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{
"id": "mp-1366504",
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{
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"density_atomic": 0.07370863871458118,
"volume": 434.1417852514172,
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"formula_full": "V8 O2 F22",
"formula_reduced": "V4OF11",
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"spacegroup": 2
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{
"id": "mp-1025268",
"created_at": "2022-09-04T14:39:32.849575Z",
"structure_string": "Pu2 W2 C3\n1.0\n1.642238 5.991732 0.000000\n-1.642238 5.991732 0.000000\n0.000000 2.260967 5.230076\nPu W C\n2 2 3\ndirect\n0.605643 0.605643 0.190919 Pu\n0.394357 0.394357 0.809081 Pu\n0.843703 0.843703 0.326788 W\n0.156297 0.156297 0.673212 W\n0.749258 0.749258 0.744039 C\n0.250742 0.250742 0.255961 C\n0.000000 0.000000 0.000000 C\n",
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"volume": 102.92632640841575,
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"formula_full": "Pu2 W2 C3",
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"spacegroup": 12
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{
"id": "mp-1217538",
"created_at": "2022-09-04T14:39:32.852299Z",
"structure_string": "Te2 W2 N2 O15\n1.0\n-3.667082 3.699717 5.175543\n3.667082 -3.699717 5.175543\n3.667082 3.699717 -5.175543\nTe W N O\n2 2 2 15\ndirect\n0.785456 0.536203 0.750747 Te\n0.785456 0.034710 0.249253 Te\n0.284314 0.534156 0.750157 W\n0.783999 0.534156 0.249843 W\n0.713071 0.006160 0.706912 N\n0.299248 0.006160 0.293088 N\n0.855648 0.855648 0.000000 O\n0.231852 0.231852 0.000000 O\n0.845910 0.846392 0.372300 O\n0.474092 0.473610 0.627700 O\n0.474092 0.846392 0.000482 O\n0.845910 0.473610 0.999518 O\n0.716938 0.216938 0.500000 O\n0.087988 0.587988 0.500000 O\n0.716073 0.220839 0.124166 O\n0.096673 0.591907 0.875834 O\n0.096673 0.220839 0.504766 O\n0.716073 0.591907 0.495234 O\n0.168119 0.018373 0.850254 O\n0.168119 0.317864 0.149746 O\n0.479296 0.479296 0.000000 O\n",
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"formula_full": "Te2 W2 N2 O15",
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"spacegroup": 44
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{
"id": "mp-1111613",
"created_at": "2022-09-04T14:39:32.854693Z",
"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n0.000000 5.414813 5.414813\n5.414813 0.000000 5.414813\n5.414813 5.414813 0.000000\nK Rb Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.783877 0.216123 0.216123 Cl\n0.216123 0.216123 0.783877 Cl\n0.216123 0.783877 0.783877 Cl\n0.216123 0.783877 0.216123 Cl\n0.783877 0.216123 0.783877 Cl\n0.783877 0.783877 0.216123 Cl\n",
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"volume": 317.52679834967967,
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"formula_full": "K2 Rb1 Al1 Cl6",
"formula_reduced": "K2RbAlCl6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-1027885",
"created_at": "2022-09-04T14:39:32.867978Z",
"structure_string": "K1 Mg14 Fe1\n1.0\n6.452470 -0.000000 -0.000000\n-3.226235 5.588002 -0.000000\n0.000000 -0.000000 10.199023\nK Mg Fe\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.152998 0.826498 0.125000 Mg\n0.178521 0.839260 0.625000 Mg\n0.673502 0.347002 0.125000 Mg\n0.660740 0.321479 0.625000 Mg\n0.673502 0.826498 0.125000 Mg\n0.660740 0.839260 0.625000 Mg\n0.328214 0.171786 0.345680 Mg\n0.328214 0.171786 0.904320 Mg\n0.328214 0.656429 0.345680 Mg\n0.328214 0.656429 0.904320 Mg\n0.843571 0.171786 0.345680 Mg\n0.843571 0.171786 0.904320 Mg\n0.833333 0.666667 0.384171 Mg\n0.833333 0.666667 0.865829 Mg\n0.166667 0.333333 0.125000 Fe\n",
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"volume": 367.7402085846742,
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{
"id": "mp-1340170",
"created_at": "2022-09-04T14:39:32.872623Z",
"structure_string": "Ca4 Ti2 Ir2 O12\n1.0\n5.578392 0.000000 0.000000\n0.000000 5.402408 0.000000\n0.000000 5.418462 7.718693\nCa Ti Ir O\n4 2 2 12\ndirect\n0.945567 0.235921 0.749978 Ca\n0.445567 0.764079 0.750022 Ca\n0.554433 0.235921 0.249978 Ca\n0.054433 0.764079 0.250022 Ca\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.476379 0.665836 0.247568 O\n0.210102 0.846072 0.953729 O\n0.202744 0.250915 0.544296 O\n0.702744 0.749085 0.955704 O\n0.710102 0.153928 0.546271 O\n0.976379 0.334164 0.252432 O\n0.023621 0.665836 0.747568 O\n0.289898 0.846072 0.453729 O\n0.297256 0.250915 0.044296 O\n0.789898 0.153928 0.046271 O\n0.797256 0.749085 0.455704 O\n0.523621 0.334164 0.752432 O\n",
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"formula_full": "Ca4 Ti2 Ir2 O12",
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{
"id": "mp-1201464",
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"structure_string": "Cs8 Cu40 S24\n1.0\n13.084112 0.000000 0.000000\n0.000000 13.084112 0.000000\n0.000000 0.000000 7.806430\nCs Cu S\n8 40 24\ndirect\n0.615272 0.111293 0.625801 Cs\n0.115272 0.388707 0.874199 Cs\n0.384728 0.888707 0.625801 Cs\n0.884728 0.611293 0.874199 Cs\n0.888707 0.615272 0.374199 Cs\n0.611293 0.115272 0.125801 Cs\n0.111293 0.384728 0.374199 Cs\n0.388707 0.884728 0.125801 Cs\n0.508286 0.384492 0.602726 Cu\n0.008286 0.115508 0.897274 Cu\n0.491714 0.615508 0.602726 Cu\n0.991714 0.884492 0.897274 Cu\n0.615508 0.508286 0.397274 Cu\n0.884492 0.008286 0.102726 Cu\n0.384492 0.491714 0.397274 Cu\n0.115508 0.991714 0.102726 Cu\n0.900544 0.021998 0.636919 Cu\n0.400544 0.478002 0.863081 Cu\n0.099456 0.978002 0.636919 Cu\n0.599456 0.521998 0.863081 Cu\n0.978002 0.900544 0.363081 Cu\n0.521998 0.400544 0.136919 Cu\n0.021998 0.099456 0.363081 Cu\n0.478002 0.599456 0.136919 Cu\n0.647799 0.780662 0.634749 Cu\n0.147799 0.719338 0.865251 Cu\n0.352201 0.219338 0.634749 Cu\n0.852201 0.280662 0.865251 Cu\n0.219338 0.647799 0.365251 Cu\n0.280662 0.147799 0.134749 Cu\n0.780662 0.352201 0.365251 Cu\n0.719338 0.852201 0.134749 Cu\n0.891214 0.219819 0.535993 Cu\n0.391214 0.280181 0.964007 Cu\n0.108786 0.780181 0.535993 Cu\n0.608786 0.719819 0.964007 Cu\n0.780181 0.891214 0.464007 Cu\n0.719819 0.391214 0.035993 Cu\n0.219819 0.108786 0.464007 Cu\n0.280181 0.608786 0.035993 Cu\n0.714993 0.397172 0.684255 Cu\n0.214993 0.102828 0.815745 Cu\n0.285007 0.602828 0.684255 Cu\n0.785007 0.897172 0.815745 Cu\n0.602828 0.714993 0.315745 Cu\n0.897172 0.214993 0.184255 Cu\n0.397172 0.285007 0.315745 Cu\n0.102828 0.785007 0.184255 Cu\n0.880725 0.380861 0.620330 S\n0.380725 0.119139 0.879670 S\n0.119275 0.619139 0.620330 S\n0.619275 0.880861 0.879670 S\n0.619139 0.880725 0.379670 S\n0.880861 0.380725 0.120330 S\n0.380861 0.119275 0.379670 S\n0.119139 0.619275 0.120330 S\n0.910416 0.840798 0.631151 S\n0.410416 0.659202 0.868849 S\n0.089584 0.159202 0.631151 S\n0.589584 0.340798 0.868849 S\n0.159202 0.910416 0.368849 S\n0.340798 0.410416 0.131151 S\n0.840798 0.089584 0.368849 S\n0.659202 0.589584 0.131151 S\n0.665556 0.605601 0.627000 S\n0.165556 0.894399 0.873000 S\n0.334444 0.394399 0.627000 S\n0.834444 0.105601 0.873000 S\n0.394399 0.665556 0.373000 S\n0.105601 0.165556 0.127000 S\n0.605601 0.334444 0.373000 S\n0.894399 0.834444 0.127000 S\n",
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{
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"structure_string": "Th1 Ge2 Pd2\n1.0\n-2.162807 2.162807 5.151076\n2.162807 -2.162807 5.151076\n2.162807 2.162807 -5.151076\nTh Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.620122 0.620122 0.000000 Ge\n0.379878 0.379878 0.000000 Ge\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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{
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{
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{
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}