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{
"id": "mp-1097047",
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"structure_string": "Fe4 Cu8 B4 O20\n1.0\n3.145458 0.000000 0.000000\n1.424825 9.641995 0.000000\n0.097880 0.107982 12.148340\nFe Cu B O\n4 8 4 20\ndirect\n0.938680 0.235042 0.883358 Fe\n0.083998 0.275922 0.379435 Fe\n0.056162 0.765869 0.116439 Fe\n0.009471 0.994208 0.503535 Fe\n0.934123 0.725999 0.618786 Cu\n0.996374 0.500789 0.999519 Cu\n0.549985 0.509413 0.219989 Cu\n0.485141 0.995023 0.723258 Cu\n0.434035 0.489736 0.777136 Cu\n0.524675 0.005386 0.278678 Cu\n0.498625 0.999925 0.000377 Cu\n0.493116 0.501755 0.501657 Cu\n0.037796 0.237004 0.134861 B\n0.947104 0.264986 0.634207 B\n0.961469 0.763675 0.863787 B\n0.054819 0.734052 0.366088 B\n0.489867 0.099836 0.856816 O\n0.518600 0.400764 0.354713 O\n0.507035 0.900626 0.144681 O\n0.437242 0.591642 0.644711 O\n0.049386 0.160583 0.039845 O\n0.928328 0.338866 0.535934 O\n0.946936 0.840221 0.960146 O\n0.053757 0.658030 0.462242 O\n0.960067 0.380708 0.131245 O\n0.040176 0.122068 0.632519 O\n0.045208 0.619933 0.869418 O\n0.979140 0.878218 0.367447 O\n0.611544 0.630262 0.088052 O\n0.550416 0.898577 0.577328 O\n0.387784 0.370658 0.912511 O\n0.492262 0.109172 0.422254 O\n0.122525 0.669411 0.265673 O\n0.900904 0.828017 0.762858 O\n0.877281 0.330851 0.733609 O\n0.095969 0.172770 0.236887 O\n",
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{
"id": "mp-1045868",
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"structure_string": "Cu10 O14\n1.0\n1.458446 -4.914852 0.000000\n1.458446 4.914852 0.000000\n0.000000 0.000000 17.879397\nCu O\n10 14\ndirect\n0.732623 0.267377 0.574611 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.267377 0.732623 0.425389 Cu\n0.267377 0.732623 0.074611 Cu\n0.732623 0.267377 0.925389 Cu\n0.531961 0.468039 0.155187 Cu\n0.468039 0.531961 0.844813 Cu\n0.468039 0.531961 0.655187 Cu\n0.531961 0.468039 0.344813 Cu\n0.358706 0.641294 0.977020 O\n0.641294 0.358706 0.022980 O\n0.641294 0.358706 0.477020 O\n0.358706 0.641294 0.522980 O\n0.841790 0.158210 0.841402 O\n0.158210 0.841790 0.158598 O\n0.158210 0.841790 0.341402 O\n0.841790 0.158210 0.658598 O\n0.082901 0.917099 0.898907 O\n0.917099 0.082901 0.101093 O\n0.917099 0.082901 0.398907 O\n0.082901 0.917099 0.601093 O\n0.546560 0.453440 0.750000 O\n0.453440 0.546560 0.250000 O\n",
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"formula_full": "Cu10 O14",
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"spacegroup": 63
},
{
"id": "mp-723973",
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"structure_string": "Sc4 Se6\n1.0\n6.658716 0.000000 0.000000\n-1.157042 6.591017 0.000000\n-1.149315 -3.517864 5.576170\nSc Se\n4 6\ndirect\n0.000381 0.991072 0.001896 Sc\n0.499958 0.512437 0.829340 Sc\n0.500858 0.494373 0.168888 Sc\n0.000396 0.006982 0.663959 Sc\n0.752616 0.753657 0.240945 Se\n0.748602 0.747233 0.591664 Se\n0.751681 0.746013 0.918767 Se\n0.249971 0.231610 0.763404 Se\n0.251858 0.270620 0.068999 Se\n0.250870 0.252056 0.415986 Se\n",
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},
{
"id": "mp-756710",
"created_at": "2022-09-04T14:44:52.904074Z",
"structure_string": "Cr3 Fe2 O8\n1.0\n0.000000 4.228002 4.228002\n4.228002 0.000000 4.228002\n4.199703 4.199703 0.028299\nCr Fe O\n3 2 8\ndirect\n0.622114 0.138710 0.617062 Cr\n0.138710 0.622114 0.617062 Cr\n0.622114 0.622114 0.617062 Cr\n0.001829 0.001829 0.994513 Fe\n0.621917 0.621917 0.134247 Fe\n0.833288 0.383567 0.399577 O\n0.383567 0.383567 0.399577 O\n0.383567 0.833288 0.399577 O\n0.391559 0.391559 0.825322 O\n0.867717 0.867717 0.396848 O\n0.867768 0.398079 0.866384 O\n0.398079 0.867768 0.866384 O\n0.867768 0.867768 0.866384 O\n",
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"formula_full": "Cr3 Fe2 O8",
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{
"id": "mp-1097324",
"created_at": "2022-09-04T14:44:53.692484Z",
"structure_string": "Hf2 Zn1 Hg1\n1.0\n-5.669606 6.111512 8.438945\n5.669606 -6.111512 8.438945\n5.669606 6.111512 -8.438945\nHf Zn Hg\n2 1 1\ndirect\n0.000000 0.244812 0.244812 Hf\n0.000000 0.755188 0.755188 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
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{
"id": "mp-1075935",
"created_at": "2022-09-04T14:44:52.972576Z",
"structure_string": "Ba1 Sr7 Fe7 Co1 O24\n1.0\n5.557228 -5.555983 0.000000\n5.557228 5.555983 0.000000\n0.002489 0.000000 7.858226\nBa Sr Fe Co O\n1 7 7 1 24\ndirect\n0.749872 0.749872 0.749872 Ba\n0.750321 0.249654 0.750321 Sr\n0.750331 0.249631 0.249631 Sr\n0.750321 0.750321 0.249654 Sr\n0.249631 0.249631 0.750331 Sr\n0.249678 0.249678 0.249678 Sr\n0.249654 0.750321 0.750321 Sr\n0.249631 0.750331 0.249631 Sr\n0.499281 0.000678 0.000678 Fe\n0.499333 0.000962 0.499333 Fe\n0.499333 0.499333 0.000962 Fe\n0.000714 0.000714 0.000714 Fe\n0.000678 0.000678 0.499281 Fe\n0.000678 0.499281 0.000678 Fe\n0.000962 0.499333 0.499333 Fe\n0.499182 0.499182 0.499182 Co\n0.751328 0.003075 0.003075 O\n0.748649 0.003213 0.496872 O\n0.748649 0.496872 0.003213 O\n0.742528 0.497093 0.497093 O\n0.248662 0.000374 0.000374 O\n0.251356 0.000357 0.499616 O\n0.251356 0.499616 0.000357 O\n0.257338 0.499665 0.499665 O\n0.499616 0.251356 0.000357 O\n0.499665 0.257338 0.499665 O\n0.496872 0.748649 0.003213 O\n0.497093 0.742528 0.497093 O\n0.000374 0.248662 0.000374 O\n0.000357 0.251356 0.499616 O\n0.003075 0.751328 0.003075 O\n0.003213 0.748649 0.496872 O\n0.496872 0.003213 0.748649 O\n0.499616 0.000357 0.251356 O\n0.497093 0.497093 0.742528 O\n0.499665 0.499665 0.257338 O\n0.003075 0.003075 0.751328 O\n0.000374 0.000374 0.248662 O\n0.003213 0.496872 0.748649 O\n0.000357 0.499616 0.251356 O\n",
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{
"id": "mp-1221778",
"created_at": "2022-09-04T14:44:52.945162Z",
"structure_string": "Mn1 V2 P2 H8 O14\n1.0\n6.331096 0.000000 0.000000\n0.000000 6.331096 0.000000\n3.165548 3.165548 6.877148\nMn V P H O\n1 2 2 8 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.274323 0.274323 0.451354 V\n0.725677 0.725677 0.548646 V\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.272934 0.401964 0.883593 H\n0.843472 0.714442 0.883593 H\n0.714442 0.272934 0.883593 H\n0.401964 0.843472 0.883593 H\n0.727066 0.598036 0.116407 H\n0.156528 0.285558 0.116407 H\n0.285558 0.727066 0.116407 H\n0.598036 0.156528 0.116407 H\n0.282529 0.619701 0.367851 O\n0.349620 0.012448 0.367851 O\n0.012448 0.282529 0.367851 O\n0.619701 0.349620 0.367851 O\n0.717471 0.380299 0.632149 O\n0.650380 0.987552 0.632149 O\n0.987552 0.717471 0.632149 O\n0.380299 0.650380 0.632149 O\n0.154703 0.154703 0.690594 O\n0.845297 0.845297 0.309406 O\n0.231698 0.254372 0.000000 O\n0.768302 0.745628 0.000000 O\n0.745628 0.231698 0.000000 O\n0.254372 0.768302 0.000000 O\n",
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{
"id": "mp-1227432",
"created_at": "2022-09-04T14:44:52.952380Z",
"structure_string": "Ce6 Mn1 Sb15\n1.0\n9.689727 7.811959 0.000000\n-9.689727 7.811959 0.000000\n0.000000 1.207960 4.173853\nCe Mn Sb\n6 1 15\ndirect\n0.324990 0.678700 0.920088 Ce\n0.678700 0.324990 0.920088 Ce\n0.270999 0.009049 0.784444 Ce\n0.725836 0.989863 0.068248 Ce\n0.989863 0.725836 0.068248 Ce\n0.009049 0.270999 0.784444 Ce\n0.277174 0.277174 0.648401 Mn\n0.162103 0.162103 0.261315 Sb\n0.843589 0.843589 0.589093 Sb\n0.479963 0.245573 0.558201 Sb\n0.535790 0.748927 0.279004 Sb\n0.748927 0.535790 0.279004 Sb\n0.245573 0.479963 0.558201 Sb\n0.400249 0.400249 0.023555 Sb\n0.596848 0.596848 0.823589 Sb\n0.512620 0.915166 0.708047 Sb\n0.488663 0.078450 0.138158 Sb\n0.078450 0.488663 0.138158 Sb\n0.915166 0.512620 0.708047 Sb\n0.196795 0.801453 0.424557 Sb\n0.801453 0.196795 0.424557 Sb\n0.992299 0.992299 0.964752 Sb\n",
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{
"id": "mp-753300",
"created_at": "2022-09-04T14:44:53.038221Z",
"structure_string": "Li4 Si8 Ni4 O24\n1.0\n5.343277 0.000000 0.000000\n2.671638 -4.652805 11.093481\n0.000000 -9.305610 0.000000\nLi Si Ni O\n4 8 4 24\ndirect\n0.125000 0.750000 0.625000 Li\n0.875000 0.250000 0.375000 Li\n0.625000 0.750000 0.125000 Li\n0.375000 0.250000 0.875000 Li\n0.958482 0.583036 0.458482 Si\n0.708482 0.083036 0.208482 Si\n0.458482 0.583036 0.958482 Si\n0.208482 0.083036 0.708482 Si\n0.291518 0.916964 0.291518 Si\n0.041518 0.416964 0.041518 Si\n0.791518 0.916964 0.791518 Si\n0.541518 0.416964 0.541518 Si\n0.375000 0.250000 0.375000 Ni\n0.125000 0.750000 0.125000 Ni\n0.625000 0.750000 0.625000 Ni\n0.875000 0.250000 0.875000 Ni\n0.750000 0.500000 0.487085 O\n0.500000 0.000000 0.237085 O\n0.250000 0.500000 0.987085 O\n0.000000 0.000000 0.737085 O\n0.250000 0.500000 0.512915 O\n0.000000 0.000000 0.262915 O\n0.750000 0.500000 0.012915 O\n0.500000 0.000000 0.762915 O\n0.902718 0.666416 0.561379 O\n0.652718 0.166416 0.311379 O\n0.402718 0.666416 0.061379 O\n0.152718 0.166416 0.811379 O\n0.347282 0.833584 0.477795 O\n0.097282 0.333584 0.227795 O\n0.847282 0.833584 0.977795 O\n0.597282 0.333584 0.727795 O\n0.319134 0.833584 0.188621 O\n0.069134 0.333584 0.938621 O\n0.819134 0.833584 0.688621 O\n0.569134 0.333584 0.438621 O\n0.930866 0.666416 0.272205 O\n0.680866 0.166416 0.022205 O\n0.430866 0.666416 0.772205 O\n0.180866 0.166416 0.522205 O\n",
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{
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{
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"elements": [
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"formula_full": "Li8 V4 F24",
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},
{
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"created_at": "2022-09-04T14:44:53.636550Z",
"structure_string": "K1 Mg1 Ni2 H3 Se2 O10\n1.0\n4.426595 3.081425 -2.187501\n4.427355 -3.154699 -2.369046\n0.552930 -0.172418 -8.411058\nK Mg Ni H Se O\n1 1 2 3 2 10\ndirect\n0.581381 0.411594 0.498075 K\n0.974103 0.489991 0.700402 Mg\n0.001589 0.480781 0.029885 Ni\n0.501245 0.031044 0.998043 Ni\n0.673904 0.825164 0.792981 H\n0.309692 0.294642 0.263066 H\n0.448475 0.463253 0.060366 H\n0.917680 0.890564 0.266648 Se\n0.135382 0.979995 0.695862 Se\n0.768483 0.749616 0.487865 O\n0.213672 0.255089 0.516194 O\n0.247334 0.794392 0.214695 O\n0.796373 0.221089 0.221600 O\n0.810197 0.175465 0.785537 O\n0.087499 0.834549 0.584269 O\n0.678834 0.674526 0.909686 O\n0.339484 0.337817 0.127733 O\n0.814196 0.794323 0.149571 O\n0.226814 0.286725 0.861854 O\n",
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"formula_full": "K1 Mg1 Ni2 H3 Se2 O10",
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}
]
}