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{
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"results": [
{
"id": "mp-555522",
"created_at": "2022-09-04T14:41:24.908423Z",
"structure_string": "Eu2 P2 H10 C2 O14\n1.0\n6.704612 0.000000 0.000000\n-0.020381 7.085748 0.000000\n-0.869616 -2.882772 7.328713\nEu P H C O\n2 2 10 2 14\ndirect\n0.869019 0.777944 0.063444 Eu\n0.130981 0.222056 0.936556 Eu\n0.674882 0.250364 0.018127 P\n0.325118 0.749636 0.981873 P\n0.488299 0.884493 0.590181 H\n0.165464 0.521311 0.326916 H\n0.718904 0.668441 0.642748 H\n0.519404 0.740892 0.393744 H\n0.511701 0.115507 0.409819 H\n0.834536 0.478689 0.673084 H\n0.480596 0.259108 0.606256 H\n0.628391 0.287450 0.196273 H\n0.371609 0.712550 0.803727 H\n0.281096 0.331559 0.357252 H\n0.939989 0.093279 0.498257 C\n0.060011 0.906721 0.501743 C\n0.522976 0.776019 0.106193 O\n0.053642 0.756824 0.352785 O\n0.800440 0.057823 0.960379 O\n0.413425 0.200895 0.481382 O\n0.845990 0.078198 0.346997 O\n0.946358 0.243176 0.647215 O\n0.817093 0.425668 0.026198 O\n0.199560 0.942177 0.039621 O\n0.586575 0.799105 0.518618 O\n0.182907 0.574332 0.973802 O\n0.477024 0.223981 0.893807 O\n0.216578 0.385169 0.266011 O\n0.783422 0.614831 0.733989 O\n0.154010 0.921802 0.653003 O\n",
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"spacegroup": 2
},
{
"id": "mp-1224423",
"created_at": "2022-09-04T14:41:24.914338Z",
"structure_string": "Na12 Cr4 C24 O68\n1.0\n6.542370 8.514438 0.000000\n-6.542370 8.514438 0.000000\n0.000000 3.024126 13.857616\nNa Cr C O\n12 4 24 68\ndirect\n0.755655 0.022985 0.961870 Na\n0.022985 0.755655 0.461870 Na\n0.352288 0.347394 0.715728 Na\n0.347394 0.352288 0.215728 Na\n0.933670 0.663997 0.966242 Na\n0.663997 0.933670 0.466242 Na\n0.587572 0.381016 0.938987 Na\n0.381016 0.587572 0.438987 Na\n0.078388 0.621183 0.716384 Na\n0.621183 0.078388 0.216384 Na\n0.115756 0.289969 0.994568 Na\n0.289969 0.115756 0.494568 Na\n0.907795 0.175225 0.723308 Cr\n0.175225 0.907795 0.223308 Cr\n0.524372 0.792723 0.706548 Cr\n0.792723 0.524372 0.206548 Cr\n0.389933 0.055522 0.681119 C\n0.055522 0.389933 0.181119 C\n0.961119 0.904589 0.781412 C\n0.904589 0.961119 0.281412 C\n0.076174 0.301549 0.777171 C\n0.301549 0.076174 0.277171 C\n0.337219 0.648077 0.758207 C\n0.648077 0.337219 0.258207 C\n0.662567 0.239368 0.657818 C\n0.239368 0.662567 0.157818 C\n0.399456 0.623418 0.652297 C\n0.623418 0.399456 0.152297 C\n0.644349 0.310276 0.749169 C\n0.310276 0.644349 0.249169 C\n0.460462 0.036129 0.772878 C\n0.036129 0.460462 0.272878 C\n0.052405 0.363216 0.671081 C\n0.363216 0.052405 0.171081 C\n0.795383 0.742701 0.651461 C\n0.742701 0.795383 0.151461 C\n0.771344 0.645188 0.744344 C\n0.645188 0.771344 0.244344 C\n0.055182 0.927777 0.686383 C\n0.927777 0.055182 0.186383 C\n0.547699 0.155630 0.953685 O\n0.155630 0.547699 0.453685 O\n0.415308 0.952908 0.637863 O\n0.952908 0.415308 0.137863 O\n0.022758 0.205798 0.810262 O\n0.205798 0.022758 0.310262 O\n0.651830 0.646573 0.774349 O\n0.646573 0.651830 0.274349 O\n0.185967 0.940093 0.939215 O\n0.940093 0.185967 0.439215 O\n0.567740 0.254898 0.614015 O\n0.254898 0.567740 0.114015 O\n0.747692 0.285862 0.791498 O\n0.285862 0.747692 0.291498 O\n0.319183 0.161713 0.652886 O\n0.161713 0.319183 0.152886 O\n0.052051 0.047216 0.654476 O\n0.047216 0.052051 0.154476 O\n0.845895 0.222911 0.990450 O\n0.222911 0.845895 0.490450 O\n0.150147 0.539028 0.976036 O\n0.539028 0.150147 0.476036 O\n0.964128 0.793096 0.823153 O\n0.793096 0.964128 0.323153 O\n0.115865 0.442986 0.628388 O\n0.442986 0.115865 0.128388 O\n0.493637 0.679019 0.618917 O\n0.679019 0.493637 0.118917 O\n0.075069 0.915215 0.974342 O\n0.915215 0.075069 0.474342 O\n0.141379 0.346432 0.821989 O\n0.346432 0.141379 0.321989 O\n0.690459 0.818396 0.622225 O\n0.818396 0.690459 0.122225 O\n0.868628 0.574980 0.780180 O\n0.574980 0.868628 0.280180 O\n0.846075 0.477467 0.939200 O\n0.477467 0.846075 0.439200 O\n0.356182 0.556019 0.608439 O\n0.556019 0.356182 0.108439 O\n0.760425 0.554304 0.484043 O\n0.554304 0.760425 0.984043 O\n0.884716 0.009874 0.809974 O\n0.009874 0.884716 0.309974 O\n0.257516 0.584568 0.800571 O\n0.584568 0.257516 0.300571 O\n0.907555 0.741775 0.611827 O\n0.741775 0.907555 0.111827 O\n0.537869 0.379648 0.778406 O\n0.379648 0.537869 0.278406 O\n0.375785 0.734444 0.790769 O\n0.734444 0.375785 0.290769 O\n0.124775 0.830284 0.650567 O\n0.830284 0.124775 0.150567 O\n0.445860 0.131343 0.816372 O\n0.131343 0.445860 0.316372 O\n0.966432 0.324039 0.638407 O\n0.324039 0.966432 0.138407 O\n0.668502 0.784381 0.955220 O\n0.784381 0.668502 0.455220 O\n0.530805 0.920735 0.792516 O\n0.920735 0.530805 0.292516 O\n0.777596 0.167115 0.639432 O\n0.167115 0.777596 0.139432 O\n0.213668 0.039446 0.963322 O\n0.039446 0.213668 0.463322 O\n0.541205 0.647213 0.977532 O\n0.647213 0.541205 0.477532 O\n",
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"density": 2.000647427713849,
"density_atomic": 0.06995425696009046,
"volume": 1543.8660160684,
"volume_molar": 8.608683762355858,
"formula_full": "Na12 Cr4 C24 O68",
"formula_reduced": "Na3CrC6O17",
"formula_anonymous": "AB3C6D17",
"energy": -698.13041872,
"energy_per_atom": -6.464170543703704,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:19.450000Z",
"spacegroup": 9
},
{
"id": "mp-1112376",
"created_at": "2022-09-04T14:41:24.926090Z",
"structure_string": "Cs3 As1 Br6\n1.0\n0.000000 6.074751 6.074751\n6.074751 0.000000 6.074751\n6.074751 6.074751 0.000000\nCs As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 As\n0.780159 0.219841 0.219841 Br\n0.219841 0.219841 0.780159 Br\n0.219841 0.780159 0.780159 Br\n0.219841 0.780159 0.219841 Br\n0.780159 0.219841 0.780159 Br\n0.780159 0.780159 0.219841 Br\n",
"nsites": 10,
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"elements": [
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"As",
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],
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"density": 3.529838144861019,
"density_atomic": 0.022304092665312077,
"volume": 448.34820900615557,
"volume_molar": 27.000160241289684,
"formula_full": "Cs3 As1 Br6",
"formula_reduced": "Cs3AsBr6",
"formula_anonymous": "AB3C6",
"energy": -32.80708456,
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"updated_at": "2021-11-28T01:35:22.598000Z",
"spacegroup": 225
},
{
"id": "mp-1206031",
"created_at": "2022-09-04T14:41:24.977935Z",
"structure_string": "Dy2 Co1 Ge6\n1.0\n4.065753 0.000000 0.000000\n0.000000 4.002994 0.000000\n0.000000 -2.001498 10.702364\nDy Co Ge\n2 1 6\ndirect\n0.500000 0.222144 0.444287 Dy\n0.500000 0.886540 0.773079 Dy\n0.000000 0.445218 0.890435 Co\n0.500000 0.499886 0.999772 Ge\n0.500000 0.617118 0.234236 Ge\n0.000000 0.000973 0.001947 Ge\n0.000000 0.118823 0.237646 Ge\n0.000000 0.338844 0.677689 Ge\n0.000000 0.763454 0.526909 Ge\n",
"nsites": 9,
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"elements": [
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],
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"density": 7.815147210627638,
"density_atomic": 0.05166980962448615,
"volume": 174.18295258697702,
"volume_molar": 11.655047316346465,
"formula_full": "Dy2 Co1 Ge6",
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"formula_anonymous": "AB2C6",
"energy": -48.33404102,
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"updated_at": "2021-11-28T01:35:21.716000Z",
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},
{
"id": "mp-1207619",
"created_at": "2022-09-04T14:41:24.910070Z",
"structure_string": "Yb4 Mg2 Ti2 O12\n1.0\n5.651579 0.000000 0.000000\n0.000000 5.354306 0.000000\n0.000000 5.165280 7.622735\nYb Mg Ti O\n4 2 2 12\ndirect\n0.064942 0.723334 0.755158 Yb\n0.935058 0.276666 0.244842 Yb\n0.564942 0.276666 0.744842 Yb\n0.435058 0.723334 0.255158 Yb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.466823 0.856612 0.745046 O\n0.533177 0.143388 0.254954 O\n0.966823 0.143388 0.754954 O\n0.033177 0.856612 0.245046 O\n0.783254 0.749852 0.556532 O\n0.216746 0.250148 0.443468 O\n0.283254 0.250148 0.943468 O\n0.716746 0.749852 0.056532 O\n0.301550 0.660300 0.547170 O\n0.698450 0.339700 0.452830 O\n0.801550 0.339700 0.952830 O\n0.198450 0.660300 0.047170 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Yb4 Mg2 Ti2 O12",
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{
"id": "mp-752828",
"created_at": "2022-09-04T14:41:24.943585Z",
"structure_string": "Li8 Si8 Ni4 O24\n1.0\n0.000149 3.586669 3.610042\n-9.896369 3.586278 -0.001675\n0.000874 -7.172258 7.221245\nLi Si Ni O\n8 8 4 24\ndirect\n0.538980 0.837362 0.451900 Li\n0.538432 0.836632 0.952087 Li\n0.125046 0.665132 0.408962 Li\n0.124165 0.664572 0.908958 Li\n0.818035 0.336540 0.062584 Li\n0.817457 0.337424 0.561976 Li\n0.904199 0.164937 0.269404 Li\n0.904191 0.164555 0.769297 Li\n0.174806 0.835637 0.196654 Si\n0.175817 0.835884 0.696935 Si\n0.759910 0.665303 0.153981 Si\n0.760602 0.666360 0.654587 Si\n0.308343 0.336214 0.380206 Si\n0.308717 0.335616 0.880736 Si\n0.393822 0.165677 0.088106 Si\n0.393356 0.166461 0.587809 Si\n0.727412 0.500102 0.863613 Ni\n0.977528 0.000902 0.989005 Ni\n0.727686 0.501417 0.363998 Ni\n0.978014 0.001123 0.488863 Ni\n0.046055 0.983959 0.294495 O\n0.044812 0.983962 0.794676 O\n0.779593 0.517042 0.177774 O\n0.777338 0.518301 0.678189 O\n0.356136 0.484208 0.388858 O\n0.355190 0.484048 0.889947 O\n0.589132 0.017366 0.023150 O\n0.589104 0.018429 0.522323 O\n0.182067 0.830579 0.034865 O\n0.183511 0.830943 0.535189 O\n0.761735 0.670126 0.994636 O\n0.763500 0.671649 0.495426 O\n0.989603 0.331297 0.381312 O\n0.990666 0.329950 0.881947 O\n0.070202 0.170982 0.091911 O\n0.069691 0.171378 0.591416 O\n0.012840 0.724195 0.228805 O\n0.015370 0.723832 0.728970 O\n0.486625 0.776747 0.242053 O\n0.488002 0.778381 0.742494 O\n0.484602 0.223833 0.244190 O\n0.484477 0.224165 0.743926 O\n0.456649 0.278728 0.507685 O\n0.458402 0.277370 0.007498 O\n",
"nsites": 44,
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"Ni",
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],
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"density_atomic": 0.08584546370373007,
"volume": 512.5489233985949,
"volume_molar": 7.015094916119991,
"formula_full": "Li8 Si8 Ni4 O24",
"formula_reduced": "Li2Si2NiO6",
"formula_anonymous": "AB2C2D6",
"energy": -317.3591303,
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"updated_at": "2021-11-28T01:35:19.373000Z",
"spacegroup": 43
},
{
"id": "mp-861993",
"created_at": "2022-09-04T14:41:24.960674Z",
"structure_string": "Ho2 Tl1 Ag1\n1.0\n0.000000 3.711060 3.711060\n3.711060 0.000000 3.711060\n3.711060 3.711060 0.000000\nHo Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
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"elements": [
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"formula_full": "Ho2 Tl1 Ag1",
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"energy": -15.72932086,
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"spacegroup": 225
},
{
"id": "mp-782636",
"created_at": "2022-09-04T14:41:24.962060Z",
"structure_string": "Li6 Cr6 Fe3 O18\n1.0\n6.023471 -2.807976 0.026821\n-3.467799 -5.667010 -0.027444\n-3.491764 -1.046953 -7.582281\nLi Cr Fe O\n6 6 3 18\ndirect\n0.332415 0.327485 0.502640 Li\n0.334252 0.005848 0.830693 Li\n0.668681 0.666563 0.501126 Li\n0.997986 0.666770 0.832208 Li\n0.663169 0.998574 0.165145 Li\n0.003498 0.334760 0.168188 Li\n0.665614 0.660984 0.998106 Cr\n0.667353 0.333746 0.332159 Cr\n0.669199 0.000565 0.665598 Cr\n0.999314 0.999588 0.001174 Cr\n0.001053 0.672349 0.335227 Cr\n0.997468 0.332768 0.667736 Cr\n0.333333 0.666667 0.666667 Fe\n0.334279 0.334074 0.998896 Fe\n0.332387 0.999259 0.334438 Fe\n0.019250 0.991449 0.242591 O\n0.009821 0.646154 0.582776 O\n0.026869 0.321307 0.918180 O\n0.354683 0.996997 0.575423 O\n0.343681 0.640773 0.913774 O\n0.678880 0.975928 0.914278 O\n0.322986 0.692560 0.419559 O\n0.311983 0.336336 0.757911 O\n0.656846 0.687179 0.750557 O\n0.344507 0.305519 0.247690 O\n0.687992 0.652320 0.246194 O\n0.680256 0.319488 0.572562 O\n0.322160 0.027814 0.085643 O\n0.647416 0.341885 0.090742 O\n0.639798 0.012026 0.415154 O\n0.978675 0.681014 0.087139 O\n0.987786 0.357406 0.419056 O\n0.986410 0.013845 0.760771 O\n",
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"elements": [
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"formula_full": "Li6 Cr6 Fe3 O18",
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