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{
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{
"id": "mp-1205898",
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"structure_string": "Sc6 Te2 Ru1\n1.0\n3.888643 -6.735328 0.000000\n3.888643 6.735328 0.000000\n0.000000 0.000000 3.850045\nSc Te Ru\n6 2 1\ndirect\n0.239368 0.000000 0.500000 Sc\n0.000000 0.239368 0.500000 Sc\n0.760632 0.760632 0.500000 Sc\n0.616442 0.000000 0.000000 Sc\n0.000000 0.616442 0.000000 Sc\n0.383558 0.383558 0.000000 Sc\n0.333333 0.666667 0.500000 Te\n0.666667 0.333333 0.500000 Te\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Sc6 Te2 Ru1",
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"updated_at": "2021-11-28T01:34:41.327000Z",
"spacegroup": 189
},
{
"id": "mp-1214169",
"created_at": "2022-09-04T14:40:05.823167Z",
"structure_string": "Ca10 Co2 Pb6\n1.0\n4.755921 -8.237496 0.000000\n4.755921 8.237496 0.000000\n0.000000 0.000000 6.761321\nCa Co Pb\n10 2 6\ndirect\n0.250976 0.000000 0.250000 Ca\n0.749024 0.000000 0.750000 Ca\n0.000000 0.250976 0.250000 Ca\n0.000000 0.749024 0.750000 Ca\n0.749024 0.749024 0.250000 Ca\n0.250976 0.250976 0.750000 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.605414 0.000000 0.250000 Pb\n0.394586 0.000000 0.750000 Pb\n0.000000 0.605414 0.250000 Pb\n0.000000 0.394586 0.750000 Pb\n0.394586 0.394586 0.250000 Pb\n0.605414 0.605414 0.750000 Pb\n",
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"elements": [
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"volume": 529.7749258083172,
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"formula_full": "Ca10 Co2 Pb6",
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{
"id": "mp-1193027",
"created_at": "2022-09-04T14:39:58.380455Z",
"structure_string": "Ce6 Zn6 Ni12\n1.0\n2.635811 -4.565359 0.000000\n2.635811 4.565359 0.000000\n0.000000 0.000000 16.333019\nCe Zn Ni\n6 6 12\ndirect\n0.333333 0.666667 0.954359 Ce\n0.666667 0.333333 0.045641 Ce\n0.666667 0.333333 0.454359 Ce\n0.333333 0.666667 0.545641 Ce\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.168136 0.831864 0.374638 Ni\n0.168136 0.336272 0.374638 Ni\n0.663728 0.831864 0.374638 Ni\n0.831864 0.168136 0.625362 Ni\n0.831864 0.663728 0.625362 Ni\n0.336272 0.168136 0.625362 Ni\n0.831864 0.168136 0.874638 Ni\n0.831864 0.663728 0.874638 Ni\n0.336272 0.168136 0.874638 Ni\n0.168136 0.831864 0.125362 Ni\n0.168136 0.336272 0.125362 Ni\n0.663728 0.831864 0.125362 Ni\n",
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"elements": [
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"Zn",
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],
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"density": 8.184621498761398,
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"volume": 393.08426837864516,
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"formula_full": "Ce6 Zn6 Ni12",
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"spacegroup": 194
},
{
"id": "mp-1206999",
"created_at": "2022-09-04T14:40:05.830144Z",
"structure_string": "Sm1 Ge1 Pd3\n1.0\n4.714479 0.000000 0.000000\n0.000000 4.714479 0.000000\n0.000000 0.000000 4.714479\nSm Ge Pd\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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"elements": [
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],
"chemical_system": "Ge-Pd-Sm",
"density": 8.59321247950223,
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"volume": 104.78548230971651,
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"formula_full": "Sm1 Ge1 Pd3",
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},
{
"id": "mp-1096934",
"created_at": "2022-09-04T14:40:05.870486Z",
"structure_string": "Cr28 N56\n1.0\n9.141115 0.000000 0.000000\n0.000000 13.521872 0.000000\n0.000000 4.503503 15.951166\nCr N\n28 56\ndirect\n0.184606 0.138823 0.110090 Cr\n0.815394 0.138823 0.110090 Cr\n0.815394 0.861177 0.889910 Cr\n0.184606 0.861177 0.889910 Cr\n0.814980 0.884549 0.218438 Cr\n0.185020 0.884549 0.218438 Cr\n0.185020 0.115451 0.781562 Cr\n0.814980 0.115451 0.781562 Cr\n0.312843 0.903983 0.404957 Cr\n0.687157 0.903983 0.404957 Cr\n0.687157 0.096017 0.595043 Cr\n0.312843 0.096017 0.595043 Cr\n0.814158 0.139036 0.401914 Cr\n0.185842 0.139036 0.401914 Cr\n0.185842 0.860964 0.598086 Cr\n0.814158 0.860964 0.598086 Cr\n0.313475 0.292856 0.227175 Cr\n0.686525 0.292856 0.227175 Cr\n0.686525 0.707144 0.772825 Cr\n0.313475 0.707144 0.772825 Cr\n0.812409 0.513961 0.097032 Cr\n0.187591 0.513961 0.097032 Cr\n0.187591 0.486039 0.902968 Cr\n0.812409 0.486039 0.902968 Cr\n0.686484 0.246299 0.914278 Cr\n0.313516 0.246299 0.914278 Cr\n0.313516 0.753701 0.085722 Cr\n0.686484 0.753701 0.085722 Cr\n0.000000 0.165693 0.107037 N\n0.000000 0.834307 0.892963 N\n0.000000 0.859470 0.221320 N\n0.000000 0.140530 0.778680 N\n0.500000 0.885279 0.410493 N\n0.500000 0.114721 0.589507 N\n0.000000 0.113659 0.405571 N\n0.000000 0.886341 0.594429 N\n0.500000 0.288847 0.243679 N\n0.500000 0.711153 0.756321 N\n0.000000 0.504990 0.105921 N\n0.000000 0.495010 0.894079 N\n0.500000 0.256667 0.923724 N\n0.500000 0.743333 0.076276 N\n0.237730 0.843820 0.502411 N\n0.762270 0.843820 0.502411 N\n0.762270 0.156180 0.497589 N\n0.237730 0.156180 0.497589 N\n0.247553 0.168912 0.007785 N\n0.752447 0.168912 0.007785 N\n0.752447 0.831088 0.992215 N\n0.247553 0.831088 0.992215 N\n0.263386 0.416569 0.176246 N\n0.736614 0.416569 0.176246 N\n0.736614 0.583431 0.823754 N\n0.263386 0.583431 0.823754 N\n0.272101 0.214711 0.163602 N\n0.727899 0.214711 0.163602 N\n0.727899 0.785289 0.836398 N\n0.272101 0.785289 0.836398 N\n0.210204 0.010324 0.160877 N\n0.789796 0.010324 0.160877 N\n0.789796 0.989676 0.839123 N\n0.210204 0.989676 0.839123 N\n0.279577 0.032971 0.387746 N\n0.720423 0.032971 0.387746 N\n0.720423 0.967029 0.612254 N\n0.279577 0.967029 0.612254 N\n0.725595 0.807829 0.165941 N\n0.274405 0.807829 0.165941 N\n0.274405 0.192171 0.834059 N\n0.725595 0.192171 0.834059 N\n0.762421 0.500000 0.000000 N\n0.237579 0.500000 0.000000 N\n0.754106 0.864794 0.320252 N\n0.245894 0.864794 0.320252 N\n0.245894 0.135206 0.679748 N\n0.754106 0.135206 0.679748 N\n0.759977 0.631286 0.109283 N\n0.240023 0.631286 0.109283 N\n0.240023 0.368714 0.890717 N\n0.759977 0.368714 0.890717 N\n0.779983 0.247500 0.321205 N\n0.220017 0.247500 0.321205 N\n0.220017 0.752500 0.678795 N\n0.779983 0.752500 0.678795 N\n",
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"formula_full": "Cr28 N56",
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{
"id": "mp-769568",
"created_at": "2022-09-04T14:39:58.374785Z",
"structure_string": "Mn2 V3 Cr1 P6 O24\n1.0\n7.476436 -4.307789 0.000000\n7.476436 4.307789 0.000000\n4.994364 0.000000 7.036367\nMn V Cr P O\n2 3 1 6 24\ndirect\n0.999751 0.999751 0.999751 Mn\n0.499523 0.499523 0.499523 Mn\n0.355740 0.355740 0.355740 V\n0.143414 0.143414 0.143414 V\n0.644195 0.644195 0.644195 V\n0.857298 0.857298 0.857298 Cr\n0.041005 0.460226 0.750243 P\n0.460226 0.750243 0.041005 P\n0.750243 0.041005 0.460226 P\n0.249742 0.958295 0.541805 P\n0.541805 0.249742 0.958295 P\n0.958295 0.541805 0.249742 P\n0.494930 0.693169 0.880207 O\n0.693169 0.880207 0.494930 O\n0.880207 0.494930 0.693169 O\n0.058504 0.264241 0.914462 O\n0.009636 0.618203 0.803857 O\n0.235728 0.438386 0.583940 O\n0.264241 0.914462 0.058504 O\n0.438386 0.583940 0.235728 O\n0.193832 0.994611 0.380541 O\n0.583940 0.235728 0.438386 O\n0.086391 0.943525 0.735279 O\n0.380541 0.193832 0.994611 O\n0.618203 0.803857 0.009636 O\n0.914462 0.058504 0.264241 O\n0.416028 0.764275 0.558369 O\n0.803857 0.009636 0.618203 O\n0.558369 0.416028 0.764275 O\n0.735279 0.086391 0.943525 O\n0.764275 0.558369 0.416028 O\n0.994611 0.380541 0.193832 O\n0.943525 0.735279 0.086391 O\n0.118356 0.502331 0.309975 O\n0.309975 0.118356 0.502331 O\n0.502331 0.309975 0.118356 O\n",
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],
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"formula_full": "Mn2 V3 Cr1 P6 O24",
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{
"id": "mp-1234789",
"created_at": "2022-09-04T14:40:05.861178Z",
"structure_string": "Rb2 Mg1 Cu4 H5 S4 O20\n1.0\n9.649527 -0.756485 6.590532\n3.957055 4.723873 0.493206\n-1.136734 0.021016 8.290624\nRb Mg Cu H S O\n2 1 4 5 4 20\ndirect\n0.018685 0.466299 0.536174 Rb\n0.473196 0.525116 0.501320 Rb\n0.944091 0.553049 0.193768 Mg\n0.280158 0.969334 0.988211 Cu\n0.281684 0.462351 0.988475 Cu\n0.737414 0.010299 0.992709 Cu\n0.735621 0.518138 0.997593 Cu\n0.188900 0.308520 0.833609 H\n0.312561 0.686784 0.186710 H\n0.540912 0.458862 0.959113 H\n0.715659 0.284923 0.761663 H\n0.696553 0.811331 0.233790 H\n0.414876 0.087921 0.271724 S\n0.064446 0.935989 0.749158 S\n0.908187 0.089128 0.317552 S\n0.605437 0.892306 0.686577 S\n0.014982 0.182424 0.239097 O\n0.013369 0.783473 0.243994 O\n0.313406 0.187021 0.189950 O\n0.322978 0.184779 0.477190 O\n0.172714 0.324341 0.959357 O\n0.357601 0.641023 0.050579 O\n0.157615 0.853147 0.543240 O\n0.518330 0.184486 0.203155 O\n0.164822 0.826285 0.830342 O\n0.504362 0.190782 0.737225 O\n0.515785 0.785660 0.207797 O\n0.801354 0.193237 0.246411 O\n0.502668 0.797903 0.738820 O\n0.827287 0.175324 0.522601 O\n0.662410 0.338208 0.902242 O\n0.791668 0.712564 0.107030 O\n0.721369 0.774389 0.478408 O\n0.691374 0.807325 0.787563 O\n0.960775 0.239108 0.825285 O\n0.959609 0.841506 0.808444 O\n",
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{
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{
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"formula_full": "Mg12 Cr2 B2",
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{
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{
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"structure_string": "Li8 Mn8 F40\n1.0\n-7.096793 7.096793 3.363990\n7.096793 -7.096793 3.363990\n7.096793 7.096793 -3.363990\nLi Mn F\n8 8 40\ndirect\n0.552798 0.585892 0.794431 Li\n0.458539 0.991633 0.294431 Li\n0.241633 0.447202 0.033093 Li\n0.835892 0.541461 0.533093 Li\n0.414108 0.208539 0.966907 Li\n0.008367 0.302798 0.466907 Li\n0.697202 0.164108 0.705569 Li\n0.791461 0.758367 0.205569 Li\n0.496683 0.698918 0.395861 Mn\n0.350822 0.246683 0.297764 Mn\n0.948918 0.053058 0.702236 Mn\n0.303058 0.100822 0.604139 Mn\n0.946942 0.649178 0.895861 Mn\n0.301082 0.696942 0.797764 Mn\n0.899178 0.503317 0.202236 Mn\n0.753317 0.051082 0.104139 Mn\n0.713856 0.799013 0.338841 F\n0.346061 0.416048 0.373916 F\n0.666048 0.792132 0.569986 F\n0.049014 0.210173 0.585158 F\n0.625015 0.463856 0.414842 F\n0.222146 0.096061 0.430014 F\n0.357950 0.086294 0.245752 F\n0.409458 0.637802 0.745752 F\n0.042132 0.972146 0.626084 F\n0.124779 0.819074 0.535230 F\n0.966156 0.160452 0.035230 F\n0.801301 0.373543 0.335682 F\n0.212139 0.284381 0.835682 F\n0.460173 0.375015 0.661159 F\n0.180926 0.716156 0.305704 F\n0.839548 0.874779 0.805704 F\n0.623543 0.787861 0.072242 F\n0.534381 0.198699 0.572242 F\n0.887802 0.642050 0.728344 F\n0.336294 0.590542 0.228344 F\n0.362198 0.107950 0.771656 F\n0.913706 0.159458 0.271656 F\n0.626457 0.962139 0.427758 F\n0.715619 0.551301 0.927758 F\n0.410452 0.875221 0.694296 F\n0.069074 0.033844 0.194296 F\n0.789827 0.374985 0.838841 F\n0.037861 0.465619 0.664318 F\n0.448699 0.376457 0.164318 F\n0.283844 0.589548 0.464770 F\n0.125221 0.930926 0.964770 F\n0.207868 0.777854 0.873916 F\n0.840542 0.112198 0.754248 F\n0.892050 0.663706 0.254248 F\n0.027854 0.653939 0.069986 F\n0.624985 0.286144 0.085158 F\n0.200986 0.539827 0.914842 F\n0.583952 0.957868 0.930014 F\n0.903939 0.333952 0.126084 F\n0.536144 0.950986 0.161159 F\n",
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}