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{
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{
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"formula_full": "Y3 Fe9 B12 O36",
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{
"id": "mp-1068782",
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"structure_string": "Sm1 Si3 Os1\n1.0\n-2.111886 2.111886 4.967651\n2.111886 -2.111886 4.967651\n2.111886 2.111886 -4.967651\nSm Si Os\n1 3 1\ndirect\n0.997930 0.997930 0.000000 Sm\n0.418391 0.418391 0.000000 Si\n0.261659 0.761659 0.500000 Si\n0.761659 0.261659 0.500000 Si\n0.654361 0.654361 0.000000 Os\n",
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{
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"structure_string": "Ce2 Hg1 Pb1\n1.0\n0.000000 3.919307 3.919307\n3.919307 0.000000 3.919307\n3.919307 3.919307 0.000000\nCe Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "mp-1219128",
"created_at": "2022-09-04T14:39:07.429379Z",
"structure_string": "Sr4 Ca4 Nd2 Mn10 O30\n1.0\n5.489681 0.000000 0.000000\n-2.365570 9.072261 0.000000\n-2.630757 -2.296344 11.494542\nSr Ca Nd Mn O\n4 4 2 10 30\ndirect\n0.149198 0.350181 0.950341 Sr\n0.547260 0.948064 0.149416 Sr\n0.948790 0.551646 0.348653 Sr\n0.352406 0.150084 0.553052 Sr\n0.451122 0.047537 0.848415 Ca\n0.846100 0.651741 0.046835 Ca\n0.651645 0.847872 0.447211 Ca\n0.053215 0.451101 0.653506 Ca\n0.753143 0.749984 0.748331 Nd\n0.248665 0.249934 0.251480 Nd\n0.500636 0.500390 0.501050 Mn\n0.700536 0.300612 0.098226 Mn\n0.098533 0.898182 0.300410 Mn\n0.901919 0.101332 0.700110 Mn\n0.299590 0.699758 0.900039 Mn\n0.599819 0.398406 0.800124 Mn\n0.799642 0.198964 0.401868 Mn\n0.200235 0.800640 0.599685 Mn\n0.999142 0.999438 0.998431 Mn\n0.400756 0.602137 0.200067 Mn\n0.157479 0.348611 0.445343 O\n0.341153 0.152735 0.053431 O\n0.742982 0.752186 0.252648 O\n0.549147 0.941733 0.657320 O\n0.954688 0.555046 0.846223 O\n0.250758 0.253989 0.752049 O\n0.452062 0.055363 0.348663 O\n0.844594 0.653956 0.554475 O\n0.652465 0.848403 0.940353 O\n0.051623 0.439416 0.152410 O\n0.430937 0.582980 0.361674 O\n0.638706 0.388966 0.962594 O\n0.031155 0.984967 0.160768 O\n0.834567 0.187462 0.562315 O\n0.215519 0.783409 0.760989 O\n0.992340 0.017782 0.839700 O\n0.199751 0.826171 0.443484 O\n0.598004 0.428808 0.642954 O\n0.394306 0.626987 0.041331 O\n0.787301 0.224552 0.241677 O\n0.743779 0.232750 0.778368 O\n0.953650 0.038388 0.378800 O\n0.353703 0.635507 0.583925 O\n0.147379 0.834372 0.977316 O\n0.545417 0.434208 0.177306 O\n0.022175 0.952047 0.617406 O\n0.216576 0.749760 0.216093 O\n0.632502 0.356905 0.418719 O\n0.443817 0.563657 0.817446 O\n0.819112 0.150882 0.016973 O\n",
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"formula_full": "Sr4 Ca4 Nd2 Mn10 O30",
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{
"id": "mp-1224972",
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"structure_string": "Fe1 Co1 As4\n1.0\n2.969687 0.000000 0.000000\n0.000000 5.220714 0.000000\n0.000000 0.006590 5.942026\nFe Co As\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.500000 0.317138 0.137299 As\n0.500000 0.682862 0.862701 As\n0.000000 0.818011 0.360907 As\n0.000000 0.181989 0.639093 As\n",
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{
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"created_at": "2022-09-04T14:39:07.439174Z",
"structure_string": "Bi20 Br4 O28\n1.0\n2.721344 -8.237742 0.000000\n2.721344 8.237742 0.000000\n0.000000 0.000000 23.773791\nBi Br O\n20 4 28\ndirect\n0.385769 0.042590 0.060829 Bi\n0.284150 0.284150 0.201694 Bi\n0.784150 0.784150 0.298306 Bi\n0.985169 0.634300 0.190736 Bi\n0.014831 0.365700 0.809264 Bi\n0.134300 0.485169 0.309264 Bi\n0.514831 0.865700 0.690736 Bi\n0.885769 0.542590 0.439171 Bi\n0.114231 0.457410 0.560829 Bi\n0.634300 0.985169 0.190736 Bi\n0.865700 0.514831 0.690736 Bi\n0.614231 0.957410 0.939171 Bi\n0.215850 0.215850 0.701694 Bi\n0.457410 0.114231 0.560829 Bi\n0.957410 0.614231 0.939171 Bi\n0.042590 0.385769 0.060829 Bi\n0.542590 0.885769 0.439171 Bi\n0.365700 0.014831 0.809264 Bi\n0.715850 0.715850 0.798306 Bi\n0.485169 0.134300 0.309264 Bi\n0.318879 0.318879 0.394784 Br\n0.818879 0.818879 0.105216 Br\n0.681121 0.681121 0.605216 Br\n0.181121 0.181121 0.894784 Br\n0.992840 0.611501 0.850235 O\n0.270115 0.770115 0.250000 O\n0.611501 0.992840 0.850235 O\n0.729885 0.229885 0.750000 O\n0.553977 0.390860 0.746963 O\n0.390860 0.553977 0.746963 O\n0.111501 0.492840 0.649765 O\n0.629930 0.038804 0.049966 O\n0.492840 0.111501 0.649765 O\n0.538804 0.129930 0.450034 O\n0.370070 0.961196 0.950034 O\n0.770115 0.270115 0.250000 O\n0.609140 0.446023 0.253037 O\n0.053977 0.890860 0.753037 O\n0.038804 0.629930 0.049966 O\n0.507160 0.888499 0.350235 O\n0.961196 0.370070 0.950034 O\n0.109140 0.946023 0.246963 O\n0.946023 0.109140 0.246963 O\n0.229885 0.729885 0.750000 O\n0.388499 0.007160 0.149765 O\n0.890860 0.053977 0.753037 O\n0.007160 0.388499 0.149765 O\n0.446023 0.609140 0.253037 O\n0.888499 0.507160 0.350235 O\n0.129930 0.538804 0.450034 O\n0.870070 0.461196 0.549966 O\n0.461196 0.870070 0.549966 O\n",
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{
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"structure_string": "Cs2 K1 Bi1 F6\n1.0\n0.000000 4.883971 4.883971\n4.883971 0.000000 4.883971\n4.883971 4.883971 0.000000\nCs K Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.766532 0.233468 0.233468 F\n0.233468 0.233468 0.766532 F\n0.233468 0.766532 0.766532 F\n0.233468 0.766532 0.233468 F\n0.766532 0.233468 0.766532 F\n0.766532 0.766532 0.233468 F\n",
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{
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"structure_string": "Mg6 As4 O16\n1.0\n8.453711 0.000000 0.000000\n0.000000 5.365652 0.000000\n0.000000 4.571603 7.923916\nMg As O\n6 4 16\ndirect\n0.000000 0.500000 0.500000 Mg\n0.355491 0.499635 0.601195 Mg\n0.855491 0.500365 0.898805 Mg\n0.500000 0.500000 0.000000 Mg\n0.144509 0.499635 0.101195 Mg\n0.644509 0.500365 0.398805 Mg\n0.306084 0.848381 0.195420 As\n0.806084 0.151619 0.304580 As\n0.193916 0.848381 0.695420 As\n0.693916 0.151619 0.804580 As\n0.873566 0.330581 0.740935 O\n0.436744 0.700035 0.361527 O\n0.646449 0.234398 0.958303 O\n0.804023 0.787781 0.383746 O\n0.146449 0.765602 0.541697 O\n0.373566 0.669419 0.759065 O\n0.304023 0.212219 0.116254 O\n0.936744 0.299965 0.138473 O\n0.063256 0.700035 0.861527 O\n0.695977 0.787781 0.883746 O\n0.626434 0.330581 0.240935 O\n0.853551 0.234398 0.458303 O\n0.195977 0.212219 0.616254 O\n0.353551 0.765602 0.041697 O\n0.563256 0.299965 0.638473 O\n0.126434 0.669419 0.259065 O\n",
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{
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"formula_full": "V6 Cd10 P12 O50",
"formula_reduced": "V3Cd5P6O25",
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"updated_at": "2021-11-28T01:34:25.042000Z",
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},
{
"id": "mp-1173866",
"created_at": "2022-09-04T14:39:07.440181Z",
"structure_string": "Na12 S12 O30\n1.0\n5.655222 -0.083546 -0.202994\n-0.055446 5.965215 -1.646924\n-0.338545 1.128438 26.806721\nNa S O\n12 12 30\ndirect\n0.253380 0.885608 0.439388 Na\n0.276646 0.884010 0.787027 Na\n0.271518 0.886820 0.109311 Na\n0.245828 0.351265 0.013294 Na\n0.225745 0.339525 0.344142 Na\n0.206928 0.367575 0.685607 Na\n0.700946 0.154761 0.563125 Na\n0.716606 0.109522 0.229262 Na\n0.740640 0.122068 0.888069 Na\n0.750377 0.689230 0.310388 Na\n0.790705 0.665829 0.978459 Na\n0.765354 0.712951 0.660444 Na\n0.232398 0.425235 0.236106 S\n0.264402 0.443132 0.907768 S\n0.216232 0.443535 0.574542 S\n0.229575 0.806767 0.242573 S\n0.233992 0.840376 0.923109 S\n0.170259 0.845382 0.573525 S\n0.743749 0.560317 0.424083 S\n0.763414 0.554829 0.093786 S\n0.748686 0.555057 0.770867 S\n0.761426 0.156370 0.404567 S\n0.781052 0.150201 0.070588 S\n0.815938 0.187695 0.774489 S\n0.015083 0.401016 0.265570 O\n0.045475 0.392411 0.935161 O\n0.003701 0.419262 0.605841 O\n0.225793 0.841250 0.190003 O\n0.158556 0.846426 0.517973 O\n0.337175 0.891883 0.876134 O\n0.451901 0.410319 0.269738 O\n0.483790 0.424207 0.942851 O\n0.442024 0.436328 0.607283 O\n0.324839 0.030044 0.702325 O\n0.529490 0.589067 0.066958 O\n0.513197 0.588240 0.394852 O\n0.513050 0.550262 0.741801 O\n0.449590 0.900460 0.273389 O\n0.427930 0.944020 0.661365 O\n0.558377 0.142013 0.480088 O\n0.584935 0.142714 0.147006 O\n0.618523 0.106395 0.800793 O\n0.824994 0.095238 0.126978 O\n0.038237 0.204294 0.806746 O\n0.802334 0.106057 0.461400 O\n0.998448 0.113270 0.381382 O\n0.016529 0.107756 0.046538 O\n0.842112 0.061224 0.721516 O\n0.949519 0.600215 0.392625 O\n0.964978 0.600632 0.061737 O\n0.945871 0.585536 0.736347 O\n0.011712 0.887940 0.268894 O\n0.966172 0.859655 0.922511 O\n0.932272 0.887106 0.596608 O\n",
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{
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"structure_string": "Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n",
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}