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{
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{
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{
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{
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{
"id": "mp-1175769",
"created_at": "2022-09-04T14:48:09.913207Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.914632 0.000000 0.000000\n-1.649649 -6.246423 0.000000\n-1.828622 0.303454 -7.650063\nLi Mn Co O\n9 2 5 16\ndirect\n0.124642 0.623611 0.872671 Li\n0.744320 0.259436 0.740449 Li\n0.996028 0.502689 0.497012 Li\n0.624466 0.131464 0.378155 Li\n0.871803 0.380618 0.130324 Li\n0.502408 0.997039 0.002448 Li\n0.379829 0.865773 0.616402 Li\n0.256802 0.740950 0.259958 Li\n0.500760 0.503388 0.498654 Li\n0.001239 0.996903 0.000558 Mn\n0.251922 0.253822 0.746167 Mn\n0.628794 0.623037 0.869015 Co\n0.869975 0.872307 0.622541 Co\n0.125487 0.126526 0.374595 Co\n0.743908 0.746608 0.257234 Co\n0.374188 0.376999 0.134884 Co\n0.928726 0.700426 0.053033 O\n0.552067 0.323153 0.920141 O\n0.812334 0.585966 0.686217 O\n0.400894 0.185129 0.573309 O\n0.677513 0.441858 0.296037 O\n0.304869 0.070926 0.173255 O\n0.164403 0.952343 0.817848 O\n0.050772 0.826262 0.425169 O\n0.319606 0.552245 0.704368 O\n0.946293 0.179140 0.576359 O\n0.184270 0.413126 0.311568 O\n0.841532 0.050028 0.177357 O\n0.084875 0.297088 0.934895 O\n0.696690 0.926119 0.829399 O\n0.586775 0.822611 0.440323 O\n0.451816 0.672408 0.079650 O\n",
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{
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{
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{
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"structure_string": "Li3 Mn5 Cu2 O12\n1.0\n5.173515 0.123678 -0.087899\n2.314614 4.628512 0.087899\n-0.575550 0.906906 9.694887\nLi Mn Cu O\n3 5 2 12\ndirect\n0.323465 0.860479 0.986340 Li\n0.860479 0.323465 0.513660 Li\n0.918464 0.918464 0.750000 Li\n0.075261 0.075261 0.250000 Mn\n0.410456 0.410456 0.250000 Mn\n0.582510 0.582510 0.750000 Mn\n0.503701 0.997835 0.507054 Mn\n0.997835 0.503701 0.992946 Mn\n0.264026 0.264026 0.750000 Cu\n0.749161 0.749161 0.250000 Cu\n0.167780 0.313978 0.382548 O\n0.068897 0.743208 0.138571 O\n0.313978 0.167780 0.117452 O\n0.287282 0.553460 0.856974 O\n0.255707 0.962819 0.644696 O\n0.553460 0.287282 0.643026 O\n0.431981 0.737328 0.349680 O\n0.743208 0.068897 0.361429 O\n0.737328 0.431981 0.150320 O\n0.656732 0.809450 0.882217 O\n0.962819 0.255707 0.855304 O\n0.809450 0.656732 0.617783 O\n",
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{
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"structure_string": "K2 Fe2 Mo4 O16\n1.0\n5.776932 -0.000493 -0.001021\n2.886725 5.000836 7.372267\n-2.889353 -5.002039 7.374097\nK Fe Mo O\n2 2 4 16\ndirect\n0.000042 0.000077 0.999945 K\n0.999948 0.499887 0.500008 K\n0.000208 0.750026 0.750095 Fe\n0.999976 0.250033 0.249921 Fe\n0.666731 0.202301 0.535613 Mo\n0.333242 0.297697 0.964366 Mo\n0.666757 0.702376 0.035625 Mo\n0.333286 0.797621 0.464373 Mo\n0.666697 0.821026 0.154184 O\n0.666682 0.320979 0.654288 O\n0.333209 0.179001 0.845708 O\n0.333269 0.678991 0.345786 O\n0.839213 0.751180 0.912228 O\n0.839193 0.251178 0.412177 O\n0.322040 0.751211 0.912267 O\n0.321949 0.251167 0.412207 O\n0.160925 0.507331 0.829235 O\n0.160881 0.007360 0.329185 O\n0.160771 0.248802 0.087776 O\n0.160820 0.748820 0.587792 O\n0.839099 0.492646 0.170775 O\n0.839066 0.992694 0.670843 O\n0.678026 0.248811 0.087767 O\n0.677968 0.748784 0.587838 O\n",
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"formula_full": "K2 Fe2 Mo4 O16",
"formula_reduced": "KFe(MoO4)2",
"formula_anonymous": "ABC2D8",
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"updated_at": "2021-11-28T01:38:32.248000Z",
"spacegroup": 164
},
{
"id": "mp-542469",
"created_at": "2022-09-04T14:48:10.737832Z",
"structure_string": "Gd8 Si8 O28\n1.0\n6.724393 0.000000 0.000000\n-0.178150 6.772226 0.000000\n-0.186173 -0.943325 12.241375\nGd Si O\n8 8 28\ndirect\n0.054067 0.329544 0.116090 Gd\n0.945933 0.670456 0.883910 Gd\n0.116668 0.090673 0.358032 Gd\n0.883332 0.909327 0.641968 Gd\n0.632692 0.774149 0.368694 Gd\n0.367308 0.225851 0.631306 Gd\n0.333188 0.827671 0.106011 Gd\n0.666812 0.172329 0.893989 Gd\n0.847005 0.850989 0.116456 Si\n0.152995 0.149011 0.883544 Si\n0.513153 0.332926 0.175863 Si\n0.486847 0.667074 0.824137 Si\n0.623292 0.270737 0.404724 Si\n0.376708 0.729263 0.595276 Si\n0.853262 0.372320 0.616884 Si\n0.146738 0.627680 0.383116 Si\n0.359845 0.490119 0.128438 O\n0.640155 0.509881 0.871562 O\n0.379151 0.139928 0.208305 O\n0.620849 0.860072 0.791695 O\n0.699487 0.293444 0.095065 O\n0.300513 0.706556 0.904935 O\n0.600279 0.423224 0.304698 O\n0.399721 0.576776 0.695302 O\n0.415276 0.172978 0.444911 O\n0.584724 0.827022 0.555089 O\n0.771921 0.092009 0.376744 O\n0.228079 0.907991 0.623256 O\n0.711124 0.421998 0.508674 O\n0.288876 0.578002 0.491326 O\n0.712100 0.219616 0.684503 O\n0.287900 0.780384 0.315497 O\n0.034964 0.229725 0.572916 O\n0.965036 0.770275 0.427084 O\n0.922463 0.578784 0.684738 O\n0.077537 0.421216 0.315262 O\n0.761258 0.911230 0.998905 O\n0.238742 0.088770 0.001095 O\n0.658559 0.787598 0.188409 O\n0.341441 0.212402 0.811591 O\n0.002327 0.669473 0.080916 O\n0.997673 0.330527 0.919084 O\n0.998775 0.013735 0.183345 O\n0.001225 0.986265 0.816655 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Gd-O-Si",
"density": 5.750979023174725,
"density_atomic": 0.07892924418474069,
"volume": 557.4613117669569,
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"formula_full": "Gd8 Si8 O28",
"formula_reduced": "Gd2Si2O7",
"formula_anonymous": "A2B2C7",
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"updated_at": "2021-11-28T01:38:26.639000Z",
"spacegroup": 2
},
{
"id": "mp-1210995",
"created_at": "2022-09-04T14:48:09.926573Z",
"structure_string": "Li8 Zn4 H8 Cl16\n1.0\n6.263960 0.000000 0.000000\n0.000000 10.250370 0.000000\n0.000000 0.000000 11.442196\nLi Zn H Cl\n8 4 8 16\ndirect\n0.234111 0.232053 0.290781 Li\n0.265889 0.767947 0.790781 Li\n0.765889 0.732053 0.209219 Li\n0.734111 0.267947 0.709219 Li\n0.215415 0.126277 0.777884 Li\n0.284585 0.873723 0.277884 Li\n0.784585 0.626277 0.722116 Li\n0.715415 0.373723 0.222116 Li\n0.240680 0.532634 0.052619 Zn\n0.259319 0.467366 0.552619 Zn\n0.759320 0.032634 0.447381 Zn\n0.740680 0.967366 0.947381 Zn\n0.521303 0.202213 0.152079 H\n0.978697 0.797787 0.652079 H\n0.478697 0.702213 0.347921 H\n0.021303 0.297787 0.847921 H\n0.133137 0.031849 0.162069 H\n0.366863 0.968151 0.662069 H\n0.866863 0.531849 0.337931 H\n0.633137 0.468151 0.837931 H\n0.094116 0.336007 0.101173 Cl\n0.405884 0.663993 0.601173 Cl\n0.905884 0.836007 0.398827 Cl\n0.594116 0.163993 0.898827 Cl\n0.125699 0.709863 0.159210 Cl\n0.374301 0.290137 0.659210 Cl\n0.874301 0.209863 0.340790 Cl\n0.625699 0.790137 0.840790 Cl\n0.394956 0.038791 0.410904 Cl\n0.105044 0.961209 0.910904 Cl\n0.605044 0.538791 0.089096 Cl\n0.894956 0.461209 0.589096 Cl\n0.378192 0.427526 0.364394 Cl\n0.121808 0.572474 0.864394 Cl\n0.621808 0.927526 0.135606 Cl\n0.878192 0.072474 0.635606 Cl\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"H",
"Cl"
],
"chemical_system": "Cl-H-Li-Zn",
"density": 2.0171932646119557,
"density_atomic": 0.04900096130562163,
"volume": 734.6794642551207,
"volume_molar": 12.289842075627016,
"formula_full": "Li8 Zn4 H8 Cl16",
"formula_reduced": "Li2Zn(HCl2)2",
"formula_anonymous": "AB2C2D4",
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"updated_at": "2021-11-28T01:38:31.385000Z",
"spacegroup": 19
}
]
}