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{
"id": "mp-735828",
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{
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"structure_string": "K1 Sr1 N1\n1.0\n0.000000 -2.409619 3.289747\n2.620757 -3.115153 0.245617\n5.362655 2.190541 4.131842\nK Sr N\n1 1 1\ndirect\n0.115319 0.719023 0.050339 K\n0.651598 0.258305 0.438499 Sr\n0.363083 0.968672 0.305163 N\n",
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},
{
"id": "mp-849954",
"created_at": "2022-09-04T14:40:23.790061Z",
"structure_string": "Li40 Cr10 P20 O90\n1.0\n12.623856 0.000000 -0.277879\n0.000000 7.160877 0.000000\n-2.339878 0.000000 19.283124\nLi Cr P O\n40 10 20 90\ndirect\n0.094668 0.518099 0.949559 Li\n0.083678 0.266884 0.832035 Li\n0.104469 0.012072 0.701398 Li\n0.109542 0.793839 0.559631 Li\n0.094668 0.481901 0.449559 Li\n0.083678 0.733116 0.332035 Li\n0.104469 0.987928 0.201398 Li\n0.109542 0.206161 0.059631 Li\n0.289868 0.796378 0.975112 Li\n0.299073 0.953444 0.837184 Li\n0.303816 0.542548 0.846140 Li\n0.296220 0.972191 0.640392 Li\n0.289868 0.203622 0.475112 Li\n0.299073 0.046556 0.337184 Li\n0.303816 0.457452 0.346140 Li\n0.296220 0.027809 0.140392 Li\n0.518267 0.255087 0.865074 Li\n0.500000 0.580600 0.750000 Li\n0.481733 0.255087 0.634926 Li\n0.500000 0.000000 0.500000 Li\n0.518267 0.744913 0.365074 Li\n0.500000 0.419400 0.250000 Li\n0.481733 0.744913 0.134926 Li\n0.500000 0.000000 0.000000 Li\n0.703780 0.972191 0.859608 Li\n0.696184 0.542548 0.653860 Li\n0.700927 0.953444 0.662816 Li\n0.710132 0.796378 0.524888 Li\n0.703780 0.027809 0.359608 Li\n0.696184 0.457452 0.153860 Li\n0.700927 0.046556 0.162816 Li\n0.710132 0.203622 0.024888 Li\n0.890458 0.793839 0.940369 Li\n0.895531 0.012072 0.798602 Li\n0.916322 0.266884 0.667965 Li\n0.905332 0.518099 0.550441 Li\n0.890458 0.206161 0.440369 Li\n0.895531 0.987928 0.298602 Li\n0.916322 0.733116 0.167965 Li\n0.905332 0.481901 0.050441 Li\n0.100938 0.536909 0.699150 Cr\n0.100938 0.463091 0.199150 Cr\n0.298265 0.519971 0.598250 Cr\n0.298265 0.480029 0.098250 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.701735 0.519971 0.901750 Cr\n0.701735 0.480029 0.401750 Cr\n0.899062 0.536909 0.800850 Cr\n0.899062 0.463091 0.300850 Cr\n0.100128 0.801552 0.833804 P\n0.098455 0.241832 0.568392 P\n0.100128 0.198448 0.333804 P\n0.098455 0.758168 0.068392 P\n0.291584 0.256343 0.953356 P\n0.306086 0.277703 0.740900 P\n0.291584 0.743657 0.453356 P\n0.306086 0.722297 0.240900 P\n0.504160 0.796011 0.873517 P\n0.495840 0.796011 0.626483 P\n0.504160 0.203989 0.373517 P\n0.495840 0.203989 0.126483 P\n0.693914 0.277703 0.759100 P\n0.708416 0.256343 0.546644 P\n0.693914 0.722297 0.259100 P\n0.708416 0.743657 0.046644 P\n0.901545 0.241832 0.931608 P\n0.899872 0.801552 0.666196 P\n0.901545 0.758168 0.431608 P\n0.899872 0.198448 0.166196 P\n0.016760 0.665661 0.860868 O\n0.000000 0.428015 0.750000 O\n0.000302 0.271194 0.513429 O\n0.059406 0.002426 0.830382 O\n0.016760 0.334339 0.360868 O\n0.000000 0.571985 0.250000 O\n0.071388 0.316318 0.639878 O\n0.117995 0.757892 0.756940 O\n0.000302 0.728806 0.013429 O\n0.059406 0.997574 0.330382 O\n0.142448 0.044530 0.584406 O\n0.206046 0.763496 0.881370 O\n0.071388 0.683682 0.139878 O\n0.192766 0.331450 0.906550 O\n0.117995 0.242108 0.256940 O\n0.215464 0.415909 0.758911 O\n0.192602 0.637217 0.640434 O\n0.188044 0.364717 0.539832 O\n0.142448 0.955470 0.084406 O\n0.206046 0.236504 0.381370 O\n0.192766 0.668550 0.406550 O\n0.265153 0.075420 0.743114 O\n0.215464 0.584091 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{
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"structure_string": "Sr1 Li2 Pb1\n1.0\n0.000000 3.637507 3.637507\n3.637507 0.000000 3.637507\n3.637507 3.637507 0.000000\nSr Li Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Pb\n",
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{
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"structure_string": "Ca3 Fe2 Rh2 O12\n1.0\n4.420330 -4.620745 0.000000\n4.420330 4.620745 0.000000\n-0.409916 0.000000 6.381424\nCa Fe Rh O\n3 2 2 12\ndirect\n0.372733 0.627267 0.000000 Ca\n0.000000 0.372733 0.627267 Ca\n0.627267 0.000000 0.372733 Ca\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.245327 0.245327 0.245327 Rh\n0.754673 0.754673 0.754673 Rh\n0.846711 0.045116 0.712110 O\n0.712110 0.846711 0.045116 O\n0.045116 0.712110 0.846711 O\n0.153289 0.287890 0.954884 O\n0.954884 0.153289 0.287890 O\n0.287890 0.954884 0.153289 O\n0.648969 0.458151 0.769151 O\n0.769151 0.648969 0.458151 O\n0.458151 0.769151 0.648969 O\n0.351031 0.230849 0.541849 O\n0.230849 0.541849 0.351031 O\n0.541849 0.351031 0.230849 O\n",
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{
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"structure_string": "Mn6 Cr2 O16\n1.0\n2.884032 -4.995290 0.000000\n2.884032 4.995290 0.000000\n0.000000 0.000000 8.899738\nMn Cr O\n6 2 16\ndirect\n0.167912 0.832088 0.210896 Mn\n0.167912 0.335823 0.210896 Mn\n0.664177 0.832088 0.210896 Mn\n0.335823 0.167912 0.710896 Mn\n0.832088 0.664177 0.710896 Mn\n0.832088 0.167912 0.710896 Mn\n0.333333 0.666667 0.490508 Cr\n0.666667 0.333333 0.990508 Cr\n0.168237 0.831763 0.600679 O\n0.041500 0.520750 0.338420 O\n0.333333 0.666667 0.100302 O\n0.000000 0.000000 0.317186 O\n0.000000 0.000000 0.817186 O\n0.168237 0.336474 0.600679 O\n0.479250 0.958500 0.338420 O\n0.479250 0.520750 0.338420 O\n0.336474 0.168237 0.100679 O\n0.663526 0.831763 0.600679 O\n0.520750 0.479250 0.838420 O\n0.520750 0.041500 0.838420 O\n0.666667 0.333333 0.600302 O\n0.831763 0.663526 0.100679 O\n0.958500 0.479250 0.838420 O\n0.831763 0.168237 0.100679 O\n",
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{
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{
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"spacegroup": 14
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{
"id": "mp-510122",
"created_at": "2022-09-04T14:39:05.939073Z",
"structure_string": "Ce2 Pu8 Co6\n1.0\n-2.868290 4.713552 5.690981\n2.868290 -4.713552 5.690981\n2.868290 4.713552 -5.690981\nCe Pu Co\n2 8 6\ndirect\n0.500000 0.750000 0.250000 Ce\n0.500000 0.250000 0.750000 Ce\n0.675898 0.769743 0.906155 Pu\n0.134321 0.920007 0.214314 Pu\n0.865679 0.079993 0.785686 Pu\n0.324102 0.230257 0.093845 Pu\n0.294307 0.579993 0.714314 Pu\n0.705693 0.420007 0.285686 Pu\n0.863589 0.269743 0.593845 Pu\n0.136411 0.730257 0.406155 Pu\n0.000000 0.250000 0.250000 Co\n0.000000 0.750000 0.750000 Co\n0.175108 0.333496 0.841612 Co\n0.491884 0.833496 0.658388 Co\n0.508116 0.166504 0.341612 Co\n0.824892 0.666504 0.158388 Co\n",
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"elements": [
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"density": 13.951817132257803,
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{
"id": "mp-1023149",
"created_at": "2022-09-04T14:39:05.524906Z",
"structure_string": "Ca2 Mg12 Sb2\n1.0\n5.415906 0.000000 0.000000\n0.000000 6.292153 0.000000\n0.000000 0.000000 11.657814\nCa Mg Sb\n2 12 2\ndirect\n0.500000 0.000000 0.169532 Ca\n0.500000 0.500000 0.669532 Ca\n0.500000 0.248770 0.417475 Mg\n0.500000 0.751230 0.417475 Mg\n0.000000 0.746417 0.078809 Mg\n0.000000 0.253583 0.078809 Mg\n0.000000 0.000000 0.338071 Mg\n0.000000 0.500000 0.335576 Mg\n0.500000 0.748770 0.917475 Mg\n0.500000 0.251230 0.917475 Mg\n0.000000 0.246417 0.578809 Mg\n0.000000 0.753583 0.578809 Mg\n0.000000 0.500000 0.838071 Mg\n0.000000 0.000000 0.835576 Mg\n0.500000 0.500000 0.164250 Sb\n0.500000 0.000000 0.664250 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ca-Mg-Sb",
"density": 2.5720174292566838,
"density_atomic": 0.04027471430635562,
"volume": 397.2715952320261,
"volume_molar": 14.952659165231287,
"formula_full": "Ca2 Mg12 Sb2",
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{
"id": "mp-1206907",
"created_at": "2022-09-04T14:39:13.498552Z",
"structure_string": "Tl1 N1\n1.0\n3.159963 0.000000 0.000000\n0.000000 3.159963 0.000000\n0.000000 0.000000 3.159963\nTl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 N\n",
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"volume": 31.553387611378064,
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"formula_full": "Tl1 N1",
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"spacegroup": 221
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{
"id": "mp-1245623",
"created_at": "2022-09-04T14:39:06.298117Z",
"structure_string": "Li2 Mn4 N6\n1.0\n5.464041 -0.012166 0.000000\n-2.743021 4.750514 0.000000\n0.000000 0.000000 4.951892\nLi Mn N\n2 4 6\ndirect\n0.000000 0.665564 0.461128 Li\n0.000000 0.334436 0.961128 Li\n0.338108 0.330702 0.489606 Mn\n0.661891 0.992594 0.489606 Mn\n0.661891 0.669298 0.989606 Mn\n0.338108 0.007406 0.989606 Mn\n0.380607 0.337417 0.855966 N\n0.619393 0.956809 0.855966 N\n0.619393 0.662583 0.355966 N\n0.380607 0.043191 0.355966 N\n0.000000 0.719278 0.919727 N\n0.000000 0.280722 0.419727 N\n",
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"volume": 128.37102429538703,
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"formula_full": "Li2 Mn4 N6",
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}
]
}