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"results": [
{
"id": "mp-695505",
"created_at": "2022-09-04T14:45:17.013847Z",
"structure_string": "K2 Li1 Nb6 P3 O24\n1.0\n8.531322 0.000000 0.000000\n-2.091690 8.281985 0.000000\n-2.095493 -2.673268 7.841025\nK Li Nb P O\n2 1 6 3 24\ndirect\n0.694991 0.089170 0.405821 K\n0.304643 0.594182 0.911292 K\n0.579139 0.578996 0.577046 Li\n0.353859 0.159850 0.038235 Nb\n0.040586 0.357623 0.163809 Nb\n0.971362 0.846270 0.652554 Nb\n0.160580 0.038761 0.356961 Nb\n0.655520 0.973343 0.849666 Nb\n0.848699 0.652917 0.973010 Nb\n0.723777 0.499842 0.275393 P\n0.275905 0.724481 0.499664 P\n0.499676 0.276181 0.723772 P\n0.975058 0.499798 0.028050 O\n0.001511 0.847393 0.153383 O\n0.847253 0.153561 0.002445 O\n0.709905 0.582372 0.133034 O\n0.206121 0.314108 0.064916 O\n0.866365 0.417564 0.288792 O\n0.552802 0.357089 0.236528 O\n0.753868 0.633367 0.449065 O\n0.314412 0.065709 0.206491 O\n0.291123 0.868025 0.419564 O\n0.234424 0.552316 0.358412 O\n0.062971 0.202786 0.309606 O\n0.024139 0.971172 0.496345 O\n0.790236 0.927773 0.683293 O\n0.448344 0.751052 0.634344 O\n0.135009 0.712098 0.584340 O\n0.929412 0.687863 0.793463 O\n0.359402 0.234832 0.550618 O\n0.632098 0.450653 0.753053 O\n0.583087 0.134065 0.708952 O\n0.682926 0.789894 0.926867 O\n0.418953 0.292138 0.867085 O\n0.153688 0.000506 0.847236 O\n0.498152 0.026252 0.972895 O\n",
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"formula_full": "K2 Li1 Nb6 P3 O24",
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"updated_at": "2021-11-28T01:36:53.699000Z",
"spacegroup": 1
},
{
"id": "mp-1367927",
"created_at": "2022-09-04T14:45:17.033994Z",
"structure_string": "Ca4 Ta2 Ni2 O12\n1.0\n5.456034 -0.124166 0.000000\n0.292322 5.625060 0.000000\n0.000000 0.000000 7.729144\nCa Ta Ni O\n4 2 2 12\ndirect\n0.023582 0.957003 0.250000 Ca\n0.490966 0.432828 0.250000 Ca\n0.509034 0.567172 0.750000 Ca\n0.976418 0.042997 0.750000 Ca\n0.000000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.796278 0.791528 0.547113 O\n0.287789 0.698394 0.455763 O\n0.203722 0.208472 0.452887 O\n0.712211 0.301606 0.955763 O\n0.090149 0.474066 0.750000 O\n0.712211 0.301606 0.544237 O\n0.287789 0.698394 0.044237 O\n0.796278 0.791528 0.952887 O\n0.596180 0.026165 0.250000 O\n0.203722 0.208472 0.047113 O\n0.403820 0.973835 0.750000 O\n0.909851 0.525934 0.250000 O\n",
"nsites": 20,
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"elements": [
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"density": 5.814441853743613,
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"volume": 237.4919783025571,
"volume_molar": 7.1510506135443235,
"formula_full": "Ca4 Ta2 Ni2 O12",
"formula_reduced": "Ca2TaNiO6",
"formula_anonymous": "ABC2D6",
"energy": -158.12819094,
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"spacegroup": 11
},
{
"id": "mp-755656",
"created_at": "2022-09-04T14:45:17.042319Z",
"structure_string": "Li9 Mn3 F18\n1.0\n4.860375 0.000000 0.000000\n-0.047755 8.473469 0.000000\n-0.060771 -4.210750 7.685400\nLi Mn F\n9 3 18\ndirect\n0.992871 0.013972 0.354576 Li\n0.499695 0.687378 0.998523 Li\n0.996451 0.987669 0.644549 Li\n0.491906 0.990873 0.700634 Li\n0.996148 0.647822 0.994772 Li\n0.009260 0.358498 0.005212 Li\n0.998269 0.660660 0.650963 Li\n0.007022 0.345277 0.352654 Li\n0.508913 0.283851 0.290889 Li\n0.490320 0.333407 0.665886 Mn\n0.510116 0.665825 0.333437 Mn\n0.000054 0.000758 0.000104 Mn\n0.209423 0.785908 0.899564 F\n0.717489 0.548936 0.777464 F\n0.261760 0.435381 0.558303 F\n0.249751 0.461858 0.895901 F\n0.741778 0.231798 0.439015 F\n0.216500 0.119636 0.235182 F\n0.791547 0.885891 0.101698 F\n0.713954 0.216800 0.760029 F\n0.255582 0.121853 0.575323 F\n0.206374 0.108661 0.890043 F\n0.289169 0.768098 0.224588 F\n0.739203 0.881251 0.445262 F\n0.753601 0.565463 0.106084 F\n0.257832 0.787527 0.560676 F\n0.781296 0.887397 0.765979 F\n0.279685 0.450971 0.239337 F\n0.740684 0.548940 0.424627 F\n0.793355 0.217711 0.108740 F\n",
"nsites": 30,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.9864688457956086,
"density_atomic": 0.09478153882383111,
"volume": 316.5173342011307,
"volume_molar": 6.353706465130571,
"formula_full": "Li9 Mn3 F18",
"formula_reduced": "Li3MnF6",
"formula_anonymous": "AB3C6",
"energy": -168.89672744,
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"updated_at": "2021-11-28T01:36:57.618000Z",
"spacegroup": 1
},
{
"id": "mp-1101720",
"created_at": "2022-09-04T14:45:16.943988Z",
"structure_string": "Sn8 Pb8 O24\n1.0\n5.838096 0.000000 0.000000\n0.000000 8.186615 0.000000\n0.000000 0.000000 11.820277\nSn Pb O\n8 8 24\ndirect\n0.249127 0.249948 0.125113 Sn\n0.249127 0.750052 0.125113 Sn\n0.250873 0.750052 0.625113 Sn\n0.250873 0.249948 0.625113 Sn\n0.749127 0.750052 0.374887 Sn\n0.749127 0.249948 0.374887 Sn\n0.750873 0.249948 0.874887 Sn\n0.750873 0.750052 0.874887 Sn\n0.231340 0.500000 0.372004 Pb\n0.226626 0.000000 0.378971 Pb\n0.273374 0.000000 0.878971 Pb\n0.268660 0.500000 0.872004 Pb\n0.731340 0.500000 0.127996 Pb\n0.726626 0.000000 0.121029 Pb\n0.773374 0.000000 0.621029 Pb\n0.768660 0.500000 0.627996 Pb\n0.000000 0.215569 0.000000 O\n0.000000 0.784431 0.000000 O\n0.000000 0.202377 0.500000 O\n0.000000 0.797623 0.500000 O\n0.029883 0.287907 0.261002 O\n0.029883 0.712093 0.261002 O\n0.206246 0.500000 0.590409 O\n0.226187 0.000000 0.661238 O\n0.273813 0.000000 0.161238 O\n0.293754 0.500000 0.090409 O\n0.470117 0.287907 0.761002 O\n0.470117 0.712093 0.761002 O\n0.500000 0.202377 0.000000 O\n0.500000 0.797623 0.000000 O\n0.500000 0.784431 0.500000 O\n0.500000 0.215569 0.500000 O\n0.529883 0.712093 0.238998 O\n0.529883 0.287907 0.238998 O\n0.706246 0.500000 0.909591 O\n0.726187 0.000000 0.838762 O\n0.773813 0.000000 0.338762 O\n0.793754 0.500000 0.409591 O\n0.970117 0.287907 0.738998 O\n0.970117 0.712093 0.738998 O\n",
"nsites": 40,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Sn",
"density": 8.792266045783204,
"density_atomic": 0.07080382797886334,
"volume": 564.9412064548399,
"volume_molar": 8.505388665988166,
"formula_full": "Sn8 Pb8 O24",
"formula_reduced": "SnPbO3",
"formula_anonymous": "ABC3",
"energy": -252.5882982,
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"updated_at": "2021-11-28T01:36:59.725000Z",
"spacegroup": 55
},
{
"id": "mp-1246847",
"created_at": "2022-09-04T14:45:16.950421Z",
"structure_string": "Na24 Al8 N16\n1.0\n9.274573 0.000000 0.000000\n6.183049 8.744151 0.000000\n-6.183049 4.372076 7.572657\nNa Al N\n24 8 16\ndirect\n0.191217 0.067656 0.960090 Na\n0.808783 0.758873 0.539910 Na\n0.808783 0.432344 0.768873 Na\n0.191217 0.741127 0.731127 Na\n0.271038 0.768873 0.298783 Na\n0.728962 0.731127 0.027746 Na\n0.271038 0.960090 0.472254 Na\n0.728962 0.539910 0.201217 Na\n0.673471 0.027746 0.741127 Na\n0.673471 0.298783 0.432344 Na\n0.326529 0.201217 0.758873 Na\n0.326529 0.472254 0.067656 Na\n0.808783 0.932344 0.039910 Na\n0.191217 0.241127 0.460090 Na\n0.191217 0.567656 0.231127 Na\n0.808783 0.258873 0.268873 Na\n0.728962 0.231127 0.701217 Na\n0.271038 0.268873 0.972254 Na\n0.728962 0.039910 0.527746 Na\n0.271038 0.460090 0.798783 Na\n0.326529 0.972254 0.258873 Na\n0.326529 0.701217 0.567656 Na\n0.673471 0.798783 0.241127 Na\n0.673471 0.527746 0.932344 Na\n0.209595 0.000000 0.709595 Al\n0.790405 0.709595 0.790405 Al\n0.790405 0.500000 0.500000 Al\n0.209595 0.790405 0.000000 Al\n0.790405 0.000000 0.290405 Al\n0.209595 0.290405 0.209595 Al\n0.209595 0.500000 0.500000 Al\n0.790405 0.209595 0.000000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.927611 0.750000 N\n0.500000 0.572389 0.250000 N\n0.000000 0.250000 0.677611 N\n0.000000 0.750000 0.822389 N\n0.644778 0.677611 0.572389 N\n0.355222 0.822389 0.927611 N\n0.500000 0.072389 0.250000 N\n0.500000 0.427611 0.750000 N\n0.000000 0.750000 0.322389 N\n0.000000 0.250000 0.177611 N\n0.355222 0.322389 0.427611 N\n0.644778 0.177611 0.072389 N\n",
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"formula_full": "Na24 Al8 N16",
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"spacegroup": 206
},
{
"id": "mp-1079374",
"created_at": "2022-09-04T14:45:16.961970Z",
"structure_string": "Th2 Ta2 N6\n1.0\n1.617486 -5.280827 0.000000\n1.617486 5.280827 0.000000\n0.000000 0.000000 7.685094\nTh Ta N\n2 2 6\ndirect\n0.738008 0.261992 0.250000 Th\n0.261992 0.738008 0.750000 Th\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.071757 0.928243 0.250000 N\n0.928243 0.071757 0.750000 N\n0.370825 0.629175 0.443672 N\n0.629175 0.370825 0.556328 N\n0.370825 0.629175 0.056328 N\n0.629175 0.370825 0.943672 N\n",
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"formula_full": "Th2 Ta2 N6",
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"updated_at": "2021-11-28T01:37:00.019000Z",
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},
{
"id": "mp-849248",
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"structure_string": "Li4 Mn7 P6 O24\n1.0\n7.239983 5.452738 0.000000\n-7.239983 5.452738 0.000000\n0.000000 1.837424 6.402685\nLi Mn P O\n4 7 6 24\ndirect\n0.991323 0.991323 0.490013 Li\n0.631090 0.631090 0.576654 Li\n0.548721 0.317468 0.496822 Li\n0.317468 0.548721 0.496822 Li\n0.357717 0.001649 0.192779 Mn\n0.001649 0.357717 0.192779 Mn\n0.996561 0.996561 0.997979 Mn\n0.665375 0.333851 0.005042 Mn\n0.333851 0.665375 0.005042 Mn\n0.997281 0.637519 0.814014 Mn\n0.637519 0.997281 0.814014 Mn\n0.281421 0.906874 0.703751 P\n0.906874 0.281421 0.703751 P\n0.669907 0.669907 0.085630 P\n0.324778 0.324778 0.914504 P\n0.710982 0.076783 0.304713 P\n0.076783 0.710982 0.304713 P\n0.649326 0.955262 0.513401 O\n0.955262 0.649326 0.513401 O\n0.950550 0.374958 0.876462 O\n0.374958 0.950550 0.876462 O\n0.797644 0.797644 0.135163 O\n0.746021 0.576404 0.940188 O\n0.576404 0.746021 0.940188 O\n0.895860 0.102476 0.757847 O\n0.102476 0.895860 0.757847 O\n0.274425 0.729592 0.710168 O\n0.729592 0.274425 0.710168 O\n0.557451 0.557451 0.287951 O\n0.435630 0.435630 0.707223 O\n0.701984 0.248351 0.307061 O\n0.248351 0.701984 0.307061 O\n0.893636 0.102708 0.239412 O\n0.102708 0.893636 0.239412 O\n0.194945 0.194945 0.874158 O\n0.615764 0.026594 0.137741 O\n0.026594 0.615764 0.137741 O\n0.249586 0.423921 0.048962 O\n0.423921 0.249586 0.048962 O\n0.028078 0.360601 0.497402 O\n0.360601 0.028078 0.497402 O\n",
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"formula_full": "Li4 Mn7 P6 O24",
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{
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"created_at": "2022-09-04T14:45:17.334303Z",
"structure_string": "Yb2 Pd1 Rh1\n1.0\n0.000000 3.393064 3.393064\n3.393064 0.000000 3.393064\n3.393064 3.393064 0.000000\nYb Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
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},
{
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