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{
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{
"id": "mp-1233511",
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"structure_string": "Mg1 V4 P4 O20\n1.0\n4.847631 -0.151203 1.811862\n1.176743 9.568625 3.428840\n-0.041262 0.017280 7.421348\nMg V P O\n1 4 4 20\ndirect\n0.259428 0.695123 0.569313 Mg\n0.016563 0.502793 0.032547 V\n0.985561 0.760996 0.246378 V\n0.465712 0.254566 0.771655 V\n0.950170 0.024164 0.489747 V\n0.595829 0.051152 0.187336 P\n0.373129 0.447686 0.320398 P\n0.345707 0.943942 0.787429 P\n0.684998 0.544683 0.703918 P\n0.287157 0.080917 0.297840 O\n0.159086 0.401519 0.257547 O\n0.058590 0.838740 0.397520 O\n0.271691 0.846765 0.000603 O\n0.278352 0.597236 0.343543 O\n0.294536 0.098536 0.788470 O\n0.385193 0.348527 0.529252 O\n0.204224 0.326918 0.921870 O\n0.770324 0.096807 0.284428 O\n0.178004 0.910900 0.669923 O\n0.657177 0.435239 0.165579 O\n0.385964 0.582061 0.828979 O\n0.840456 0.156875 0.581971 O\n0.645466 0.139963 0.966475 O\n0.918438 0.576493 0.764964 O\n0.671771 0.895631 0.201138 O\n0.690017 0.646125 0.491728 O\n0.924522 0.654705 0.094619 O\n0.655841 0.913468 0.675602 O\n0.721099 0.389969 0.709589 O\n",
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{
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"structure_string": "Mg4 V4 P8 O28\n1.0\n6.566310 -0.035103 0.618347\n1.176242 5.815823 9.423339\n-0.482238 -5.791657 3.977397\nMg V P O\n4 4 8 28\ndirect\n0.845802 0.217561 0.917606 Mg\n0.845769 0.717552 0.417570 Mg\n0.154233 0.782449 0.082429 Mg\n0.154198 0.282440 0.582392 Mg\n0.668727 0.940784 0.829954 V\n0.331272 0.559216 0.670047 V\n0.668921 0.440733 0.330003 V\n0.331078 0.059264 0.169995 V\n0.160411 0.493620 0.263944 P\n0.160459 0.993630 0.763988 P\n0.839540 0.506371 0.736011 P\n0.839589 0.006380 0.236055 P\n0.622123 0.666325 0.025000 P\n0.622151 0.166305 0.525017 P\n0.377849 0.333695 0.974983 P\n0.377877 0.833675 0.475003 P\n0.757942 0.542080 0.942631 O\n0.757989 0.042064 0.442682 O\n0.242013 0.457936 0.057317 O\n0.242059 0.957921 0.557370 O\n0.011035 0.411108 0.337273 O\n0.011096 0.911128 0.837363 O\n0.988900 0.588873 0.662634 O\n0.988964 0.088892 0.162725 O\n0.601343 0.325365 0.050980 O\n0.601383 0.825345 0.551003 O\n0.398618 0.674655 0.948999 O\n0.398658 0.174635 0.449019 O\n0.355696 0.365204 0.759471 O\n0.355723 0.865239 0.259501 O\n0.644277 0.634760 0.240501 O\n0.644304 0.134795 0.740528 O\n0.934237 0.370314 0.765174 O\n0.934245 0.870317 0.265188 O\n0.065757 0.629683 0.234811 O\n0.065764 0.129687 0.734826 O\n0.651204 0.529761 0.601045 O\n0.651282 0.029825 0.101077 O\n0.348717 0.470175 0.398923 O\n0.348793 0.970237 0.898956 O\n0.269211 0.231358 0.037123 O\n0.269247 0.731322 0.537104 O\n0.730752 0.768679 0.962899 O\n0.730791 0.268641 0.462879 O\n",
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"formula_full": "Mg4 V4 P8 O28",
"formula_reduced": "MgVP2O7",
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},
{
"id": "mp-1048245",
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"structure_string": "Mg4 V4 P8 O28\n1.0\n8.552021 0.000000 0.000000\n0.000000 7.106865 0.000000\n0.000000 3.621255 8.438280\nMg V P O\n4 4 8 28\ndirect\n0.941474 0.697948 0.181700 Mg\n0.441474 0.302052 0.318300 Mg\n0.558526 0.697948 0.681700 Mg\n0.058526 0.302052 0.818300 Mg\n0.073812 0.236654 0.390113 V\n0.926188 0.763346 0.609887 V\n0.573812 0.763346 0.109887 V\n0.426188 0.236654 0.890113 V\n0.733974 0.060989 0.757498 P\n0.223683 0.531629 0.031474 P\n0.766026 0.060989 0.257498 P\n0.276317 0.531629 0.531474 P\n0.233974 0.939011 0.742502 P\n0.723683 0.468371 0.468526 P\n0.776317 0.468371 0.968526 P\n0.266026 0.939011 0.242502 P\n0.175167 0.749469 0.900177 O\n0.611125 0.113904 0.309857 O\n0.888875 0.113904 0.809857 O\n0.384532 0.544088 0.102563 O\n0.824833 0.250531 0.099823 O\n0.100526 0.973719 0.622122 O\n0.615468 0.455912 0.897437 O\n0.090709 0.489956 0.152793 O\n0.273784 0.378679 0.450529 O\n0.899474 0.026281 0.377878 O\n0.399474 0.973719 0.122122 O\n0.762450 0.882036 0.202237 O\n0.262450 0.117964 0.297763 O\n0.324833 0.749469 0.400177 O\n0.600526 0.026281 0.877878 O\n0.111125 0.886096 0.190143 O\n0.237550 0.117964 0.797763 O\n0.909291 0.510044 0.847207 O\n0.226216 0.378679 0.950529 O\n0.773784 0.621321 0.049471 O\n0.884532 0.455912 0.397437 O\n0.409291 0.489956 0.652793 O\n0.590709 0.510044 0.347207 O\n0.388875 0.886096 0.690143 O\n0.737550 0.882036 0.702237 O\n0.115468 0.544088 0.602563 O\n0.726216 0.621321 0.549471 O\n0.675167 0.250531 0.599823 O\n",
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},
{
"id": "mp-1392236",
"created_at": "2022-09-04T14:42:07.497646Z",
"structure_string": "Mg2 V2 P2 O10\n1.0\n5.306659 0.000000 0.000000\n-1.062258 5.346935 0.000000\n-1.762739 -2.272304 6.435445\nMg V P O\n2 2 2 10\ndirect\n0.784149 0.634285 0.237251 Mg\n0.175453 0.325508 0.707247 Mg\n0.500335 0.004055 0.494352 V\n0.502062 0.996880 0.993106 V\n0.171038 0.353799 0.251828 P\n0.837839 0.659301 0.738694 P\n0.391238 0.342280 0.143883 O\n0.188371 0.180363 0.394516 O\n0.630969 0.664672 0.859233 O\n0.823659 0.850982 0.611200 O\n0.789868 0.370934 0.590275 O\n0.130352 0.709718 0.884936 O\n0.197697 0.644108 0.383359 O\n0.882100 0.278434 0.093261 O\n0.409642 0.098610 0.748194 O\n0.598506 0.907869 0.243165 O\n",
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},
{
"id": "mp-1042040",
"created_at": "2022-09-04T14:40:36.497087Z",
"structure_string": "Mg4 V4 P8 O28\n1.0\n2.010085 6.205957 0.981375\n-5.124878 0.174899 7.076719\n5.614967 -0.009511 7.869511\nMg V P O\n4 4 8 28\ndirect\n0.652318 0.167563 0.484520 Mg\n0.652397 0.667620 0.984566 Mg\n0.347620 0.832387 0.515466 Mg\n0.347629 0.332434 0.015423 Mg\n0.160153 0.425781 0.735454 V\n0.839915 0.574106 0.264751 V\n0.160440 0.926002 0.235502 V\n0.839605 0.074122 0.764489 V\n0.684902 0.936805 0.153192 P\n0.684746 0.436810 0.653246 P\n0.315114 0.063178 0.846775 P\n0.315316 0.563186 0.346782 P\n0.188746 0.189684 0.409557 P\n0.188702 0.689643 0.909579 P\n0.811243 0.810345 0.590423 P\n0.811227 0.310341 0.090422 P\n0.686244 0.409097 0.503728 O\n0.686303 0.909148 0.003682 O\n0.313730 0.590867 0.496306 O\n0.313705 0.090882 0.996273 O\n0.850447 0.851573 0.221165 O\n0.850269 0.351511 0.721205 O\n0.149591 0.148467 0.778780 O\n0.149780 0.648514 0.278778 O\n0.461333 0.900296 0.275060 O\n0.461187 0.400354 0.775030 O\n0.538662 0.099670 0.724921 O\n0.538872 0.599627 0.225003 O\n0.653161 0.906599 0.521301 O\n0.653170 0.406612 0.021295 O\n0.346784 0.093375 0.478688 O\n0.346839 0.593391 0.978682 O\n0.211797 0.186734 0.247399 O\n0.211704 0.686684 0.747457 O\n0.788233 0.813328 0.752559 O\n0.788251 0.313276 0.252559 O\n0.250040 0.371630 0.399341 O\n0.249967 0.871652 0.899309 O\n0.749994 0.628358 0.600678 O\n0.749922 0.128365 0.100666 O\n0.045692 0.853837 0.483289 O\n0.045670 0.353802 0.983249 O\n0.954280 0.146209 0.516655 O\n0.954297 0.646131 0.016794 O\n",
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{
"id": "mp-1045828",
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"structure_string": "Mg2 V2 P8 O24\n1.0\n4.211871 6.005250 0.000000\n-4.211871 6.005250 0.000000\n0.000000 4.945569 8.964556\nMg V P O\n2 2 8 24\ndirect\n0.956243 0.043757 0.250000 Mg\n0.043757 0.956243 0.750000 Mg\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.702562 0.687705 0.306563 P\n0.312295 0.297438 0.193437 P\n0.297438 0.312295 0.693437 P\n0.687705 0.702562 0.806563 P\n0.747551 0.271766 0.520686 P\n0.728234 0.252449 0.979314 P\n0.252449 0.728234 0.479314 P\n0.271766 0.747551 0.020686 P\n0.465537 0.688414 0.354135 O\n0.311586 0.534463 0.145865 O\n0.534463 0.311586 0.645865 O\n0.688414 0.465537 0.854135 O\n0.785759 0.497887 0.432906 O\n0.502113 0.214241 0.067094 O\n0.214241 0.502114 0.567094 O\n0.497887 0.785759 0.932906 O\n0.800779 0.656821 0.157845 O\n0.343179 0.199221 0.342155 O\n0.199221 0.343179 0.842155 O\n0.656821 0.800779 0.657845 O\n0.721973 0.875136 0.325100 O\n0.124864 0.278027 0.174900 O\n0.278027 0.124864 0.674900 O\n0.875136 0.721973 0.825100 O\n0.720954 0.188371 0.416179 O\n0.811629 0.279046 0.083821 O\n0.279046 0.811629 0.583821 O\n0.188371 0.720954 0.916179 O\n0.905579 0.157015 0.596319 O\n0.842985 0.094421 0.903681 O\n0.094421 0.842985 0.403681 O\n0.157015 0.905579 0.096319 O\n",
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"formula_full": "Mg2 V2 P8 O24",
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"spacegroup": 15
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{
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"structure_string": "Mg2 V4 P4 O20\n1.0\n0.000000 5.677660 8.053277\n3.609713 0.000000 8.053277\n3.609713 5.677660 0.000000\nMg V P O\n2 4 4 20\ndirect\n0.997867 0.502133 0.502133 Mg\n0.747867 0.252133 0.252133 Mg\n0.390315 0.350107 0.877575 V\n0.382003 0.877575 0.350107 V\n0.899893 0.859685 0.867997 V\n0.372425 0.867997 0.859685 V\n0.962282 0.453365 0.037163 P\n0.796635 0.287718 0.702810 P\n0.547190 0.037163 0.453365 P\n0.212837 0.702810 0.287718 P\n0.446996 0.249809 0.583011 O\n0.337500 0.827662 0.657614 O\n0.412242 0.617619 0.307457 O\n0.666989 0.529817 0.803004 O\n0.757608 0.947525 0.215221 O\n0.350289 0.122681 0.426857 O\n0.422338 0.912500 0.072776 O\n0.177224 0.657614 0.827662 O\n0.592386 0.072776 0.912500 O\n0.302475 0.492392 0.170353 O\n0.720183 0.583011 0.249809 O\n0.034779 0.170353 0.492392 O\n0.079647 0.215221 0.947525 O\n0.127319 0.899711 0.149827 O\n0.100173 0.426857 0.122681 O\n0.823143 0.149827 0.899711 O\n0.942543 0.587318 0.837758 O\n0.662682 0.307457 0.617619 O\n0.000191 0.803004 0.529817 O\n0.632381 0.837758 0.587318 O\n",
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{
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