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{
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{
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{
"id": "mp-726543",
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"structure_string": "Na3 Cr1 H14 C6 O16\n1.0\n6.508760 0.000000 0.000000\n1.442325 7.622635 0.000000\n1.164112 1.550810 8.618533\nNa Cr H C O\n3 1 14 6 16\ndirect\n0.000000 0.500000 0.500000 Na\n0.290663 0.553398 0.125726 Na\n0.709337 0.446602 0.874274 Na\n0.000000 0.000000 0.000000 Cr\n0.050443 0.257893 0.257651 H\n0.949557 0.742107 0.742349 H\n0.892369 0.438193 0.219304 H\n0.107631 0.561807 0.780696 H\n0.431313 0.347433 0.576585 H\n0.568687 0.652567 0.423415 H\n0.379116 0.274580 0.435585 H\n0.620884 0.725420 0.564415 H\n0.401641 0.153849 0.950036 H\n0.598359 0.846151 0.049964 H\n0.305948 0.969717 0.708173 H\n0.694052 0.030283 0.291827 H\n0.203002 0.951839 0.415726 H\n0.796998 0.048161 0.584274 H\n0.276607 0.268171 0.918821 C\n0.723393 0.731829 0.081179 C\n0.367349 0.856380 0.796707 C\n0.632651 0.143620 0.203293 C\n0.180369 0.892570 0.315749 C\n0.819631 0.107430 0.684251 C\n0.091741 0.235299 0.914876 O\n0.908259 0.764701 0.085124 O\n0.322071 0.423195 0.888513 O\n0.677929 0.576805 0.111487 O\n0.272969 0.848322 0.935860 O\n0.727031 0.151678 0.064140 O\n0.522851 0.745813 0.760475 O\n0.477149 0.254187 0.239525 O\n0.101850 0.010651 0.204528 O\n0.898150 0.989349 0.795472 O\n0.231748 0.728251 0.321402 O\n0.768252 0.271749 0.678598 O\n0.019944 0.383070 0.271921 O\n0.980056 0.616930 0.728079 O\n0.319887 0.303742 0.538772 O\n0.680113 0.696258 0.461228 O\n",
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"formula_full": "Na3 Cr1 H14 C6 O16",
"formula_reduced": "Na3CrH14(C3O8)2",
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{
"id": "mp-1291746",
"created_at": "2022-09-04T14:47:05.331787Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n6.025307 -0.039481 0.091998\n0.029435 7.002879 4.947282\n0.098759 -3.506229 4.953834\nMg Mn O\n4 8 16\ndirect\n0.985557 0.007013 0.990395 Mg\n0.482793 0.501978 0.496485 Mg\n0.746016 0.623877 0.000329 Mg\n0.250134 0.126707 0.497365 Mg\n0.500167 0.879265 0.755117 Mn\n0.501114 0.874052 0.250412 Mn\n0.252691 0.620371 0.999980 Mn\n0.515191 0.244415 0.005278 Mn\n0.016557 0.745583 0.505652 Mn\n0.999914 0.371699 0.247902 Mn\n0.001042 0.375090 0.749564 Mn\n0.748484 0.128523 0.499649 Mn\n0.229127 0.367781 0.026056 O\n0.748065 0.899901 0.525475 O\n0.261646 0.878862 0.978655 O\n0.755667 0.359047 0.470657 O\n0.792648 0.380387 0.009159 O\n0.292681 0.885851 0.504704 O\n0.005251 0.601930 0.227575 O\n0.509869 0.134852 0.712664 O\n0.010624 0.601702 0.775161 O\n0.523875 0.104683 0.278593 O\n0.486463 0.645018 0.233700 O\n0.978361 0.146238 0.721318 O\n0.490355 0.617244 0.779991 O\n0.990928 0.140317 0.270196 O\n0.716481 0.868579 0.998802 O\n0.208302 0.369032 0.489165 O\n",
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"density": 4.199439069401153,
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"volume": 313.45467951703233,
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"formula_full": "Mg4 Mn8 O16",
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"spacegroup": 1
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{
"id": "mp-1178209",
"created_at": "2022-09-04T14:47:05.354806Z",
"structure_string": "Fe2 Sb2 O8\n1.0\n0.000001 -0.000002 5.571850\n2.750869 5.006031 -0.000002\n-2.954317 4.723550 -0.000003\nFe Sb O\n2 2 8\ndirect\n0.499998 0.000005 0.499998 Fe\n0.999999 0.000001 0.000000 Fe\n0.249996 0.500000 0.500000 Sb\n0.750008 0.500000 0.000000 Sb\n0.250014 0.102508 0.698731 O\n0.749985 0.102508 0.198767 O\n0.250014 0.897491 0.301270 O\n0.749985 0.897491 0.801234 O\n0.000000 0.416863 0.791567 O\n0.500000 0.416852 0.291573 O\n0.500000 0.583147 0.708428 O\n0.000000 0.583135 0.208433 O\n",
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"formula_full": "Fe2 Sb2 O8",
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{
"id": "mp-26766",
"created_at": "2022-09-04T14:47:05.362613Z",
"structure_string": "V12 P14 O48\n1.0\n26.638829 0.000000 0.000000\n0.000000 5.287082 0.000000\n0.000000 1.892482 6.252767\nV P O\n12 14 48\ndirect\n0.452039 0.180858 0.309378 V\n0.047961 0.180858 0.309378 V\n0.313963 0.109715 0.725397 V\n0.186037 0.109715 0.725397 V\n0.901152 0.205373 0.912866 V\n0.598848 0.205373 0.912866 V\n0.401152 0.794627 0.087134 V\n0.098848 0.794627 0.087134 V\n0.813963 0.890285 0.274603 V\n0.686037 0.890285 0.274603 V\n0.952039 0.819142 0.690622 V\n0.547961 0.819142 0.690622 V\n0.331965 0.240232 0.196435 P\n0.168035 0.240232 0.196435 P\n0.891269 0.330639 0.379625 P\n0.608731 0.330639 0.379625 P\n0.750000 0.463773 0.091331 P\n0.476786 0.290558 0.795722 P\n0.023214 0.290558 0.795722 P\n0.976786 0.709442 0.204278 P\n0.523214 0.709442 0.204278 P\n0.250000 0.536227 0.908669 P\n0.391269 0.669361 0.620375 P\n0.108731 0.669361 0.620375 P\n0.831965 0.759768 0.803565 P\n0.668035 0.759768 0.803565 P\n0.336105 0.053431 0.052737 O\n0.163895 0.053431 0.052737 O\n0.450493 0.127606 0.002339 O\n0.049507 0.127606 0.002339 O\n0.876899 0.156906 0.234834 O\n0.623101 0.156906 0.234834 O\n0.750000 0.169046 0.205120 O\n0.307328 0.117595 0.408559 O\n0.192672 0.117595 0.408559 O\n0.479223 0.136746 0.629622 O\n0.020777 0.136746 0.629622 O\n0.904679 0.155517 0.606869 O\n0.595321 0.155517 0.606869 O\n0.381910 0.388498 0.205546 O\n0.118090 0.388498 0.205546 O\n0.297319 0.487229 0.060227 O\n0.202681 0.487229 0.060227 O\n0.945656 0.443665 0.291668 O\n0.554344 0.443665 0.291668 O\n0.250000 0.344091 0.773224 O\n0.472342 0.592267 0.164798 O\n0.027658 0.592267 0.164798 O\n0.855755 0.551534 0.372066 O\n0.644245 0.551534 0.372066 O\n0.355755 0.448466 0.627934 O\n0.144245 0.448466 0.627934 O\n0.972342 0.407733 0.835202 O\n0.527658 0.407733 0.835202 O\n0.750000 0.655909 0.226776 O\n0.445656 0.556335 0.708332 O\n0.054344 0.556335 0.708332 O\n0.797319 0.512771 0.939773 O\n0.702681 0.512771 0.939773 O\n0.881910 0.611502 0.794454 O\n0.618090 0.611502 0.794454 O\n0.404679 0.844483 0.393131 O\n0.095321 0.844483 0.393131 O\n0.979223 0.863254 0.370378 O\n0.520777 0.863254 0.370378 O\n0.807328 0.882405 0.591441 O\n0.692672 0.882405 0.591441 O\n0.250000 0.830954 0.794880 O\n0.376899 0.843094 0.765166 O\n0.123101 0.843094 0.765166 O\n0.950493 0.872394 0.997661 O\n0.549507 0.872394 0.997661 O\n0.836105 0.946569 0.947263 O\n0.663895 0.946569 0.947263 O\n",
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{
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"structure_string": "Pt4 Pb2 O8\n1.0\n5.702165 -0.005742 -0.686268\n-2.420461 5.072258 -2.683494\n0.027203 -0.027161 6.770899\nPt Pb O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.857200 0.248088 0.144104 Pb\n0.142800 0.751912 0.855896 Pb\n0.518498 0.862031 0.723317 O\n0.481502 0.137969 0.276683 O\n0.834561 0.831840 0.158580 O\n0.165439 0.168160 0.841420 O\n0.870216 0.655224 0.495135 O\n0.129784 0.344776 0.504865 O\n0.367770 0.603709 0.275085 O\n0.632230 0.396291 0.724915 O\n",
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{
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}