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{
"id": "mp-755557",
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{
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{
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"formula_full": "Nd1 Ti2 Co10",
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{
"id": "mp-776832",
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"structure_string": "Mn7 Sb1 P12 O48\n1.0\n8.487235 -0.000898 0.001600\n-0.000838 8.479847 -0.002762\n0.002279 -0.003837 11.824625\nMn Sb P O\n7 1 12 48\ndirect\n0.250250 0.965245 0.617999 Mn\n0.250054 0.535151 0.381943 Mn\n0.249705 0.035068 0.117469 Mn\n0.249746 0.465775 0.881656 Mn\n0.750480 0.535717 0.117978 Mn\n0.750455 0.964305 0.882216 Mn\n0.749539 0.033593 0.381188 Mn\n0.749608 0.466624 0.620689 Sb\n0.041737 0.246773 0.497971 P\n0.463634 0.749985 0.999966 P\n0.537071 0.250412 0.999826 P\n0.965656 0.754588 0.498101 P\n0.107142 0.391393 0.144987 P\n0.107151 0.108554 0.854669 P\n0.386784 0.609123 0.646048 P\n0.392702 0.891657 0.354804 P\n0.605177 0.100880 0.645965 P\n0.603934 0.390514 0.349479 P\n0.896555 0.609491 0.858679 P\n0.892934 0.891852 0.145197 P\n0.059758 0.641212 0.423447 O\n0.061510 0.862419 0.575270 O\n0.074493 0.901468 0.158774 O\n0.076509 0.601817 0.844204 O\n0.148955 0.157457 0.580199 O\n0.147977 0.340064 0.416969 O\n0.159749 0.438088 0.026766 O\n0.159568 0.062018 0.973327 O\n0.153414 0.222120 0.176234 O\n0.152790 0.278225 0.824294 O\n0.177429 0.514362 0.227880 O\n0.178442 0.986926 0.772139 O\n0.321101 0.013054 0.271797 O\n0.317275 0.486289 0.727639 O\n0.341629 0.778611 0.676544 O\n0.347052 0.721974 0.323615 O\n0.340029 0.561506 0.526298 O\n0.341256 0.938089 0.473561 O\n0.353060 0.840549 0.081107 O\n0.354814 0.658330 0.918997 O\n0.424675 0.096431 0.658460 O\n0.423066 0.399774 0.338817 O\n0.440850 0.140793 0.076576 O\n0.440485 0.358770 0.923190 O\n0.559759 0.640599 0.076559 O\n0.559993 0.859281 0.923393 O\n0.570447 0.605486 0.658841 O\n0.574373 0.900926 0.341025 O\n0.646876 0.341359 0.080797 O\n0.646758 0.157896 0.918937 O\n0.660223 0.063158 0.526599 O\n0.657091 0.439411 0.469317 O\n0.652516 0.221120 0.322344 O\n0.650237 0.272673 0.679932 O\n0.679059 0.512906 0.270117 O\n0.679930 0.982293 0.728413 O\n0.820573 0.013594 0.227561 O\n0.821018 0.483910 0.778412 O\n0.846283 0.722625 0.176554 O\n0.846471 0.776862 0.825075 O\n0.842475 0.564051 0.976674 O\n0.840518 0.938340 0.026695 O\n0.856543 0.664999 0.582291 O\n0.855453 0.842964 0.416685 O\n0.925181 0.098691 0.841314 O\n0.925622 0.401483 0.159082 O\n0.940167 0.141156 0.423203 O\n0.946233 0.357168 0.577251 O\n",
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"volume": 851.0235028675128,
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"formula_full": "Mn7 Sb1 P12 O48",
"formula_reduced": "Mn7Sb(PO4)12",
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{
"id": "mp-1113545",
"created_at": "2022-09-04T14:46:28.459889Z",
"structure_string": "Rb2 Hg1 As1 I6\n1.0\n0.000000 6.005524 6.005524\n6.005524 0.000000 6.005524\n6.005524 6.005524 0.000000\nRb Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.759096 0.240904 0.240904 I\n0.240904 0.240904 0.759096 I\n0.240904 0.759096 0.759096 I\n0.240904 0.759096 0.240904 I\n0.759096 0.240904 0.759096 I\n0.759096 0.759096 0.240904 I\n",
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{
"id": "mp-675061",
"created_at": "2022-09-04T14:46:28.067465Z",
"structure_string": "Sr24 Ta8 O43\n1.0\n6.038342 0.000000 0.000000\n2.970556 5.278420 0.000000\n1.925330 2.219791 38.939976\nSr Ta O\n24 8 43\ndirect\n0.630722 0.605871 0.026045 Sr\n0.287636 0.282430 0.062882 Sr\n0.257253 0.238111 0.150982 Sr\n0.982822 0.883656 0.098483 Sr\n0.966149 0.894160 0.188690 Sr\n0.908665 0.894235 0.282214 Sr\n0.651849 0.518971 0.215932 Sr\n0.484359 0.497607 0.414349 Sr\n0.564208 0.588576 0.312440 Sr\n0.154857 0.074529 0.524977 Sr\n0.159725 0.158503 0.435730 Sr\n0.236074 0.190787 0.346758 Sr\n0.850002 0.751054 0.572125 Sr\n0.870835 0.737854 0.481403 Sr\n0.726964 0.750753 0.665264 Sr\n0.476124 0.315898 0.771573 Sr\n0.535048 0.379263 0.587030 Sr\n0.408003 0.420901 0.680251 Sr\n0.139618 0.994577 0.730449 Sr\n0.100174 0.013433 0.820216 Sr\n0.031439 0.031323 0.910885 Sr\n0.778791 0.646685 0.833908 Sr\n0.681440 0.701391 0.928263 Sr\n0.344728 0.287313 0.972687 Sr\n0.001007 0.987464 0.996684 Ta\n0.617399 0.578571 0.124704 Ta\n0.258192 0.272351 0.251716 Ta\n0.879781 0.899516 0.377725 Ta\n0.502244 0.440540 0.502561 Ta\n0.127221 0.156052 0.626934 Ta\n0.757615 0.696752 0.750013 Ta\n0.375680 0.420869 0.873341 Ta\n0.387358 0.931991 0.103829 O\n0.680121 0.168726 0.023191 O\n0.844264 0.520591 0.082689 O\n0.838445 0.680742 0.150593 O\n0.393371 0.464848 0.105309 O\n0.166277 0.707881 0.030191 O\n0.613444 0.110580 0.232006 O\n0.384620 0.671620 0.166718 O\n0.893459 0.211988 0.384754 O\n0.306134 0.567527 0.257775 O\n0.122770 0.205446 0.213046 O\n0.842953 0.218612 0.144106 O\n0.238594 0.765856 0.358999 O\n0.899389 0.504992 0.267424 O\n0.296658 0.786255 0.475506 O\n0.316045 0.026974 0.288302 O\n0.798820 0.758412 0.340194 O\n0.516892 0.093303 0.394571 O\n0.767276 0.364362 0.466509 O\n0.687535 0.570080 0.531958 O\n0.304128 0.317801 0.478794 O\n0.996051 0.670252 0.416610 O\n0.494193 0.008939 0.612542 O\n0.228161 0.578020 0.538990 O\n0.558740 0.039448 0.721534 O\n0.131327 0.480266 0.626953 O\n0.027403 0.064552 0.587543 O\n0.697897 0.101053 0.527655 O\n0.038011 0.597130 0.716767 O\n0.759945 0.366454 0.640924 O\n0.899886 0.857486 0.780352 O\n0.571731 0.573212 0.722652 O\n0.222054 0.933360 0.667139 O\n0.454502 0.832320 0.783493 O\n0.748039 0.267846 0.862240 O\n0.400292 0.738501 0.874515 O\n0.908813 0.324161 0.968038 O\n0.282706 0.332859 0.832756 O\n0.904253 0.368793 0.777827 O\n0.011041 0.658130 0.884539 O\n0.343815 0.859458 0.971803 O\n0.871263 0.875269 0.962278 O\n0.418454 0.195659 0.911924 O\n",
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{
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"structure_string": "Li8 Fe12 Ni4 O32\n1.0\n8.360428 0.000000 0.000000\n0.000000 8.360428 0.000000\n0.000000 0.000000 8.360428\nLi Fe Ni O\n8 12 4 32\ndirect\n0.501353 0.501353 0.501353 Li\n0.748647 0.748647 0.748647 Li\n0.751353 0.251353 0.248647 Li\n0.998647 0.498647 0.001353 Li\n0.001353 0.998647 0.498647 Li\n0.248647 0.751353 0.251353 Li\n0.251353 0.248647 0.751353 Li\n0.498647 0.001353 0.998647 Li\n0.627867 0.622133 0.125000 Fe\n0.625000 0.872133 0.377867 Fe\n0.622133 0.125000 0.627867 Fe\n0.877867 0.875000 0.127867 Fe\n0.875000 0.127867 0.877867 Fe\n0.872133 0.377867 0.625000 Fe\n0.127867 0.877867 0.875000 Fe\n0.125000 0.627867 0.622133 Fe\n0.122133 0.375000 0.372133 Fe\n0.377867 0.625000 0.872133 Fe\n0.375000 0.372133 0.122133 Fe\n0.372133 0.122133 0.375000 Fe\n0.625000 0.375000 0.875000 Ni\n0.875000 0.625000 0.375000 Ni\n0.125000 0.125000 0.125000 Ni\n0.375000 0.875000 0.625000 Ni\n0.618899 0.601677 0.883573 O\n0.616427 0.381101 0.101677 O\n0.613084 0.113084 0.386916 O\n0.648323 0.631101 0.366427 O\n0.601677 0.883573 0.618899 O\n0.636916 0.863084 0.136916 O\n0.633573 0.148323 0.868899 O\n0.631101 0.366427 0.648323 O\n0.868899 0.633573 0.148323 O\n0.866427 0.851677 0.368899 O\n0.863084 0.136916 0.636916 O\n0.898323 0.116427 0.118899 O\n0.851677 0.368899 0.866427 O\n0.886916 0.886916 0.886916 O\n0.883573 0.618899 0.601677 O\n0.881101 0.398323 0.383573 O\n0.118899 0.898323 0.116427 O\n0.116427 0.118899 0.898323 O\n0.113084 0.386916 0.613084 O\n0.148323 0.868899 0.633573 O\n0.101677 0.616427 0.381101 O\n0.136916 0.636916 0.863084 O\n0.133573 0.351677 0.131101 O\n0.131101 0.133573 0.351677 O\n0.368899 0.866427 0.851677 O\n0.366427 0.648323 0.631101 O\n0.363084 0.363084 0.363084 O\n0.398323 0.383573 0.881101 O\n0.351677 0.131101 0.133573 O\n0.386916 0.613084 0.113084 O\n0.383573 0.881101 0.398323 O\n0.381101 0.101677 0.616427 O\n",
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{
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"structure_string": "Sc2 Cu1 Os1\n1.0\n0.000000 3.234575 3.234575\n3.234575 0.000000 3.234575\n3.234575 3.234575 0.000000\nSc Cu Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
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{
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{
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{
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"structure_string": "Mn3 Co2 Te3 O16\n1.0\n3.037592 5.352929 0.000000\n-3.037592 5.352929 0.000000\n0.000000 0.122234 9.199691\nMn Co Te O\n3 2 3 16\ndirect\n0.832326 0.832326 0.786541 Mn\n0.164770 0.664724 0.289410 Mn\n0.664724 0.164770 0.289410 Mn\n0.675331 0.675331 0.484993 Co\n0.346269 0.346269 0.017996 Co\n0.334861 0.831459 0.787353 Te\n0.831459 0.334861 0.787353 Te\n0.166624 0.166624 0.286965 Te\n0.322752 0.845523 0.396077 O\n0.518129 0.518129 0.664017 O\n0.646682 0.646682 0.912658 O\n0.016410 0.016410 0.670903 O\n0.006477 0.006477 0.180728 O\n0.845523 0.322752 0.396077 O\n0.508387 0.956998 0.674371 O\n0.956998 0.508387 0.674371 O\n0.159562 0.159562 0.900564 O\n0.843505 0.843505 0.391975 O\n0.040407 0.478889 0.165455 O\n0.478889 0.040407 0.165455 O\n0.323989 0.323989 0.402316 O\n0.170600 0.681845 0.890704 O\n0.474194 0.474194 0.178411 O\n0.681845 0.170600 0.890704 O\n",
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"formula_full": "Mn3 Co2 Te3 O16",
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{
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"created_at": "2022-09-04T14:46:29.593316Z",
"structure_string": "Zr8 Sn8\n1.0\n5.318409 0.000000 0.000000\n0.000000 5.603907 0.000000\n0.000000 0.000000 12.600791\nZr Sn\n8 8\ndirect\n0.000000 0.677806 0.000000 Zr\n0.000000 0.166790 0.375451 Zr\n0.000000 0.661406 0.500000 Zr\n0.000000 0.166790 0.624549 Zr\n0.500000 0.338594 0.000000 Zr\n0.500000 0.833210 0.124549 Zr\n0.500000 0.322194 0.500000 Zr\n0.500000 0.833210 0.875451 Zr\n0.000000 0.167388 0.122573 Sn\n0.000000 0.659794 0.250254 Sn\n0.000000 0.659794 0.749746 Sn\n0.000000 0.167388 0.877427 Sn\n0.500000 0.340206 0.249746 Sn\n0.500000 0.832612 0.377427 Sn\n0.500000 0.832612 0.622573 Sn\n0.500000 0.340206 0.750254 Sn\n",
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}