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{
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{
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"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n6.008962 0.000000 0.000000\n-2.140490 6.190665 0.000000\n-0.938111 -3.395066 7.134261\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.084355 0.456545 0.246308 K\n0.915645 0.543455 0.753692 K\n0.000000 0.000000 0.000000 Mg\n0.571973 0.904573 0.760776 Mo\n0.428027 0.095427 0.239224 Mo\n0.637638 0.582157 0.284391 H\n0.362362 0.417843 0.715609 H\n0.748392 0.751294 0.376266 H\n0.251608 0.248706 0.623734 H\n0.740116 0.202572 0.620550 O\n0.259884 0.797428 0.379450 O\n0.620180 0.733402 0.616489 O\n0.379820 0.266598 0.383511 O\n0.705570 0.841123 0.921365 O\n0.294430 0.158877 0.078635 O\n0.219200 0.818792 0.890094 O\n0.780800 0.181208 0.109906 O\n0.795696 0.720835 0.257678 O\n0.204304 0.279165 0.742322 O\n",
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"formula_full": "K2 Mg1 Mo2 H4 O10",
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{
"id": "mp-677179",
"created_at": "2022-09-04T14:40:41.177897Z",
"structure_string": "Ba4 Na4 In8 P12 O48\n1.0\n10.295426 0.000000 0.000000\n0.000000 10.295426 0.000000\n0.000000 0.000000 10.295426\nBa Na In P O\n4 4 8 12 48\ndirect\n0.194171 0.305829 0.694171 Ba\n0.305829 0.694171 0.194171 Ba\n0.694171 0.194171 0.305829 Ba\n0.805829 0.805829 0.805829 Ba\n0.074411 0.074411 0.074411 Na\n0.425589 0.925589 0.574411 Na\n0.574411 0.425589 0.925589 Na\n0.925589 0.574411 0.425589 Na\n0.089850 0.910150 0.410150 In\n0.169201 0.669201 0.830799 In\n0.330799 0.330799 0.330799 In\n0.410150 0.089850 0.910150 In\n0.589850 0.589850 0.589850 In\n0.669201 0.830799 0.169201 In\n0.830799 0.169201 0.669201 In\n0.910150 0.410150 0.089850 In\n0.013567 0.224069 0.373068 P\n0.126932 0.986433 0.724069 P\n0.224069 0.373068 0.013567 P\n0.275931 0.626932 0.513567 P\n0.373068 0.013567 0.224069 P\n0.486433 0.775931 0.873068 P\n0.513567 0.275931 0.626932 P\n0.626932 0.513567 0.275931 P\n0.724069 0.126932 0.986433 P\n0.775931 0.873068 0.486433 P\n0.873068 0.486433 0.775931 P\n0.986433 0.724069 0.126932 P\n0.025881 0.086071 0.310629 O\n0.014776 0.085443 0.719758 O\n0.047101 0.818043 0.225653 O\n0.077196 0.851653 0.771263 O\n0.086071 0.310629 0.025881 O\n0.085443 0.719758 0.014776 O\n0.148347 0.271263 0.422804 O\n0.181957 0.725653 0.452899 O\n0.219758 0.485224 0.914557 O\n0.189371 0.974119 0.586071 O\n0.225653 0.047101 0.818043 O\n0.228737 0.577196 0.648347 O\n0.271263 0.422804 0.148347 O\n0.274347 0.952899 0.318043 O\n0.310629 0.025881 0.086071 O\n0.280242 0.514776 0.414557 O\n0.318043 0.274347 0.952899 O\n0.351653 0.728737 0.922804 O\n0.414557 0.280242 0.514776 O\n0.413929 0.689371 0.525881 O\n0.422804 0.148347 0.271263 O\n0.452899 0.181957 0.725653 O\n0.485224 0.914557 0.219758 O\n0.474119 0.913929 0.810629 O\n0.525881 0.413929 0.689371 O\n0.514776 0.414557 0.280242 O\n0.547101 0.681957 0.774347 O\n0.577196 0.648347 0.228737 O\n0.586071 0.189371 0.974119 O\n0.585443 0.780242 0.985224 O\n0.648347 0.228737 0.577196 O\n0.681957 0.774347 0.547101 O\n0.719758 0.014776 0.085443 O\n0.689371 0.525881 0.413929 O\n0.725653 0.452899 0.181957 O\n0.728737 0.922804 0.351653 O\n0.771263 0.077196 0.851653 O\n0.774347 0.547101 0.681957 O\n0.810629 0.474119 0.913929 O\n0.780242 0.985224 0.585443 O\n0.818043 0.225653 0.047101 O\n0.851653 0.771263 0.077196 O\n0.914557 0.219758 0.485224 O\n0.913929 0.810629 0.474119 O\n0.922804 0.351653 0.728737 O\n0.952899 0.318043 0.274347 O\n0.985224 0.585443 0.780242 O\n0.974119 0.586071 0.189371 O\n",
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"volume_molar": 8.647095875215765,
"formula_full": "Ba4 Na4 In8 P12 O48",
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"spacegroup": 198
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{
"id": "mp-1009830",
"created_at": "2022-09-04T14:40:41.188639Z",
"structure_string": "Be2 Zn1\n1.0\n0.000000 2.127437 5.873942\n1.274573 0.000000 5.873942\n1.274573 2.127437 0.000000\nBe Zn\n2 1\ndirect\n0.823778 0.823778 0.176222 Be\n0.176222 0.176222 0.823778 Be\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:40:41.189159Z",
"structure_string": "Hf1 Be1 Rh2\n1.0\n0.000000 3.070972 3.070972\n3.070972 0.000000 3.070972\n3.070972 3.070972 0.000000\nHf Be Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"formula_full": "Hf1 Be1 Rh2",
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{
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"structure_string": "Sr2 Sm4 Se8\n1.0\n-4.503230 4.503230 4.492161\n4.503230 -4.503230 4.492161\n4.503230 4.503230 -4.492161\nSr Sm Se\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.125000 0.500589 0.875589 Sm\n0.499411 0.375000 0.624411 Sm\n0.625000 0.249411 0.124411 Sm\n0.750589 0.875000 0.375589 Sm\n0.862739 0.614489 0.096075 Se\n0.864489 0.612739 0.596075 Se\n0.385511 0.481587 0.248251 Se\n0.016664 0.268413 0.403925 Se\n0.233336 0.137261 0.751749 Se\n0.518413 0.766664 0.903925 Se\n0.387261 0.983336 0.251749 Se\n0.731587 0.135511 0.748251 Se\n",
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{
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{
"id": "mp-757674",
"created_at": "2022-09-04T14:40:42.874670Z",
"structure_string": "Mg17 Si16 O48\n1.0\n8.933341 0.000000 0.000000\n0.000000 9.488114 0.000000\n0.000000 0.134818 10.858863\nMg Si O\n17 16 48\ndirect\n0.103018 0.011020 0.753081 Mg\n0.738980 0.003336 0.751509 Mg\n0.261919 0.000000 0.500000 Mg\n0.895862 0.000000 0.000000 Mg\n0.261736 0.000000 0.000000 Mg\n0.103018 0.988980 0.246919 Mg\n0.738980 0.996664 0.248491 Mg\n0.895686 0.000000 0.500000 Mg\n0.764666 0.500000 0.500000 Mg\n0.130520 0.500000 0.500000 Mg\n0.440742 0.500000 0.500000 Mg\n0.609876 0.499383 0.248350 Mg\n0.759492 0.500000 0.000000 Mg\n0.251788 0.497983 0.244244 Mg\n0.402743 0.500000 0.000000 Mg\n0.609876 0.500617 0.751650 Mg\n0.251788 0.502017 0.755756 Mg\n0.589481 0.208838 0.906942 Si\n0.409512 0.206797 0.156420 Si\n0.412343 0.211732 0.655361 Si\n0.593291 0.206383 0.405017 Si\n0.091310 0.292566 0.907830 Si\n0.086688 0.268693 0.392428 Si\n0.912783 0.290649 0.658168 Si\n0.904096 0.285746 0.150896 Si\n0.091310 0.707434 0.092170 Si\n0.904096 0.714254 0.849104 Si\n0.086688 0.731307 0.607572 Si\n0.912783 0.709351 0.341832 Si\n0.412343 0.788268 0.344639 Si\n0.409512 0.793203 0.843580 Si\n0.589481 0.791162 0.093058 Si\n0.593291 0.793617 0.594983 Si\n0.744737 0.122850 0.907767 O\n0.747635 0.118649 0.404438 O\n0.255889 0.126447 0.654588 O\n0.254073 0.119568 0.158752 O\n0.096931 0.120022 0.914519 O\n0.900322 0.114047 0.157846 O\n0.903943 0.119457 0.663120 O\n0.088252 0.100422 0.407071 O\n0.482093 0.155547 0.520246 O\n0.476049 0.152456 0.019557 O\n0.523321 0.153156 0.269619 O\n0.522588 0.155215 0.769861 O\n0.018122 0.336025 0.263330 O\n0.022526 0.345835 0.770872 O\n0.973217 0.346201 0.016477 O\n0.983496 0.337137 0.513016 O\n0.409282 0.379701 0.160543 O\n0.414131 0.385964 0.660052 O\n0.595053 0.381741 0.911497 O\n0.602087 0.379855 0.411140 O\n0.247173 0.379246 0.909604 O\n0.242988 0.362175 0.401581 O\n0.750576 0.375028 0.154596 O\n0.761080 0.382499 0.654990 O\n0.247173 0.620754 0.090396 O\n0.761080 0.617501 0.345010 O\n0.750576 0.624972 0.845404 O\n0.242988 0.637825 0.598419 O\n0.414131 0.614036 0.339948 O\n0.409282 0.620299 0.839457 O\n0.595053 0.618259 0.088503 O\n0.602087 0.620145 0.588860 O\n0.022526 0.654165 0.229128 O\n0.018122 0.663975 0.736670 O\n0.973217 0.653799 0.983523 O\n0.983496 0.662863 0.486984 O\n0.523321 0.846844 0.730381 O\n0.482093 0.844453 0.479754 O\n0.476049 0.847544 0.980443 O\n0.522588 0.844785 0.230139 O\n0.900322 0.885953 0.842154 O\n0.096931 0.879978 0.085481 O\n0.088252 0.899578 0.592929 O\n0.903943 0.880543 0.336880 O\n0.254073 0.880432 0.841248 O\n0.255889 0.873553 0.345412 O\n0.744737 0.877150 0.092233 O\n0.747635 0.881351 0.595562 O\n",
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"formula_full": "Mg17 Si16 O48",
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{
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"structure_string": "Ce4 I8 O24\n1.0\n11.501034 0.000000 0.000000\n0.000000 7.130532 0.000000\n0.000000 5.474709 7.082330\nCe I O\n4 8 24\ndirect\n0.935543 0.217476 0.782623 Ce\n0.435543 0.782524 0.717377 Ce\n0.564457 0.217476 0.282623 Ce\n0.064457 0.782524 0.217377 Ce\n0.103680 0.781507 0.681093 I\n0.603680 0.218493 0.818907 I\n0.253453 0.277390 0.675902 I\n0.753453 0.722610 0.824098 I\n0.246547 0.277390 0.175902 I\n0.746547 0.722610 0.324098 I\n0.396320 0.781507 0.181093 I\n0.896320 0.218493 0.318907 I\n0.106151 0.399477 0.557241 O\n0.497501 0.459059 0.720838 O\n0.917320 0.070890 0.575455 O\n0.738785 0.384472 0.786471 O\n0.238785 0.615528 0.713529 O\n0.549267 0.070420 0.583187 O\n0.997501 0.540941 0.779162 O\n0.268280 0.045803 0.631524 O\n0.768280 0.954197 0.868476 O\n0.393849 0.399477 0.057241 O\n0.049267 0.929580 0.916813 O\n0.582680 0.070890 0.075455 O\n0.417320 0.929110 0.924545 O\n0.950733 0.070420 0.083187 O\n0.606151 0.600523 0.942759 O\n0.231720 0.045803 0.131524 O\n0.731720 0.954197 0.368476 O\n0.002499 0.459059 0.220838 O\n0.450733 0.929580 0.416813 O\n0.761215 0.384472 0.286471 O\n0.261215 0.615528 0.213529 O\n0.082680 0.929110 0.424545 O\n0.502499 0.540941 0.279162 O\n0.893849 0.600523 0.442759 O\n",
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},
{
"id": "mp-1187391",
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"structure_string": "Tc6 C2\n1.0\n2.668607 -4.622163 0.000000\n2.668607 4.622163 0.000000\n0.000000 0.000000 4.097025\nTc C\n6 2\ndirect\n0.174353 0.348706 0.250000 Tc\n0.651294 0.825647 0.250000 Tc\n0.174353 0.825647 0.250000 Tc\n0.825647 0.651294 0.750000 Tc\n0.348706 0.174353 0.750000 Tc\n0.825647 0.174353 0.750000 Tc\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n",
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},
{
"id": "mp-558424",
"created_at": "2022-09-04T14:40:52.740821Z",
"structure_string": "Rb8 U4 Cr4 I8 O48\n1.0\n7.450678 0.000000 0.000000\n0.000000 11.542427 0.000000\n0.000000 4.801465 15.688035\nRb U Cr I O\n8 4 4 8 48\ndirect\n0.251475 0.499353 0.444384 Rb\n0.249660 0.747445 0.139646 Rb\n0.748525 0.500647 0.555616 Rb\n0.750340 0.252555 0.860354 Rb\n0.751475 0.500647 0.055616 Rb\n0.749660 0.252555 0.360354 Rb\n0.250340 0.747445 0.639646 Rb\n0.248525 0.499353 0.944384 Rb\n0.487655 0.164466 0.132315 U\n0.987655 0.835534 0.367685 U\n0.012345 0.164466 0.632315 U\n0.512345 0.835534 0.867685 U\n0.738033 0.922684 0.053218 Cr\n0.761967 0.922684 0.553218 Cr\n0.261967 0.077316 0.946782 Cr\n0.238033 0.077316 0.446782 Cr\n0.517509 0.166640 0.606482 I\n0.017509 0.833360 0.893518 I\n0.718098 0.603791 0.776189 I\n0.482491 0.833360 0.393518 I\n0.281902 0.396209 0.223811 I\n0.982491 0.166640 0.106482 I\n0.781902 0.603791 0.276190 I\n0.218098 0.396209 0.723811 I\n0.291670 0.080909 0.049866 O\n0.823818 0.786756 0.838511 O\n0.891789 0.512096 0.217376 O\n0.975258 0.295100 0.011919 O\n0.682475 0.063334 0.062435 O\n0.522705 0.702697 0.782085 O\n0.977295 0.702697 0.282085 O\n0.980824 0.968081 0.274819 O\n0.379386 0.183839 0.881823 O\n0.176182 0.213244 0.161489 O\n0.204793 0.788737 0.834296 O\n0.182475 0.936666 0.437565 O\n0.676182 0.786756 0.338511 O\n0.791670 0.919091 0.450134 O\n0.477295 0.297303 0.217915 O\n0.022705 0.297303 0.717915 O\n0.996409 0.702527 0.461073 O\n0.784922 0.499571 0.382547 O\n0.817525 0.063334 0.562435 O\n0.003591 0.297473 0.538927 O\n0.795207 0.211263 0.165704 O\n0.708330 0.919091 0.950134 O\n0.475258 0.704900 0.488081 O\n0.480824 0.031919 0.225181 O\n0.879386 0.816161 0.618177 O\n0.524742 0.295100 0.511919 O\n0.448553 0.098753 0.421926 O\n0.295207 0.788737 0.334296 O\n0.496409 0.297473 0.038927 O\n0.608211 0.512096 0.717376 O\n0.391789 0.487904 0.282624 O\n0.317525 0.936666 0.937565 O\n0.323818 0.213244 0.661489 O\n0.215078 0.500429 0.617453 O\n0.024742 0.704900 0.988081 O\n0.503591 0.702527 0.961073 O\n0.519176 0.968081 0.774819 O\n0.120614 0.183839 0.381823 O\n0.019176 0.031919 0.725181 O\n0.108211 0.487904 0.782624 O\n0.208330 0.080909 0.549866 O\n0.620614 0.816161 0.118177 O\n0.551447 0.901247 0.578074 O\n0.284922 0.500429 0.117453 O\n0.051447 0.098753 0.921926 O\n0.948553 0.901247 0.078074 O\n0.704793 0.211263 0.665704 O\n0.715078 0.499571 0.882547 O\n",
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"formula_full": "Rb8 U4 Cr4 I8 O48",
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}
]
}