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{
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{
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"structure_string": "K6 Sb2 Se8\n1.0\n5.685806 -5.888136 0.000000\n5.685806 5.888136 0.000000\n-0.411858 0.000000 8.174895\nK Sb Se\n6 2 8\ndirect\n0.474398 0.999291 0.544940 K\n0.544940 0.474398 0.999291 K\n0.999291 0.544940 0.474398 K\n0.044940 0.499291 0.974398 K\n0.974398 0.044940 0.499291 K\n0.499291 0.974398 0.044940 K\n0.998306 0.998306 0.998306 Sb\n0.498306 0.498306 0.498306 Sb\n0.170721 0.840894 0.800786 Se\n0.682164 0.682164 0.682164 Se\n0.300786 0.340894 0.670721 Se\n0.800786 0.170721 0.840894 Se\n0.840894 0.800786 0.170721 Se\n0.340894 0.670721 0.300786 Se\n0.670721 0.300786 0.340894 Se\n0.182164 0.182164 0.182164 Se\n",
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{
"id": "mp-1207669",
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"structure_string": "Tm4 O4 F4\n1.0\n5.469559 0.000000 0.000000\n0.000000 5.536127 0.000000\n0.000000 0.966043 5.457517\nTm O F\n4 4 4\ndirect\n0.473948 0.694880 0.712678 Tm\n0.526052 0.305120 0.287322 Tm\n0.973948 0.305120 0.787322 Tm\n0.026052 0.694880 0.212678 Tm\n0.246412 0.461383 0.510017 O\n0.753588 0.538617 0.489983 O\n0.746412 0.538617 0.989983 O\n0.253588 0.461383 0.010017 O\n0.174085 0.941813 0.844877 F\n0.825915 0.058187 0.155123 F\n0.674085 0.058187 0.655123 F\n0.325915 0.941813 0.344877 F\n",
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{
"id": "mp-775824",
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"structure_string": "Zr16 N16 O8\n1.0\n8.856554 0.000000 0.000000\n-2.938891 8.377978 0.000000\n-2.958128 -4.175189 7.257795\nZr N O\n16 16 8\ndirect\n0.010451 0.008547 0.516296 Zr\n0.241026 0.027563 0.280855 Zr\n0.036785 0.286557 0.250490 Zr\n0.460704 0.217711 0.755954 Zr\n0.781649 0.739391 0.030031 Zr\n0.288816 0.747701 0.531374 Zr\n0.488412 0.496861 0.486754 Zr\n0.509867 0.005847 0.007895 Zr\n0.739703 0.452954 0.210485 Zr\n0.000487 0.497365 0.989661 Zr\n0.255162 0.534782 0.789994 Zr\n0.726948 0.261558 0.471368 Zr\n0.211935 0.252075 0.968889 Zr\n0.962848 0.713973 0.748414 Zr\n0.537459 0.786215 0.249106 Zr\n0.758956 0.971095 0.710141 Zr\n0.045552 0.776310 0.034112 N\n0.227887 0.953500 0.487101 N\n0.465569 0.233503 0.009867 N\n0.723874 0.467568 0.953490 N\n0.259367 0.491002 0.532431 N\n0.737286 0.515119 0.464750 N\n0.239449 0.273094 0.726406 N\n0.772055 0.224929 0.237595 N\n0.273907 0.536629 0.050711 N\n0.008095 0.962740 0.735285 N\n0.537748 0.766456 0.991774 N\n0.969146 0.457592 0.727666 N\n0.271777 0.257224 0.230018 N\n0.771940 0.044323 0.508441 N\n0.489070 0.728935 0.457597 N\n0.947085 0.226607 0.964754 N\n0.515252 0.270753 0.544759 O\n0.725805 0.733941 0.772343 O\n0.033957 0.545296 0.273525 O\n0.986709 0.033247 0.262357 O\n0.229575 0.777104 0.764662 O\n0.763640 0.729603 0.271295 O\n0.540317 0.003757 0.774345 O\n0.453731 0.990576 0.227012 O\n",
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{
"id": "mp-1344288",
"created_at": "2022-09-04T14:41:03.716550Z",
"structure_string": "Ca4 Sb4 O10\n1.0\n4.271863 0.000000 0.000000\n0.000000 6.402259 0.000000\n0.000000 0.000000 10.300641\nCa Sb O\n4 4 10\ndirect\n0.000000 0.160359 0.360702 Ca\n0.000000 0.839641 0.639298 Ca\n0.000000 0.660359 0.139298 Ca\n0.000000 0.339641 0.860702 Ca\n0.500000 0.218924 0.107692 Sb\n0.500000 0.781076 0.892308 Sb\n0.500000 0.281076 0.607692 Sb\n0.500000 0.718924 0.392308 Sb\n0.500000 0.500000 0.000000 O\n0.500000 0.181716 0.790904 O\n0.500000 0.681716 0.709096 O\n0.500000 0.318284 0.290904 O\n0.000000 0.213489 0.621745 O\n0.000000 0.786511 0.378255 O\n0.500000 0.818284 0.209096 O\n0.000000 0.286511 0.121745 O\n0.500000 0.000000 0.500000 O\n0.000000 0.713489 0.878255 O\n",
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"volume": 281.71813646323506,
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"formula_full": "Ca4 Sb4 O10",
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{
"id": "mp-1026581",
"created_at": "2022-09-04T14:41:03.563127Z",
"structure_string": "Ba1 Sr1 Mg14\n1.0\n6.764228 0.033824 0.000000\n-3.352822 5.807257 0.000000\n0.000000 0.000000 10.823431\nBa Sr Mg\n1 1 14\ndirect\n0.167581 0.833790 0.125000 Ba\n0.175329 0.337664 0.125000 Sr\n0.162564 0.331282 0.625000 Mg\n0.162463 0.831231 0.625000 Mg\n0.666002 0.333046 0.125000 Mg\n0.669850 0.334378 0.625000 Mg\n0.666002 0.832955 0.125000 Mg\n0.669850 0.835472 0.625000 Mg\n0.343503 0.173739 0.397038 Mg\n0.343503 0.173739 0.852962 Mg\n0.343503 0.669765 0.397038 Mg\n0.343503 0.669765 0.852962 Mg\n0.823612 0.161806 0.381450 Mg\n0.823612 0.161806 0.868550 Mg\n0.819561 0.659781 0.385983 Mg\n0.819561 0.659781 0.864017 Mg\n",
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{
"id": "mp-1194043",
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"structure_string": "Er6 B6 O18\n1.0\n3.267627 5.650225 0.000000\n-3.267627 5.650225 0.000000\n0.000000 3.706089 8.824519\nEr B O\n6 6 18\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.170304 0.658676 0.999361 Er\n0.341324 0.829696 0.500639 Er\n0.829696 0.341324 0.000639 Er\n0.658676 0.170304 0.499361 Er\n0.917802 0.841005 0.746813 B\n0.158995 0.082198 0.753187 B\n0.082198 0.158995 0.253187 B\n0.841005 0.917802 0.246813 B\n0.674552 0.325448 0.750000 B\n0.325448 0.674552 0.250000 B\n0.966386 0.782084 0.601790 O\n0.217916 0.033614 0.898210 O\n0.033614 0.217916 0.398210 O\n0.782084 0.966386 0.101790 O\n0.870158 0.683540 0.888756 O\n0.316460 0.129842 0.611244 O\n0.129842 0.316460 0.111244 O\n0.683540 0.870158 0.388756 O\n0.517046 0.386035 0.892374 O\n0.613965 0.482954 0.607626 O\n0.482954 0.613965 0.107626 O\n0.386035 0.517046 0.392374 O\n0.916733 0.301582 0.751812 O\n0.698418 0.083267 0.748188 O\n0.083267 0.698418 0.248188 O\n0.301582 0.916733 0.251812 O\n0.136379 0.863621 0.750000 O\n0.863621 0.136379 0.250000 O\n",
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{
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{
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{
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"structure_string": "Sm1 Ge12 Pt4\n1.0\n-4.363993 4.363993 4.363993\n4.363993 -4.363993 4.363993\n4.363993 4.363993 -4.363993\nSm Ge Pt\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.848723 0.646658 0.495381 Ge\n0.151277 0.353342 0.504619 Ge\n0.151277 0.646658 0.797934 Ge\n0.848723 0.353342 0.202066 Ge\n0.646658 0.495381 0.848723 Ge\n0.353342 0.504619 0.151277 Ge\n0.646658 0.797934 0.151277 Ge\n0.353342 0.202066 0.848723 Ge\n0.495381 0.848723 0.646658 Ge\n0.504619 0.151277 0.353342 Ge\n0.202066 0.848723 0.353342 Ge\n0.797934 0.151277 0.646658 Ge\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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},
{
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"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-Cd-Mg",
"density": 2.428508820602485,
"density_atomic": 0.03965999636513071,
"volume": 403.4291847305182,
"volume_molar": 15.184420857120148,
"formula_full": "Ba1 Mg14 Cd1",
"formula_reduced": "BaMg14Cd",
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"updated_at": "2021-11-28T01:35:23.575000Z",
"spacegroup": 38
},
{
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"created_at": "2022-09-04T14:41:03.680598Z",
"structure_string": "Ag1 Bi1 S2\n1.0\n4.034830 0.000000 0.000000\n0.000000 4.034830 0.000000\n0.000000 0.000000 5.556661\nAg Bi S\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n",
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"density_atomic": 0.04421764479087515,
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"formula_full": "Ag1 Bi1 S2",
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"updated_at": "2021-11-28T01:35:11.237000Z",
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]
}