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{
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"results": [
{
"id": "mp-560254",
"created_at": "2022-09-04T14:39:11.485661Z",
"structure_string": "Rb4 H12 W4 O28\n1.0\n6.541848 0.000000 0.000000\n-2.102857 8.013776 0.000000\n-0.647565 -3.931944 12.029665\nRb H W O\n4 12 4 28\ndirect\n0.216001 0.242519 0.860700 Rb\n0.098629 0.262494 0.539111 Rb\n0.783999 0.757481 0.139300 Rb\n0.901371 0.737506 0.460889 Rb\n0.397530 0.006910 0.082222 H\n0.603380 0.574817 0.666843 H\n0.362089 0.691318 0.275316 H\n0.673100 0.491428 0.812590 H\n0.326900 0.508572 0.187410 H\n0.781096 0.749551 0.728060 H\n0.602470 0.993090 0.917778 H\n0.218904 0.250449 0.271940 H\n0.637911 0.308682 0.724684 H\n0.164562 0.022921 0.065523 H\n0.396620 0.425183 0.333157 H\n0.835438 0.977079 0.934477 H\n0.184327 0.707063 0.875416 W\n0.560514 0.125030 0.342411 W\n0.439486 0.874970 0.657589 W\n0.815673 0.292937 0.124584 W\n0.762218 0.363651 0.411673 O\n0.573899 0.325798 0.040565 O\n0.783546 0.397616 0.004339 O\n0.714467 0.059172 0.731070 O\n0.643790 0.292589 0.494476 O\n0.356210 0.707411 0.505524 O\n0.334605 0.304853 0.336728 O\n0.237782 0.636349 0.588327 O\n0.113515 0.299516 0.090269 O\n0.573283 0.405476 0.748436 O\n0.266110 0.963740 0.027271 O\n0.426717 0.594524 0.251564 O\n0.665395 0.695147 0.663272 O\n0.887122 0.486946 0.238101 O\n0.734725 0.994186 0.349064 O\n0.305211 0.996982 0.393578 O\n0.112878 0.513054 0.761899 O\n0.610590 0.142476 0.190268 O\n0.285533 0.940828 0.268930 O\n0.265275 0.005814 0.650936 O\n0.694789 0.003018 0.606422 O\n0.216454 0.602384 0.995661 O\n0.733890 0.036260 0.972729 O\n0.957625 0.827074 0.845608 O\n0.886485 0.700484 0.909731 O\n0.389410 0.857524 0.809732 O\n0.042375 0.172926 0.154392 O\n0.426101 0.674202 0.959435 O\n",
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],
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"formula_full": "Rb4 H12 W4 O28",
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"spacegroup": 2
},
{
"id": "mp-1207926",
"created_at": "2022-09-04T14:39:11.500600Z",
"structure_string": "Yb2 Fe2 C12 N12 O8\n1.0\n3.823976 -6.687107 0.000000\n3.823976 6.687107 0.000000\n0.000000 0.000000 13.199385\nYb Fe C N O\n2 2 12 12 8\ndirect\n0.666003 0.333997 0.250000 Yb\n0.333997 0.666003 0.750000 Yb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.869573 0.130427 0.068386 C\n0.130427 0.869573 0.931615 C\n0.130427 0.869573 0.568386 C\n0.869573 0.130427 0.431615 C\n0.867096 0.768758 0.090542 C\n0.132904 0.231242 0.909458 C\n0.132904 0.231242 0.590542 C\n0.231242 0.132904 0.409458 C\n0.867096 0.768758 0.409458 C\n0.768758 0.867096 0.590542 C\n0.768758 0.867096 0.909458 C\n0.231242 0.132904 0.090542 C\n0.789606 0.624641 0.140894 N\n0.210394 0.375359 0.859106 N\n0.210394 0.375359 0.640894 N\n0.375359 0.210394 0.359106 N\n0.789606 0.624641 0.359106 N\n0.624641 0.789606 0.640894 N\n0.624641 0.789606 0.859106 N\n0.375359 0.210394 0.140894 N\n0.793523 0.206477 0.112066 N\n0.206477 0.793523 0.887934 N\n0.206477 0.793523 0.612066 N\n0.793523 0.206477 0.387934 N\n0.164115 0.569722 0.250000 O\n0.835885 0.430278 0.750000 O\n0.430278 0.835885 0.250000 O\n0.569722 0.164115 0.750000 O\n0.324367 0.675633 0.172767 O\n0.675633 0.324367 0.827233 O\n0.675633 0.324367 0.672767 O\n0.324367 0.675633 0.327233 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "C-Fe-N-O-Yb",
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"density_atomic": 0.05332923800021568,
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"formula_full": "Yb2 Fe2 C12 N12 O8",
"formula_reduced": "YbFeC6(N3O2)2",
"formula_anonymous": "ABC4D6E6",
"energy": -262.4355168,
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"spacegroup": 63
},
{
"id": "mp-1225156",
"created_at": "2022-09-04T14:39:11.685349Z",
"structure_string": "Er1 Mn6 Ga6\n1.0\n0.000000 0.000000 4.886314\n-4.411812 4.411812 2.443157\n-4.522879 -4.522879 -2.443157\nEr Mn Ga\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.650732 0.349268 0.650733 Mn\n0.349268 0.650732 0.349267 Mn\n0.999999 0.349268 0.349267 Mn\n0.000001 0.650732 0.650733 Mn\n0.750727 0.738401 0.239855 Ga\n0.249273 0.261599 0.760145 Ga\n0.510872 0.738401 0.760145 Ga\n0.489128 0.261599 0.239855 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Er-Ga-Mn",
"density": 7.793522003678391,
"density_atomic": 0.06666532765215948,
"volume": 195.00391669610121,
"volume_molar": 9.03339257765566,
"formula_full": "Er1 Mn6 Ga6",
"formula_reduced": "Er(MnGa)6",
"formula_anonymous": "AB6C6",
"energy": -78.98207293,
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"updated_at": "2021-11-28T01:34:28.711000Z",
"spacegroup": 69
},
{
"id": "mp-1248468",
"created_at": "2022-09-04T14:39:11.465129Z",
"structure_string": "Na4 Ca4 Al4 Si8 O28\n1.0\n11.504440 0.000000 0.000000\n0.000000 7.685079 0.000000\n0.000000 0.000000 7.872505\nNa Ca Al Si O\n4 4 4 8 28\ndirect\n0.913184 0.768233 0.283973 Na\n0.586816 0.731767 0.783973 Na\n0.413184 0.231767 0.716027 Na\n0.086816 0.268233 0.216027 Na\n0.104750 0.066007 0.594022 Ca\n0.395250 0.433993 0.094022 Ca\n0.604750 0.933993 0.405978 Ca\n0.895250 0.566007 0.905978 Ca\n0.991728 0.992197 0.990598 Al\n0.491728 0.007803 0.009402 Al\n0.508272 0.507803 0.490598 Al\n0.008272 0.492197 0.509402 Al\n0.642071 0.651660 0.136929 Si\n0.635544 0.358157 0.853445 Si\n0.864456 0.141843 0.353445 Si\n0.857929 0.848340 0.636929 Si\n0.142071 0.348340 0.863071 Si\n0.135544 0.641843 0.146555 Si\n0.357929 0.151660 0.363071 Si\n0.364456 0.858157 0.646555 Si\n0.082642 0.481589 0.008603 O\n0.082849 0.153931 0.900125 O\n0.060947 0.808583 0.078753 O\n0.074171 0.582233 0.327492 O\n0.090178 0.398305 0.675722 O\n0.220044 0.158174 0.381050 O\n0.227099 0.859067 0.647216 O\n0.272901 0.640933 0.147216 O\n0.279956 0.341826 0.881050 O\n0.425829 0.917767 0.827492 O\n0.439053 0.691417 0.578753 O\n0.417151 0.346069 0.400125 O\n0.409822 0.101695 0.175722 O\n0.417358 0.018411 0.508602 O\n0.582642 0.518411 0.991398 O\n0.582849 0.846069 0.099875 O\n0.590178 0.601695 0.324278 O\n0.574171 0.417767 0.672508 O\n0.560947 0.191417 0.921247 O\n0.727099 0.140933 0.352784 O\n0.720044 0.841826 0.618950 O\n0.772901 0.359067 0.852784 O\n0.779956 0.658174 0.118950 O\n0.909822 0.898305 0.824278 O\n0.917151 0.653931 0.599875 O\n0.939053 0.308583 0.421247 O\n0.925829 0.082233 0.172508 O\n0.917358 0.981589 0.491397 O\n",
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"formula_full": "Na4 Ca4 Al4 Si8 O28",
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"spacegroup": 19
},
{
"id": "mp-6721",
"created_at": "2022-09-04T14:39:11.467392Z",
"structure_string": "Sr6 Li2 Ru2 O12\n1.0\n4.679512 -4.869461 0.000000\n4.679512 4.869461 0.000000\n-0.387607 0.000000 6.742347\nSr Li Ru O\n6 2 2 12\ndirect\n0.891695 0.608305 0.250000 Sr\n0.608305 0.250000 0.891695 Sr\n0.750000 0.108305 0.391695 Sr\n0.391695 0.750000 0.108305 Sr\n0.108305 0.391695 0.750000 Sr\n0.250000 0.891695 0.608305 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.780316 0.452529 0.582631 O\n0.917369 0.047471 0.719684 O\n0.719684 0.917369 0.047471 O\n0.047471 0.719684 0.917369 O\n0.582631 0.780316 0.452529 O\n0.452529 0.582631 0.780316 O\n0.417369 0.219684 0.547471 O\n0.547471 0.417369 0.219684 O\n0.952529 0.280316 0.082631 O\n0.280316 0.082631 0.952529 O\n0.082631 0.952529 0.280316 O\n0.219684 0.547471 0.417369 O\n",
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"volume": 307.2716927226245,
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"formula_full": "Sr6 Li2 Ru2 O12",
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},
{
"id": "mp-1095516",
"created_at": "2022-09-04T14:39:11.467834Z",
"structure_string": "K2 Fe4 Se6\n1.0\n4.555083 -5.716603 0.000000\n4.555083 5.716603 0.000000\n0.000000 0.000000 5.359461\nK Fe Se\n2 4 6\ndirect\n0.333579 0.666421 0.750000 K\n0.666421 0.333579 0.250000 K\n0.143615 0.143615 0.000000 Fe\n0.143615 0.143615 0.500000 Fe\n0.856385 0.856385 0.000000 Fe\n0.856385 0.856385 0.500000 Fe\n0.881621 0.118379 0.750000 Se\n0.118379 0.881621 0.250000 Se\n0.395786 0.170371 0.750000 Se\n0.170371 0.395786 0.250000 Se\n0.604214 0.829629 0.250000 Se\n0.829629 0.604214 0.750000 Se\n",
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{
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"structure_string": "S8 N16 O24\n1.0\n7.736456 0.000000 0.000000\n0.000000 7.999116 0.000000\n0.000000 0.000000 14.857496\nS N O\n8 16 24\ndirect\n0.619471 0.150577 0.140158 S\n0.119471 0.349423 0.859842 S\n0.380529 0.650577 0.359842 S\n0.880529 0.849423 0.640158 S\n0.380529 0.849423 0.859842 S\n0.880529 0.650577 0.140158 S\n0.619471 0.349423 0.640158 S\n0.119471 0.150577 0.359842 S\n0.134575 0.137625 0.081125 N\n0.634575 0.362375 0.918875 N\n0.865425 0.637625 0.418875 N\n0.365425 0.862375 0.581125 N\n0.865425 0.862375 0.918875 N\n0.365425 0.637625 0.081125 N\n0.134575 0.362375 0.581125 N\n0.634575 0.137625 0.418875 N\n0.508188 0.983973 0.172318 N\n0.008188 0.516027 0.827682 N\n0.491812 0.483973 0.327682 N\n0.991812 0.016027 0.672318 N\n0.491812 0.016027 0.827682 N\n0.991812 0.483973 0.172318 N\n0.508188 0.516027 0.672318 N\n0.008188 0.983973 0.327682 N\n0.726444 0.201975 0.216925 O\n0.226444 0.298025 0.783075 O\n0.273556 0.701975 0.283075 O\n0.773556 0.798025 0.716925 O\n0.273556 0.798025 0.783075 O\n0.773556 0.701975 0.216925 O\n0.726444 0.298025 0.716925 O\n0.226444 0.201975 0.283075 O\n0.489941 0.275373 0.114619 O\n0.989941 0.224627 0.885381 O\n0.510059 0.775373 0.385381 O\n0.010059 0.724627 0.614619 O\n0.510059 0.724627 0.885381 O\n0.010059 0.775373 0.114619 O\n0.489941 0.224627 0.614619 O\n0.989941 0.275373 0.385381 O\n0.723862 0.095768 0.062600 O\n0.223862 0.404232 0.937400 O\n0.276138 0.595768 0.437400 O\n0.776138 0.904232 0.562600 O\n0.276138 0.904232 0.937400 O\n0.776138 0.595768 0.062600 O\n0.723862 0.404232 0.562600 O\n0.223862 0.095768 0.437400 O\n",
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"formula_full": "S8 N16 O24",
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},
{
"id": "mp-1222234",
"created_at": "2022-09-04T14:39:11.485559Z",
"structure_string": "Mn4 Fe1 S5\n1.0\n1.790199 5.910917 0.000000\n-1.790199 5.910917 0.000000\n0.000000 4.350510 7.554227\nMn Fe S\n4 1 5\ndirect\n0.602483 0.602483 0.600249 Mn\n0.201161 0.201161 0.193606 Mn\n0.798839 0.798839 0.806394 Mn\n0.397517 0.397517 0.399751 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 S\n0.596107 0.596107 0.100174 S\n0.199058 0.199058 0.704581 S\n0.800942 0.800942 0.295419 S\n0.403893 0.403893 0.899826 S\n",
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"formula_full": "Mn4 Fe1 S5",
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"energy": -72.38815496,
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},
{
"id": "mp-1098280",
"created_at": "2022-09-04T14:39:11.486737Z",
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