571 0.442144 0.893427 Sr\n0.697630 0.939301 0.389217 Sr\n0.700536 0.940906 0.893641 Sr\n0.056559 0.293998 0.109766 Sr\n0.057982 0.299444 0.608603 Sr\n0.058527 0.800942 0.609939 Sr\n0.557506 0.299499 0.608179 Sr\n0.557024 0.800176 0.110211 Sr\n0.557915 0.800298 0.608428 Sr\n0.445727 0.198798 0.387773 Sr\n0.450035 0.202226 0.893514 Sr\n0.443976 0.699126 0.386855 Sr\n0.449432 0.702017 0.893607 Sr\n0.946162 0.197726 0.386062 Sr\n0.950001 0.201399 0.893222 Sr\n0.945578 0.701549 0.388173 Sr\n0.301775 0.063200 0.104115 Ca\n0.300390 0.563978 0.105476 Ca\n0.804549 0.061643 0.105774 Ca\n0.800605 0.566722 0.104566 Ca\n0.202837 0.939577 0.898101 Ca\n0.056596 0.788675 0.103941 Ca\n0.553795 0.288323 0.103979 Ca\n0.953596 0.709131 0.897865 Ca\n0.113845 0.095160 0.753746 Mn\n0.110713 0.602322 0.753527 Mn\n0.606889 0.095473 0.246784 Mn\n0.613345 0.096570 0.752028 Mn\n0.615979 0.598274 0.751794 Mn\n0.359038 0.401286 0.246298 Mn\n0.363367 0.405402 0.752177 Mn\n0.352202 0.904273 0.244715 Mn\n0.360165 0.905071 0.753327 Mn\n0.864183 0.408711 0.753588 Mn\n0.861045 0.899468 0.246843 Mn\n0.866316 0.900038 0.752215 Mn\n0.007597 0.000171 0.003104 Fe\n0.003282 0.000141 0.499267 Fe\n0.005509 0.502576 0.002922 Fe\n0.003007 0.500162 0.500072 Fe\n0.505239 0.001771 0.002988 Fe\n0.502742 0.000254 0.499224 Fe\n0.507614 0.502841 0.006359 Fe\n0.503121 0.500785 0.499375 Fe\n0.256149 0.251907 0.003123 Fe\n0.253803 0.249936 0.500200 Fe\n0.254317 0.752155 0.002296 Fe\n0.252653 0.749935 0.499976 Fe\n0.756705 0.252602 0.005374 Fe\n0.752841 0.249721 0.499262 Fe\n0.757630 0.752565 0.003415 Fe\n0.753821 0.750053 0.500175 Fe\n0.106772 0.082577 0.243963 Fe\n0.103984 0.588340 0.245708 Fe\n0.604719 0.584315 0.244468 Fe\n0.850965 0.407006 0.244284 Fe\n0.124446 0.123655 0.493346 O\n0.127789 0.117610 0.990366 O\n0.122852 0.621902 0.492051 O\n0.121399 0.625538 0.991355 O\n0.624839 0.123863 0.495117 O\n0.626910 0.126616 0.998400 O\n0.624318 0.623507 0.492723 O\n0.627391 0.622264 0.994256 O\n0.136576 0.383347 0.012806 O\n0.129436 0.375860 0.503841 O\n0.134177 0.878952 0.011538 O\n0.129286 0.875730 0.503537 O\n0.636587 0.381085 0.017058 O\n0.629605 0.377060 0.504203 O\n0.636186 0.881279 0.010567 O\n0.628405 0.875317 0.502264 O\n0.374051 0.121435 0.493458 O\n0.375097 0.120895 0.994829 O\n0.373464 0.621836 0.493163 O\n0.374940 0.620866 0.997314 O\n0.875111 0.121900 0.494989 O\n0.876227 0.119517 0.995334 O\n0.873409 0.620007 0.491282 O\n0.879503 0.624618 0.995669 O\n0.387805 0.384158 0.016525 O\n0.379827 0.378294 0.504142 O\n0.379443 0.885288 0.009740 O\n0.379816 0.877825 0.504294 O\n0.882360 0.387240 0.014606 O\n0.878965 0.377385 0.502559 O\n0.887979 0.882561 0.013897 O\n0.880046 0.878258 0.504698 O\n0.096709 0.095156 0.138737 O\n0.078752 0.080404 0.637777 O\n0.091320 0.603593 0.140280 O\n0.070564 0.583227 0.635965 O\n0.580078 0.091562 0.135599 O\n0.575255 0.082766 0.636265 O\n0.592989 0.600882 0.140276 O\n0.575604 0.584549 0.635796 O\n0.438502 0.419435 0.361565 O\n0.441010 0.415169 0.867340 O\n0.433469 0.921344 0.360337 O\n0.444391 0.916815 0.867365 O\n0.935498 0.407348 0.355519 O\n0.939994 0.412466 0.867150 O\n0.939292 0.919516 0.363089 O\n0.944894 0.906604 0.866543 O\n0.327143 0.288707 0.136018 O\n0.325266 0.303078 0.636299 O\n0.324847 0.790859 0.135375 O\n0.320830 0.803501 0.636862 O\n0.835233 0.281087 0.141101 O\n0.829044 0.308133 0.637631 O\n0.828662 0.789531 0.135496 O\n0.825609 0.801323 0.635254 O\n0.190330 0.195050 0.355578 O\n0.192125 0.205346 0.866899 O\n0.185382 0.700922 0.356632 O\n0.193532 0.709191 0.867102 O\n0.682598 0.195115 0.362379 O\n0.690165 0.201026 0.867571 O\n0.688221 0.697764 0.355207 O\n0.697263 0.700876 0.866594 O\n0.430211 0.058750 0.238986 O\n0.440987 0.061351 0.751418 O\n0.430282 0.556457 0.238939 O\n0.444701 0.564087 0.752264 O\n0.934218 0.056552 0.239041 O\n0.942291 0.062098 0.752123 O\n0.924994 0.559026 0.238521 O\n0.940996 0.575475 0.760205 O\n0.181894 0.436352 0.248149 O\n0.191690 0.443118 0.752022 O\n0.174244 0.922251 0.240542 O\n0.190400 0.933603 0.760008 O\n0.673315 0.424469 0.240081 O\n0.691511 0.436392 0.750928 O\n0.690801 0.940852 0.248555 O\n0.695243 0.938660 0.752022 O\n",
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],
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{
"id": "mp-510315",
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"structure_string": "Ce2 Ge4 Ir4\n1.0\n4.263104 0.000000 0.000000\n0.000000 4.263104 0.000000\n0.000000 0.000000 10.215604\nCe Ge Ir\n2 4 4\ndirect\n0.500000 0.000000 0.256514 Ce\n0.000000 0.500000 0.743486 Ce\n0.500000 0.000000 0.868387 Ge\n0.000000 0.500000 0.131613 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.371543 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.628457 Ir\n",
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]
}