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{
"id": "mp-1977567",
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{
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"structure_string": "Ba4 Ca4 Sm4 Sb4 O24\n1.0\n8.449877 0.000000 0.000000\n0.000000 8.446045 0.000000\n0.000000 0.000000 8.471958\nBa Ca Sm Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.500000 -0.000000 Ca\n0.251746 0.254708 0.250981 Sm\n0.748254 0.745292 0.250981 Sm\n0.748254 0.254708 0.749019 Sm\n0.251746 0.745292 0.749019 Sm\n0.750866 0.743448 0.748381 Sb\n0.249134 0.256552 0.748381 Sb\n0.249134 0.743448 0.251619 Sb\n0.750866 0.256552 0.251619 Sb\n0.985117 0.227031 0.281512 O\n0.014883 0.772969 0.281512 O\n0.014883 0.227031 0.718488 O\n0.985117 0.772969 0.718488 O\n0.272654 0.980450 0.218423 O\n0.272654 0.019550 0.781577 O\n0.727346 0.019550 0.218423 O\n0.727346 0.980450 0.781577 O\n0.208635 0.297593 0.982397 O\n0.791365 0.297593 0.017603 O\n0.208635 0.702407 0.017603 O\n0.791365 0.702407 0.982397 O\n0.519259 0.299419 0.204514 O\n0.480741 0.700581 0.204514 O\n0.480741 0.299419 0.795486 O\n0.519259 0.700581 0.795486 O\n0.211412 0.514957 0.306645 O\n0.211412 0.485043 0.693355 O\n0.788588 0.485043 0.306645 O\n0.788588 0.514957 0.693355 O\n0.302499 0.211580 0.517883 O\n0.697501 0.211580 0.482117 O\n0.302499 0.788420 0.482117 O\n0.697501 0.788420 0.517883 O\n",
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"formula_full": "Ba4 Ca4 Sm4 Sb4 O24",
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"spacegroup": 16
},
{
"id": "mp-755094",
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"structure_string": "Li8 Fe4 O8\n1.0\n0.810575 -1.569383 2.379003\n-8.616594 -4.450413 -0.000013\n2.750576 -5.325506 -4.450150\nLi Fe O\n8 4 8\ndirect\n0.500000 0.212892 0.499994 Li\n0.000000 0.712897 0.249997 Li\n0.500000 0.212897 0.000002 Li\n0.999999 0.712893 0.750005 Li\n0.999999 0.287108 0.750004 Li\n0.500000 0.787109 0.499994 Li\n0.999999 0.287104 0.249996 Li\n0.499999 0.787104 0.000002 Li\n0.999987 0.000001 0.250006 Fe\n0.499979 0.499996 0.000000 Fe\n0.500004 0.499997 0.500011 Fe\n0.000035 0.999998 0.750001 Fe\n0.000000 0.645076 0.499985 O\n0.499999 0.145079 0.250006 O\n0.000001 0.645078 0.999990 O\n0.499999 0.145078 0.750015 O\n0.500001 0.854923 0.750018 O\n0.999999 0.354925 0.499983 O\n0.499998 0.854920 0.250008 O\n0.000002 0.354923 0.999986 O\n",
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"formula_full": "Li8 Fe4 O8",
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},
{
"id": "mp-1203837",
"created_at": "2022-09-04T14:39:31.344230Z",
"structure_string": "Ni1 Ag4 P6 O24\n1.0\n6.617246 0.000000 0.000000\n-0.282261 8.139537 0.000000\n-2.015543 -1.047037 9.167124\nNi Ag P O\n1 4 6 24\ndirect\n0.000000 0.000000 0.000000 Ni\n0.615913 0.282545 0.424555 Ag\n0.384087 0.717455 0.575446 Ag\n0.192615 0.434133 0.162219 Ag\n0.807385 0.565867 0.837781 Ag\n0.856104 0.721387 0.506473 P\n0.143896 0.278613 0.493527 P\n0.460079 0.143447 0.701780 P\n0.539921 0.856553 0.298220 P\n0.726391 0.558860 0.207609 P\n0.273609 0.441140 0.792391 P\n0.294024 0.364539 0.417303 O\n0.705976 0.635461 0.582697 O\n0.931424 0.231338 0.404157 O\n0.068576 0.768662 0.595843 O\n0.744113 0.873563 0.435665 O\n0.255887 0.126437 0.564335 O\n0.885311 0.601791 0.364577 O\n0.114689 0.398209 0.635423 O\n0.512895 0.021812 0.248155 O\n0.487105 0.978188 0.751845 O\n0.365944 0.760257 0.342805 O\n0.634056 0.239743 0.657195 O\n0.623745 0.731785 0.177578 O\n0.376255 0.268215 0.822422 O\n0.856708 0.518000 0.097577 O\n0.143292 0.482000 0.902423 O\n0.562488 0.431535 0.224618 O\n0.437512 0.568465 0.775382 O\n0.179164 0.167533 0.109768 O\n0.820836 0.832467 0.890232 O\n0.194928 0.869055 0.953589 O\n0.805072 0.130945 0.046411 O\n0.010487 0.991524 0.193703 O\n0.989513 0.008476 0.806297 O\n",
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"formula_full": "Ni1 Ag4 P6 O24",
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{
"id": "mp-14385",
"created_at": "2022-09-04T14:39:31.343254Z",
"structure_string": "Ba18 Tm6 B18 O54\n1.0\n4.735034 -8.201320 0.000000\n4.735034 8.201320 0.000000\n0.000000 0.000000 17.949146\nBa Tm B O\n18 6 18 54\ndirect\n0.682286 0.682286 0.868712 Ba\n0.000000 0.682286 0.368712 Ba\n0.682286 0.000000 0.368712 Ba\n0.317714 0.000000 0.868712 Ba\n0.000000 0.317714 0.868712 Ba\n0.317714 0.317714 0.368712 Ba\n0.651912 0.651912 0.628257 Ba\n0.000000 0.651912 0.128257 Ba\n0.651912 0.000000 0.128257 Ba\n0.348088 0.000000 0.628257 Ba\n0.000000 0.348088 0.628257 Ba\n0.348088 0.348088 0.128257 Ba\n0.333333 0.666667 0.275591 Ba\n0.666667 0.333333 0.775591 Ba\n0.333333 0.666667 0.775591 Ba\n0.666667 0.333333 0.275591 Ba\n0.000000 0.000000 0.715168 Ba\n0.000000 0.000000 0.215168 Ba\n0.333333 0.666667 0.995443 Tm\n0.666667 0.333333 0.495443 Tm\n0.333333 0.666667 0.495443 Tm\n0.666667 0.333333 0.995443 Tm\n0.000000 0.000000 0.501441 Tm\n0.000000 0.000000 0.001441 Tm\n0.660200 0.660200 0.420904 B\n0.000000 0.660200 0.920904 B\n0.660200 0.000000 0.920904 B\n0.339800 0.000000 0.420904 B\n0.000000 0.339800 0.420904 B\n0.339800 0.339800 0.920904 B\n0.667406 0.667406 0.247547 B\n0.000000 0.667406 0.747547 B\n0.667406 0.000000 0.747547 B\n0.332594 0.000000 0.247547 B\n0.000000 0.332594 0.247547 B\n0.332594 0.332594 0.747547 B\n0.673357 0.673357 0.071005 B\n0.000000 0.673357 0.571005 B\n0.673357 0.000000 0.571005 B\n0.326643 0.000000 0.071005 B\n0.000000 0.326643 0.071005 B\n0.326643 0.326643 0.571005 B\n0.806652 0.806652 0.430414 O\n0.000000 0.806652 0.930414 O\n0.806652 0.000000 0.930414 O\n0.193348 0.000000 0.430414 O\n0.000000 0.193348 0.430414 O\n0.193348 0.193348 0.930414 O\n0.661268 0.147273 0.915744 O\n0.852727 0.513995 0.915744 O\n0.486005 0.338732 0.915744 O\n0.513995 0.661268 0.415744 O\n0.338732 0.852727 0.415744 O\n0.147273 0.486005 0.415744 O\n0.661268 0.513995 0.415744 O\n0.147273 0.661268 0.915744 O\n0.513995 0.852727 0.915744 O\n0.486005 0.147273 0.415744 O\n0.852727 0.338732 0.415744 O\n0.338732 0.486005 0.915744 O\n0.520084 0.520084 0.247382 O\n0.000000 0.520084 0.747382 O\n0.520084 0.000000 0.747382 O\n0.479916 0.000000 0.247382 O\n0.000000 0.479916 0.247382 O\n0.479916 0.479916 0.747382 O\n0.814607 0.147326 0.747978 O\n0.852674 0.667281 0.747978 O\n0.332719 0.185393 0.747978 O\n0.667281 0.814607 0.247978 O\n0.185393 0.852674 0.247978 O\n0.147326 0.332719 0.247978 O\n0.814607 0.667281 0.247978 O\n0.147326 0.814607 0.747978 O\n0.667281 0.852674 0.747978 O\n0.332719 0.147326 0.247978 O\n0.852674 0.185393 0.247978 O\n0.185393 0.332719 0.747978 O\n0.673529 0.146699 0.566424 O\n0.853301 0.526830 0.566424 O\n0.473170 0.326471 0.566424 O\n0.526830 0.673529 0.066424 O\n0.326471 0.853301 0.066424 O\n0.146699 0.473170 0.066424 O\n0.673529 0.526830 0.066424 O\n0.146699 0.673529 0.566424 O\n0.526830 0.853301 0.566424 O\n0.473170 0.146699 0.066424 O\n0.853301 0.326471 0.066424 O\n0.326471 0.473170 0.566424 O\n0.819113 0.819113 0.080594 O\n0.000000 0.819113 0.580594 O\n0.819113 0.000000 0.580594 O\n0.180887 0.000000 0.080594 O\n0.000000 0.180887 0.080594 O\n0.180887 0.180887 0.580594 O\n",
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{
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"structure_string": "Nb3 Al1 Cr8\n1.0\n8.087269 -2.440590 0.000000\n8.087269 2.440590 0.000000\n7.350743 0.000000 4.162568\nNb Al Cr\n3 1 8\ndirect\n0.624946 0.624946 0.624946 Nb\n0.001489 0.001489 0.001489 Nb\n0.498861 0.498861 0.498861 Nb\n0.124961 0.124961 0.124961 Al\n0.562774 0.063606 0.562774 Cr\n0.062674 0.560215 0.062674 Cr\n0.063606 0.562774 0.562774 Cr\n0.560215 0.062674 0.062674 Cr\n0.812490 0.812490 0.812490 Cr\n0.312537 0.312537 0.312537 Cr\n0.562774 0.562774 0.063606 Cr\n0.062674 0.062674 0.560215 Cr\n",
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{
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"structure_string": "K8 In12 Ag4 Se24\n1.0\n5.944076 5.957742 0.000000\n-5.944076 5.957742 0.000000\n0.000000 3.043280 21.595468\nK In Ag Se\n8 12 4 24\ndirect\n0.104755 0.207408 0.082806 K\n0.792592 0.895245 0.417194 K\n0.895245 0.792592 0.917194 K\n0.207408 0.104755 0.582806 K\n0.607265 0.250352 0.082734 K\n0.749648 0.392735 0.417266 K\n0.392735 0.749648 0.917266 K\n0.250352 0.607265 0.582734 K\n0.722555 0.849198 0.612382 In\n0.150802 0.277445 0.887618 In\n0.277445 0.150802 0.387618 In\n0.849198 0.722555 0.112382 In\n0.720271 0.349883 0.611894 In\n0.650117 0.279729 0.888106 In\n0.279729 0.650117 0.388106 In\n0.349883 0.720271 0.111894 In\n0.933044 0.559925 0.750006 In\n0.440075 0.066956 0.749994 In\n0.066956 0.440075 0.249994 In\n0.559925 0.933044 0.250006 In\n0.437408 0.562592 0.750000 Ag\n0.562592 0.437408 0.250000 Ag\n0.935240 0.064760 0.750000 Ag\n0.064760 0.935240 0.250000 Ag\n0.695388 0.618293 0.540123 Se\n0.381707 0.304612 0.959877 Se\n0.304612 0.381707 0.459877 Se\n0.618293 0.695388 0.040123 Se\n0.784092 0.117797 0.540350 Se\n0.882203 0.215908 0.959650 Se\n0.215908 0.882203 0.459650 Se\n0.117797 0.784092 0.040350 Se\n0.825322 0.973197 0.175363 Se\n0.026803 0.174678 0.324637 Se\n0.174678 0.026803 0.824637 Se\n0.973197 0.825322 0.675363 Se\n0.560582 0.159993 0.324802 Se\n0.840007 0.439418 0.175198 Se\n0.439418 0.840007 0.675198 Se\n0.159993 0.560582 0.824802 Se\n0.337060 0.972072 0.174569 Se\n0.027928 0.662940 0.325431 Se\n0.662940 0.027928 0.825431 Se\n0.972072 0.337060 0.674569 Se\n0.563042 0.671298 0.325218 Se\n0.328702 0.436958 0.174782 Se\n0.436958 0.328702 0.674782 Se\n0.671298 0.563042 0.825218 Se\n",
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{
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