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{
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{
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{
"id": "mp-1522797",
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"structure_string": "Ba1 Ti1 Nb1 Ga1 O6\n1.0\n-0.000000 -4.042636 -4.042636\n4.042636 -0.000000 -4.042636\n4.042636 -4.042636 0.000000\nBa Ti Nb Ga O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Ga\n0.748240 0.251760 0.251760 O\n0.251760 0.748240 0.748240 O\n0.748240 0.251760 0.748240 O\n0.251760 0.748240 0.251760 O\n0.748240 0.748240 0.251760 O\n0.251760 0.251760 0.748240 O\n",
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{
"id": "mp-759933",
"created_at": "2022-09-04T14:41:05.406024Z",
"structure_string": "Li8 Sn4 B8 O24\n1.0\n6.507451 0.000000 0.000000\n0.000000 8.154519 0.000000\n0.000000 4.330324 8.950303\nLi Sn B O\n8 4 8 24\ndirect\n0.993353 0.593569 0.506672 Li\n0.497897 0.429569 0.983454 Li\n0.476527 0.805583 0.453456 Li\n0.523473 0.805583 0.953456 Li\n0.169510 0.270018 0.145510 Li\n0.006647 0.593569 0.006672 Li\n0.830490 0.270018 0.645510 Li\n0.502103 0.429569 0.483454 Li\n0.203537 0.822714 0.171837 Sn\n0.796463 0.822714 0.671837 Sn\n0.709606 0.191479 0.307995 Sn\n0.290394 0.191479 0.807995 Sn\n0.091279 0.469006 0.807872 B\n0.605790 0.535108 0.698275 B\n0.575083 0.071328 0.120934 B\n0.081177 0.927039 0.389439 B\n0.424917 0.071328 0.620934 B\n0.918823 0.927039 0.889439 B\n0.908721 0.469006 0.307872 B\n0.394210 0.535108 0.198275 B\n0.546545 0.365573 0.712453 O\n0.054616 0.392503 0.707662 O\n0.223146 0.359414 0.925317 O\n0.712929 0.648663 0.567322 O\n0.578405 0.613539 0.794847 O\n0.447058 0.005865 0.040595 O\n0.192258 0.777148 0.466757 O\n0.019573 0.631308 0.796823 O\n0.571385 0.981677 0.276138 O\n0.097346 0.017232 0.233013 O\n0.686259 0.227623 0.064177 O\n0.931907 0.995471 0.454035 O\n0.552942 0.005865 0.540595 O\n0.807742 0.777148 0.966757 O\n0.428615 0.981677 0.776138 O\n0.902654 0.017232 0.733013 O\n0.453455 0.365573 0.212453 O\n0.313741 0.227623 0.564177 O\n0.068093 0.995471 0.954035 O\n0.945384 0.392503 0.207662 O\n0.776854 0.359414 0.425317 O\n0.287071 0.648663 0.067322 O\n0.421595 0.613539 0.294847 O\n0.980427 0.631308 0.296823 O\n",
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"formula_full": "Li8 Sn4 B8 O24",
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"spacegroup": 7
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{
"id": "mp-1516294",
"created_at": "2022-09-04T14:41:46.357039Z",
"structure_string": "Ba1 Sr1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.186562 -4.186562\n4.186562 0.000000 -4.186562\n4.186562 -4.186562 -0.000000\nBa Sr Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 -0.000000 Sn\n0.751482 0.248518 0.248518 O\n0.248518 0.751482 0.751482 O\n0.751482 0.248518 0.751482 O\n0.248518 0.751482 0.248518 O\n0.751482 0.751482 0.248518 O\n0.248518 0.248518 0.751482 O\n",
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"formula_full": "Ba1 Sr1 Zr1 Sn1 O6",
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{
"id": "mp-1521277",
"created_at": "2022-09-04T14:42:13.553137Z",
"structure_string": "K4 Ba4 La4 Se4 O24\n1.0\n8.409421 0.000000 0.000000\n0.000000 8.412126 0.000000\n0.000000 0.000000 8.425065\nK Ba La Se O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 Se\n0.750000 0.750000 0.250000 Se\n0.750000 0.250000 0.750000 Se\n0.250000 0.750000 0.750000 Se\n0.030257 0.238498 0.256728 O\n0.969743 0.761502 0.256728 O\n0.969743 0.238498 0.743272 O\n0.030257 0.761502 0.743272 O\n0.252303 0.030409 0.242596 O\n0.252303 0.969591 0.757404 O\n0.747697 0.969591 0.242596 O\n0.747697 0.030409 0.757404 O\n0.242736 0.257244 0.031006 O\n0.757264 0.257244 0.968994 O\n0.242736 0.742756 0.968994 O\n0.757264 0.742756 0.031006 O\n0.469743 0.261502 0.243272 O\n0.530257 0.738498 0.243272 O\n0.530257 0.261502 0.756728 O\n0.469743 0.738498 0.756728 O\n0.247697 0.469591 0.257404 O\n0.247697 0.530409 0.742596 O\n0.752303 0.530409 0.257404 O\n0.752303 0.469591 0.742596 O\n0.257264 0.242756 0.468994 O\n0.742736 0.242756 0.531006 O\n0.257264 0.757244 0.531006 O\n0.742736 0.757244 0.468994 O\n",
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{
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"structure_string": "Lu4 Mg1 Te10 O26\n1.0\n6.876641 -0.065924 0.303937\n2.174502 8.371483 0.118893\n-0.184075 -0.057897 11.205910\nLu Mg Te O\n4 1 10 26\ndirect\n0.989062 0.273771 0.764288 Lu\n0.552776 0.528367 0.185524 Lu\n0.999459 0.735470 0.247170 Lu\n0.436478 0.431245 0.812173 Lu\n0.390158 0.015588 0.783467 Mg\n0.861075 0.651307 0.896572 Te\n0.654910 0.075162 0.611706 Te\n0.118124 0.355293 0.105955 Te\n0.703176 0.115503 0.012461 Te\n0.447090 0.902291 0.303337 Te\n0.724879 0.604090 0.508053 Te\n0.841411 0.197342 0.344953 Te\n0.280681 0.867021 0.003780 Te\n0.158895 0.801333 0.655253 Te\n0.252357 0.402814 0.490605 Te\n0.526292 0.321684 0.988944 O\n0.675905 0.765537 0.230719 O\n0.926529 0.979617 0.304349 O\n0.649993 0.491994 0.379711 O\n0.235405 0.499643 0.187873 O\n0.034003 0.345079 0.569116 O\n0.043491 0.815656 0.062634 O\n0.660230 0.264651 0.220554 O\n0.930578 0.741494 0.735434 O\n0.865667 0.508991 0.107446 O\n0.465354 0.669480 0.022072 O\n0.936254 0.170366 0.943109 O\n0.113082 0.017183 0.710154 O\n0.962951 0.642757 0.433747 O\n0.296009 0.245972 0.784009 O\n0.347485 0.987620 0.135483 O\n0.753042 0.499976 0.816169 O\n0.311896 0.737608 0.288702 O\n0.330013 0.514633 0.620118 O\n0.359475 0.746995 0.771138 O\n0.471567 0.201400 0.491273 O\n0.068309 0.265633 0.267628 O\n0.118338 0.506932 0.902849 O\n0.687828 0.256348 0.703160 O\n0.547666 0.812048 0.477850 O\n0.623957 0.991249 0.889213 O\n",
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{
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{
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"structure_string": "Li4 Si2 O6\n1.0\n2.720000 -4.733696 0.000000\n2.720000 4.733696 0.000000\n0.000000 0.000000 4.719622\nLi Si O\n4 2 6\ndirect\n0.482001 0.829535 0.994299 Li\n0.517999 0.170465 0.494299 Li\n0.170465 0.517999 0.494299 Li\n0.829534 0.482001 0.994299 Li\n0.828277 0.828277 0.499537 Si\n0.171723 0.171723 0.999537 Si\n0.885214 0.885214 0.145415 O\n0.835779 0.545426 0.580826 O\n0.545426 0.835779 0.580826 O\n0.114786 0.114786 0.645415 O\n0.454574 0.164221 0.080826 O\n0.164221 0.454574 0.080826 O\n",
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{
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},
{
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"density": 2.47065522551363,
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"formula_full": "K3 H1 S2 O8",
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},
{
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"structure_string": "Sr8 Nb4 Bi4 O24\n1.0\n8.517326 0.000000 0.000000\n-0.000000 8.517326 0.000000\n0.000000 0.000000 8.517326\nSr Nb Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Nb\n0.250000 0.750000 0.750000 Nb\n0.750000 0.250000 0.750000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.213012 0.296898 0.480531 O\n0.213012 0.703102 0.519469 O\n0.786988 0.296898 0.519469 O\n0.786988 0.703102 0.480531 O\n0.296898 0.480531 0.213012 O\n0.703102 0.519469 0.213012 O\n0.296898 0.519469 0.786988 O\n0.703102 0.480531 0.786988 O\n0.480531 0.213012 0.296898 O\n0.519469 0.213012 0.703102 O\n0.519469 0.786988 0.296898 O\n0.480531 0.786988 0.703102 O\n0.286988 0.203102 0.019469 O\n0.286988 0.796898 0.980531 O\n0.713012 0.203102 0.980531 O\n0.713012 0.796898 0.019469 O\n0.203102 0.019469 0.286988 O\n0.796898 0.980531 0.286988 O\n0.203102 0.980531 0.713012 O\n0.796898 0.019469 0.713012 O\n0.019469 0.286988 0.203102 O\n0.980531 0.286988 0.796898 O\n0.980531 0.713012 0.203102 O\n0.019469 0.713012 0.796898 O\n",
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}