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{
"id": "mp-1246827",
"created_at": "2022-09-04T14:42:20.724787Z",
"structure_string": "Sr14 Te2 N12\n1.0\n0.000000 -6.913270 0.000000\n-6.334439 -3.456635 -6.750858\n6.334439 -3.456635 -6.750858\nSr Te N\n14 2 12\ndirect\n0.283626 0.949827 0.050173 Sr\n0.716374 0.050173 0.949827 Sr\n0.216374 0.449827 0.550173 Sr\n0.783626 0.550173 0.449827 Sr\n0.764692 0.153817 0.586449 Sr\n0.495041 0.586449 0.153817 Sr\n0.735308 0.913551 0.346183 Sr\n0.004959 0.346183 0.913551 Sr\n0.235308 0.846183 0.413551 Sr\n0.504959 0.413551 0.846183 Sr\n0.264692 0.086449 0.653817 Sr\n0.995041 0.653817 0.086449 Sr\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.750000 0.250000 0.250000 Te\n0.250000 0.750000 0.750000 Te\n0.017657 0.070212 0.301685 N\n0.610446 0.301685 0.070212 N\n0.482343 0.198315 0.429788 N\n0.889554 0.429788 0.198315 N\n0.982343 0.929788 0.698315 N\n0.389554 0.698315 0.929788 N\n0.517657 0.801685 0.570212 N\n0.110446 0.570212 0.801685 N\n0.885539 0.351890 0.648110 N\n0.114461 0.648110 0.351890 N\n0.614461 0.851890 0.148110 N\n0.385539 0.148110 0.851890 N\n",
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{
"id": "mp-1041794",
"created_at": "2022-09-04T14:42:20.652716Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n6.151294 0.000000 0.000000\n0.000000 6.988357 0.000000\n0.000000 0.000000 11.199085\nMg Sn O\n4 8 16\ndirect\n0.500000 0.427689 0.000000 Mg\n0.000000 0.572311 0.500000 Mg\n0.500000 0.742773 0.500000 Mg\n0.000000 0.257227 0.000000 Mg\n0.000000 0.902486 0.297696 Sn\n0.000000 0.902486 0.702304 Sn\n0.500000 0.097514 0.202304 Sn\n0.500000 0.097514 0.797696 Sn\n0.250000 0.500000 0.250000 Sn\n0.750000 0.500000 0.750000 Sn\n0.750000 0.500000 0.250000 Sn\n0.250000 0.500000 0.750000 Sn\n0.000000 0.388584 0.353357 O\n0.000000 0.388584 0.646643 O\n0.500000 0.611416 0.146643 O\n0.500000 0.611416 0.853357 O\n0.000000 0.665433 0.170638 O\n0.000000 0.665433 0.829362 O\n0.500000 0.334567 0.329362 O\n0.500000 0.334567 0.670638 O\n0.253866 0.278330 0.118571 O\n0.746134 0.278330 0.881429 O\n0.753866 0.721670 0.381429 O\n0.246134 0.721670 0.618571 O\n0.246134 0.721670 0.381429 O\n0.753866 0.721670 0.618571 O\n0.746134 0.278330 0.118571 O\n0.253866 0.278330 0.881429 O\n",
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"elements": [
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"density": 4.493997984607232,
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"formula_full": "Mg4 Sn8 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 59
},
{
"id": "mp-753935",
"created_at": "2022-09-04T14:42:20.655300Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n3.083199 -3.015911 -4.276402\n3.013966 2.897544 4.217274\n2.892043 -3.199629 4.276367\nLi Ni Sn O\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.999999 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.247573 0.012542 0.743565 O\n0.208867 0.451915 0.302907 O\n0.243564 0.487458 0.747574 O\n0.197094 0.951914 0.291134 O\n0.802906 0.048086 0.708866 O\n0.756436 0.512542 0.252426 O\n0.791133 0.548085 0.697093 O\n0.752427 0.987458 0.256435 O\n",
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"formula_full": "Li2 Ni2 Sn2 O8",
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"spacegroup": 74
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{
"id": "mp-1246169",
"created_at": "2022-09-04T14:42:20.658108Z",
"structure_string": "Ca6 Ni4 N8\n1.0\n6.692710 -0.061185 -0.042810\n-5.143152 6.572327 0.000000\n-0.123290 -0.096480 5.414124\nCa Ni N\n6 4 8\ndirect\n0.244878 0.989302 0.049029 Ca\n0.755122 0.744425 0.450971 Ca\n0.755122 0.010698 0.950971 Ca\n0.244878 0.255575 0.549029 Ca\n0.000000 0.596070 0.750000 Ca\n0.000000 0.403930 0.250000 Ca\n0.587376 0.164862 0.587627 Ni\n0.412624 0.577486 0.912373 Ni\n0.412624 0.835138 0.412373 Ni\n0.587376 0.422514 0.087627 Ni\n0.232738 0.941534 0.520626 N\n0.767262 0.708796 0.979374 N\n0.767262 0.058466 0.479374 N\n0.232738 0.291204 0.020626 N\n0.672259 0.265550 0.919083 N\n0.327741 0.593291 0.580917 N\n0.327741 0.734450 0.080917 N\n0.672259 0.406709 0.419083 N\n",
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"elements": [
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"density": 4.125504506719344,
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"volume": 236.3896637704011,
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"formula_full": "Ca6 Ni4 N8",
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"formula_anonymous": "A2B3C4",
"energy": -111.10889072999998,
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"updated_at": "2021-11-28T01:35:46.291000Z",
"spacegroup": 15
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{
"id": "mp-758664",
"created_at": "2022-09-04T14:42:20.667311Z",
"structure_string": "Fe18 O18 F18\n1.0\n14.130471 -0.023095 0.000000\n-0.023572 14.234787 0.000000\n0.000000 0.000000 3.105292\nFe O F\n18 18 18\ndirect\n0.017043 0.990686 0.000000 Fe\n0.005525 0.323565 0.000000 Fe\n0.001146 0.675810 0.000000 Fe\n0.153418 0.161999 0.500000 Fe\n0.175848 0.511513 0.500000 Fe\n0.164668 0.823698 0.500000 Fe\n0.348581 0.997302 0.000000 Fe\n0.344405 0.336334 0.000000 Fe\n0.329554 0.671623 0.000000 Fe\n0.480824 0.507031 0.500000 Fe\n0.504318 0.146631 0.500000 Fe\n0.507575 0.851076 0.500000 Fe\n0.665859 0.999597 0.000000 Fe\n0.678960 0.330026 0.000000 Fe\n0.680208 0.666199 0.000000 Fe\n0.814061 0.155792 0.500000 Fe\n0.817341 0.498699 0.500000 Fe\n0.812866 0.839052 0.500000 Fe\n0.067407 0.271869 0.500000 O\n0.068465 0.929139 0.500000 O\n0.101747 0.102430 0.000000 O\n0.101410 0.764674 0.000000 O\n0.228958 0.563309 0.000000 O\n0.267101 0.733892 0.500000 O\n0.396083 0.605729 0.500000 O\n0.396989 0.934223 0.500000 O\n0.435413 0.102348 0.000000 O\n0.430011 0.435097 0.000000 O\n0.568345 0.900064 0.000000 O\n0.604593 0.063464 0.500000 O\n0.730987 0.267411 0.500000 O\n0.733391 0.602446 0.500000 O\n0.729720 0.938285 0.500000 O\n0.767394 0.097885 0.000000 O\n0.770668 0.435101 0.000000 O\n0.765731 0.771392 0.000000 O\n0.059691 0.596736 0.500000 F\n0.099371 0.437280 0.000000 F\n0.237403 0.233639 0.000000 F\n0.232235 0.901682 0.000000 F\n0.267158 0.068240 0.500000 F\n0.262369 0.392156 0.500000 F\n0.400368 0.266141 0.500000 F\n0.440688 0.771929 0.000000 F\n0.563663 0.235313 0.000000 F\n0.564311 0.566441 0.000000 F\n0.600430 0.400725 0.500000 F\n0.599668 0.729057 0.500000 F\n0.899144 0.231382 0.000000 F\n0.902724 0.567321 0.000000 F\n0.899143 0.899819 0.000000 F\n0.936410 0.062682 0.500000 F\n0.937811 0.399806 0.500000 F\n0.930801 0.734258 0.500000 F\n",
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"formula_full": "Fe18 O18 F18",
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{
"id": "mp-1217191",
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"structure_string": "Ti6 Si6 Mo4\n1.0\n-0.000071 -0.000124 -5.052891\n-3.720855 -6.444710 -0.000207\n-3.634055 6.394596 0.000103\nTi Si Mo\n6 6 4\ndirect\n0.250036 0.232971 0.233268 Ti\n0.250036 0.999703 0.766732 Ti\n0.499689 0.334642 0.666463 Ti\n0.499689 0.668178 0.333537 Ti\n0.000307 0.668211 0.333550 Ti\n0.000307 0.334661 0.666450 Ti\n0.749948 0.614300 0.000000 Si\n0.750004 0.388774 0.387405 Si\n0.750004 0.001369 0.612595 Si\n0.249977 0.396667 0.000000 Si\n0.250023 0.603164 0.603701 Si\n0.250023 0.999463 0.396299 Si\n0.749960 0.267537 0.000000 Mo\n0.750043 0.740609 0.738183 Mo\n0.750043 0.002426 0.261817 Mo\n0.249909 0.747327 0.000000 Mo\n",
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"formula_full": "Ti6 Si6 Mo4",
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{
"id": "mp-1079429",
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"structure_string": "Ho2 Ag2 Se4\n1.0\n-2.831566 2.831566 6.284803\n2.831566 -2.831566 6.284803\n2.831566 2.831566 -6.284803\nHo Ag Se\n2 2 4\ndirect\n0.751032 0.251032 0.500000 Ho\n0.001032 0.001032 0.000000 Ho\n0.291134 0.791134 0.500000 Ag\n0.541134 0.541134 0.000000 Ag\n0.977682 0.477682 0.500000 Se\n0.227682 0.227682 0.000000 Se\n0.520151 0.020151 0.500000 Se\n0.770151 0.770151 0.000000 Se\n",
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{
"id": "mp-761036",
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"structure_string": "Cd2 Se2 O8\n1.0\n2.864228 -4.359744 0.000000\n2.864228 4.359744 0.000000\n0.000000 0.000000 7.308072\nCd Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.644927 0.355073 0.250000 Se\n0.355073 0.644927 0.750000 Se\n0.289832 0.231306 0.250000 O\n0.231306 0.289832 0.750000 O\n0.743996 0.256004 0.056121 O\n0.743996 0.256004 0.443879 O\n0.256004 0.743996 0.556121 O\n0.256004 0.743996 0.943879 O\n0.768694 0.710168 0.250000 O\n0.710168 0.768694 0.750000 O\n",
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"formula_full": "Cd2 Se2 O8",
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{
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"structure_string": "Y2 Mg12 Mn2\n1.0\n5.098915 0.000000 0.000000\n0.000000 6.435922 0.000000\n0.000000 0.000000 11.282449\nY Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.166863 Y\n0.500000 0.000000 0.666863 Y\n0.500000 0.254680 0.418333 Mg\n0.500000 0.745320 0.418333 Mg\n0.000000 0.763008 0.085214 Mg\n0.000000 0.236992 0.085214 Mg\n0.000000 0.000000 0.326859 Mg\n0.000000 0.500000 0.336037 Mg\n0.500000 0.754680 0.918333 Mg\n0.500000 0.245320 0.918333 Mg\n0.000000 0.263008 0.585214 Mg\n0.000000 0.736992 0.585214 Mg\n0.000000 0.500000 0.826859 Mg\n0.000000 0.000000 0.836037 Mg\n0.500000 0.000000 0.163143 Mn\n0.500000 0.500000 0.663143 Mn\n",
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{
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