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{
"id": "mp-510706",
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"structure_string": "Er8 Si18 Ir26\n1.0\n3.951377 0.000000 0.000000\n0.000000 11.006826 0.000000\n0.000000 0.000000 19.004731\nEr Si Ir\n8 18 26\ndirect\n0.500000 0.690880 0.207933 Er\n0.000000 0.809120 0.792067 Er\n0.000000 0.190880 0.792067 Er\n0.500000 0.309120 0.207933 Er\n0.500000 0.000000 0.519364 Er\n0.000000 0.500000 0.480636 Er\n0.500000 0.500000 0.021940 Er\n0.000000 0.000000 0.978060 Er\n0.000000 0.000000 0.397732 Si\n0.500000 0.500000 0.602268 Si\n0.500000 0.318558 0.414589 Si\n0.000000 0.181442 0.585411 Si\n0.000000 0.818558 0.585411 Si\n0.500000 0.681442 0.414589 Si\n0.000000 0.687824 0.080493 Si\n0.500000 0.812176 0.919507 Si\n0.500000 0.187824 0.919507 Si\n0.000000 0.312176 0.080493 Si\n0.500000 0.000000 0.102088 Si\n0.000000 0.500000 0.897912 Si\n0.500000 0.373430 0.729388 Si\n0.000000 0.126570 0.270612 Si\n0.000000 0.873430 0.270612 Si\n0.500000 0.626570 0.729388 Si\n0.500000 0.000000 0.732390 Si\n0.000000 0.500000 0.267610 Si\n0.000000 0.683839 0.335095 Ir\n0.500000 0.816161 0.664905 Ir\n0.500000 0.183839 0.664905 Ir\n0.000000 0.316161 0.335095 Ir\n0.000000 0.500000 0.142104 Ir\n0.500000 0.000000 0.857896 Ir\n0.500000 0.500000 0.342905 Ir\n0.000000 0.000000 0.657095 Ir\n0.000000 0.500000 0.772620 Ir\n0.500000 0.000000 0.227380 Ir\n0.500000 0.688779 0.538906 Ir\n0.000000 0.811221 0.461094 Ir\n0.000000 0.188779 0.461094 Ir\n0.500000 0.311221 0.538906 Ir\n0.000000 0.700398 0.953337 Ir\n0.500000 0.799602 0.046663 Ir\n0.500000 0.200398 0.046663 Ir\n0.000000 0.299602 0.953337 Ir\n0.000000 0.875081 0.143435 Ir\n0.500000 0.624919 0.856565 Ir\n0.500000 0.375081 0.856565 Ir\n0.000000 0.124919 0.143435 Ir\n0.500000 0.872249 0.355534 Ir\n0.000000 0.627751 0.644466 Ir\n0.000000 0.372249 0.644466 Ir\n0.500000 0.127751 0.355534 Ir\n",
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{
"id": "mp-1215880",
"created_at": "2022-09-04T14:40:42.413673Z",
"structure_string": "Zr32 As20\n1.0\n3.734931 0.000000 0.000000\n0.000000 10.212681 0.000000\n0.000000 0.000000 28.800934\nZr As\n32 20\ndirect\n0.500000 0.257940 0.417986 Zr\n0.500000 0.241115 0.582863 Zr\n0.500000 0.742060 0.917986 Zr\n0.500000 0.758885 0.082863 Zr\n0.500000 0.573984 0.380664 Zr\n0.500000 0.924039 0.618915 Zr\n0.500000 0.426016 0.880664 Zr\n0.500000 0.075961 0.118915 Zr\n0.500000 0.255026 0.235837 Zr\n0.500000 0.244840 0.765358 Zr\n0.500000 0.744974 0.735837 Zr\n0.500000 0.755160 0.265358 Zr\n0.500000 0.411386 0.126467 Zr\n0.500000 0.085205 0.873552 Zr\n0.500000 0.588614 0.626467 Zr\n0.500000 0.914795 0.373552 Zr\n0.000000 0.663360 0.170962 Zr\n0.000000 0.839386 0.829882 Zr\n0.000000 0.336640 0.670962 Zr\n0.000000 0.160614 0.329882 Zr\n0.000000 0.251466 0.500579 Zr\n0.000000 0.748534 0.000579 Zr\n0.500000 0.476404 0.007525 Zr\n0.500000 0.020227 0.993284 Zr\n0.500000 0.523596 0.507525 Zr\n0.500000 0.979773 0.493284 Zr\n0.000000 0.502042 0.283320 Zr\n0.000000 0.996538 0.716551 Zr\n0.000000 0.497958 0.783320 Zr\n0.000000 0.003462 0.216551 Zr\n0.000000 0.754180 0.443763 Zr\n0.000000 0.245820 0.943763 Zr\n0.000000 0.464004 0.439760 As\n0.000000 0.038045 0.561528 As\n0.000000 0.535996 0.939760 As\n0.000000 0.961955 0.061528 As\n0.000000 0.558248 0.076702 As\n0.000000 0.946267 0.925230 As\n0.000000 0.441752 0.576702 As\n0.000000 0.053733 0.425230 As\n0.500000 0.513429 0.213889 As\n0.500000 0.985666 0.785414 As\n0.500000 0.486571 0.713889 As\n0.500000 0.014334 0.285414 As\n0.500000 0.353776 0.328570 As\n0.500000 0.142998 0.671461 As\n0.500000 0.646224 0.828570 As\n0.500000 0.857002 0.171461 As\n0.000000 0.232338 0.162870 As\n0.000000 0.268218 0.839069 As\n0.000000 0.767662 0.662870 As\n0.000000 0.731782 0.339069 As\n",
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"volume": 1098.573001345692,
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"updated_at": "2021-11-28T01:35:04.706000Z",
"spacegroup": 26
},
{
"id": "mp-759540",
"created_at": "2022-09-04T14:47:13.852152Z",
"structure_string": "Li8 Mn16 P16 O60\n1.0\n7.240493 5.338342 0.000000\n-7.240493 5.338342 0.000000\n0.000000 3.595246 18.208277\nLi Mn P O\n8 16 16 60\ndirect\n0.488412 0.975080 0.757566 Li\n0.314817 0.468013 0.943517 Li\n0.531987 0.685183 0.556483 Li\n0.975080 0.488412 0.257566 Li\n0.024920 0.511588 0.742434 Li\n0.468013 0.314817 0.443517 Li\n0.685183 0.531987 0.056483 Li\n0.511588 0.024920 0.242434 Li\n0.952703 0.849232 0.569328 Mn\n0.905864 0.279966 0.937369 Mn\n0.000000 0.500000 0.500000 Mn\n0.849232 0.952703 0.069328 Mn\n0.823494 0.176506 0.750000 Mn\n0.522340 0.477660 0.750000 Mn\n0.051021 0.948979 0.750000 Mn\n0.279966 0.905864 0.437369 Mn\n0.720034 0.094136 0.562631 Mn\n0.477660 0.522340 0.250000 Mn\n0.176506 0.823494 0.250000 Mn\n0.948979 0.051021 0.250000 Mn\n0.150768 0.047297 0.930672 Mn\n0.094136 0.720034 0.062631 Mn\n0.047297 0.150768 0.430672 Mn\n0.500000 0.000000 0.000000 Mn\n0.772118 0.890747 0.900716 P\n0.977203 0.686436 0.899803 P\n0.699389 0.843196 0.679814 P\n0.890748 0.772118 0.400716 P\n0.686436 0.977203 0.399803 P\n0.780106 0.453044 0.625924 P\n0.843196 0.699389 0.179814 P\n0.546956 0.219894 0.874076 P\n0.453044 0.780106 0.125924 P\n0.156804 0.300611 0.820186 P\n0.219894 0.546956 0.374076 P\n0.313564 0.022797 0.600197 P\n0.109253 0.227882 0.599284 P\n0.300611 0.156804 0.320186 P\n0.022797 0.313564 0.100197 P\n0.227882 0.109252 0.099284 P\n0.831354 0.957970 0.819289 O\n0.867731 0.834213 0.685503 O\n0.807457 0.722543 0.915537 O\n0.597729 0.853842 0.926604 O\n0.933036 0.516058 0.933034 O\n0.957970 0.831354 0.319289 O\n0.682282 0.830740 0.596142 O\n0.904118 0.608173 0.582886 O\n0.989067 0.314489 0.812926 O\n0.834213 0.867731 0.185503 O\n0.567646 0.722280 0.734696 O\n0.722543 0.807457 0.415537 O\n0.853842 0.597729 0.426604 O\n0.516058 0.933036 0.433034 O\n0.840275 0.409276 0.697920 O\n0.272436 0.960589 0.683042 O\n0.879133 0.999504 0.948297 O\n0.088943 0.792712 0.944623 O\n0.667014 0.215390 0.928389 O\n0.830740 0.682282 0.096142 O\n0.530216 0.386036 0.857924 O\n0.608173 0.904118 0.082886 O\n0.613964 0.469784 0.642076 O\n0.784610 0.332986 0.571611 O\n0.207288 0.911057 0.555377 O\n0.000496 0.120867 0.551703 O\n0.314489 0.989067 0.312926 O\n0.722280 0.567646 0.234696 O\n0.039411 0.727564 0.816958 O\n0.590724 0.159725 0.802080 O\n0.409276 0.840275 0.197920 O\n0.960589 0.272436 0.183042 O\n0.277720 0.432354 0.765304 O\n0.685511 0.010933 0.687074 O\n0.999504 0.879133 0.448297 O\n0.792712 0.088943 0.444623 O\n0.215390 0.667014 0.428389 O\n0.386036 0.530216 0.357924 O\n0.391827 0.095882 0.917114 O\n0.469784 0.613964 0.142076 O\n0.169260 0.317718 0.903858 O\n0.332986 0.784610 0.071611 O\n0.911057 0.207288 0.055377 O\n0.120867 0.000496 0.051703 O\n0.727564 0.039411 0.316958 O\n0.159725 0.590724 0.302080 O\n0.483942 0.066964 0.566966 O\n0.146158 0.402271 0.573396 O\n0.277457 0.192543 0.584463 O\n0.432354 0.277720 0.265304 O\n0.165787 0.132269 0.814497 O\n0.010933 0.685511 0.187074 O\n0.095882 0.391827 0.417114 O\n0.317718 0.169260 0.403858 O\n0.042030 0.168646 0.680711 O\n0.066964 0.483942 0.066966 O\n0.402271 0.146158 0.073396 O\n0.192543 0.277457 0.084463 O\n0.132269 0.165787 0.314497 O\n0.168646 0.042030 0.180711 O\n",
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"density": 2.8196053263509793,
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"formula_full": "Li8 Mn16 P16 O60",
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{
"id": "mp-780616",
"created_at": "2022-09-04T14:39:23.011546Z",
"structure_string": "Li6 V6 Cr3 O18\n1.0\n4.467110 6.473116 0.000000\n-4.467110 6.473116 0.000000\n0.000000 1.482885 5.878080\nLi V Cr O\n6 6 3 18\ndirect\n0.666818 0.002785 0.338686 Li\n0.002785 0.666818 0.338686 Li\n0.670940 0.329060 0.000000 Li\n0.329060 0.670940 0.000000 Li\n0.997215 0.333182 0.661314 Li\n0.333182 0.997215 0.661314 Li\n0.334023 0.334023 0.828516 V\n0.665977 0.665977 0.171484 V\n0.670743 0.993797 0.835659 V\n0.993797 0.670743 0.835659 V\n0.006203 0.329257 0.164341 V\n0.329257 0.006203 0.164341 V\n0.666435 0.333565 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333565 0.666435 0.500000 Cr\n0.515592 0.515592 0.258245 O\n0.500381 0.839921 0.945755 O\n0.839921 0.500381 0.945755 O\n0.484408 0.484408 0.741755 O\n0.491836 0.832902 0.389814 O\n0.832902 0.491836 0.389814 O\n0.499619 0.160079 0.054245 O\n0.818178 0.818178 0.087632 O\n0.160079 0.499619 0.054245 O\n0.508164 0.167098 0.610186 O\n0.841401 0.841401 0.602892 O\n0.167098 0.508164 0.610186 O\n0.834855 0.177678 0.273909 O\n0.177678 0.834855 0.273909 O\n0.181822 0.181822 0.912368 O\n0.822322 0.165145 0.726091 O\n0.165145 0.822322 0.726091 O\n0.158599 0.158599 0.397108 O\n",
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{
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"structure_string": "Nd12 Al3 Si15 N21 O21\n1.0\n6.857576 0.071253 -0.114126\n0.062133 6.785175 0.093113\n-0.326822 0.280980 21.089207\nNd Al Si N O\n12 3 15 21 21\ndirect\n0.431542 0.244986 0.234866 Nd\n0.409416 0.402158 0.587817 Nd\n0.336412 0.674843 0.039657 Nd\n0.412050 0.285373 0.933301 Nd\n0.339018 0.740468 0.427683 Nd\n0.274514 0.745571 0.742587 Nd\n0.621829 0.118449 0.086692 Nd\n0.706205 0.269183 0.405126 Nd\n0.581899 0.888909 0.593538 Nd\n0.574102 0.255292 0.758400 Nd\n0.682647 0.704956 0.206587 Nd\n0.650775 0.814767 0.884679 Nd\n0.875078 0.898515 0.009143 Al\n0.099614 0.024861 0.322906 Al\n0.120857 0.902857 0.554283 Al\n0.103960 0.506165 0.164336 Si\n0.987498 0.049777 0.659940 Si\n0.914244 0.553325 0.496722 Si\n0.886957 0.454806 0.838703 Si\n0.794882 0.512017 0.062756 Si\n0.890259 0.330058 0.273854 Si\n0.816746 0.716762 0.362469 Si\n0.888454 0.433639 0.632207 Si\n0.756936 0.643471 0.706288 Si\n0.859467 0.314340 0.966888 Si\n0.236801 0.211693 0.457522 Si\n0.175756 0.055760 0.108783 Si\n0.255869 0.841581 0.193320 Si\n0.165198 0.140204 0.806888 Si\n0.143781 0.756493 0.891429 Si\n0.753839 0.503578 0.315814 N\n0.521173 0.618362 0.672149 N\n0.338942 0.593919 0.185631 N\n0.270978 0.375400 0.820713 N\n0.130741 0.672092 0.510703 N\n0.129260 0.544742 0.831123 N\n0.833954 0.097123 0.315283 N\n0.749305 0.634688 0.436776 N\n0.693465 0.946962 0.340811 N\n0.691590 0.742781 0.047187 N\n0.728173 0.088645 0.960966 N\n0.724715 0.413484 0.144475 N\n0.889383 0.369580 0.191567 N\n0.585740 0.167322 0.650381 N\n0.781700 0.226295 0.667745 N\n0.732404 0.583339 0.784878 N\n0.773199 0.503233 0.560507 N\n0.751521 0.464432 0.904971 N\n0.501274 0.977157 0.179093 N\n0.320328 0.054296 0.518100 N\n0.395354 0.000051 0.818717 N\n0.500464 0.394924 0.030448 O\n0.319641 0.023269 0.047829 O\n0.255548 0.947392 0.264944 O\n0.220863 0.270973 0.143866 O\n0.190001 0.893871 0.637568 O\n0.242706 0.078681 0.393603 O\n0.394930 0.390507 0.448198 O\n0.125163 0.071953 0.731532 O\n0.368001 0.688097 0.922723 O\n0.015676 0.730669 0.198701 O\n0.894566 0.004451 0.577220 O\n0.040984 0.761759 0.964178 O\n0.958336 0.044299 0.074491 O\n0.009712 0.317918 0.463644 O\n0.920775 0.216020 0.817705 O\n0.037090 0.560761 0.088139 O\n0.053741 0.769186 0.359585 O\n0.839867 0.867948 0.693813 O\n0.124421 0.299993 0.291303 O\n0.105625 0.311959 0.630476 O\n0.092089 0.286611 0.953073 O\n",
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},
{
"id": "mp-669713",
"created_at": "2022-09-04T14:46:58.420313Z",
"structure_string": "Gd4 Ni14\n1.0\n4.846220 -0.000331 11.356399\n2.321557 4.253965 11.356399\n-0.000557 -0.000331 12.347212\nGd Ni\n4 14\ndirect\n0.949114 0.949114 0.949114 Gd\n0.147271 0.147271 0.147271 Gd\n0.050886 0.050886 0.050886 Gd\n0.852729 0.852729 0.852729 Gd\n0.721563 0.721563 0.721563 Ni\n0.387897 0.387897 0.387897 Ni\n0.109725 0.609742 0.609742 Ni\n0.609742 0.109725 0.609742 Ni\n0.390258 0.390258 0.890275 Ni\n0.612103 0.612103 0.612103 Ni\n0.500000 0.000000 0.500000 Ni\n0.890275 0.390258 0.390258 Ni\n0.500000 0.500000 0.500000 Ni\n0.390258 0.890275 0.390258 Ni\n0.278437 0.278437 0.278437 Ni\n0.609742 0.609742 0.109725 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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