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{
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"structure_string": "K8 Sn4 Te12\n1.0\n4.396131 -11.713516 0.000000\n4.396131 11.713516 0.000000\n0.000000 0.000000 8.837833\nK Sn Te\n8 4 12\ndirect\n0.077780 0.922220 0.000000 K\n0.422220 0.577780 0.500000 K\n0.922220 0.077780 0.000000 K\n0.577780 0.422220 0.500000 K\n0.234827 0.765173 0.000000 K\n0.734827 0.265173 0.500000 K\n0.265173 0.734827 0.500000 K\n0.765173 0.234827 0.000000 K\n0.415698 0.584302 0.000000 Sn\n0.084302 0.915698 0.500000 Sn\n0.584302 0.415698 0.000000 Sn\n0.915698 0.084302 0.500000 Sn\n0.335713 0.036832 0.686120 Te\n0.536832 0.835713 0.813880 Te\n0.164287 0.463168 0.186120 Te\n0.963168 0.664287 0.313880 Te\n0.664287 0.963168 0.313880 Te\n0.463168 0.164287 0.186120 Te\n0.835713 0.536832 0.813880 Te\n0.036832 0.335713 0.686120 Te\n0.832293 0.832293 0.667899 Te\n0.332293 0.332293 0.832101 Te\n0.667707 0.667707 0.167899 Te\n0.167707 0.167707 0.332101 Te\n",
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{
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},
{
"id": "mp-570459",
"created_at": "2022-09-04T14:47:09.689888Z",
"structure_string": "Te3\n1.0\n2.156428 3.810300 0.000000\n-2.156428 3.810300 0.000000\n0.000000 0.082601 6.003994\nTe\n3\ndirect\n0.313229 0.313229 0.662325 Te\n0.686771 0.686771 0.337675 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"density": 6.4425329489238905,
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"volume": 98.66528580201589,
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"spacegroup": 12
},
{
"id": "mp-1236209",
"created_at": "2022-09-04T14:47:04.576255Z",
"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n5.115937 0.150515 3.199479\n1.847220 4.773180 3.199479\n0.212861 0.150515 6.030271\nLi Ag Cl O\n1 1 1 4\ndirect\n0.328272 0.328272 0.328272 Li\n0.517246 0.517246 0.517246 Ag\n0.000525 0.000525 0.000525 Cl\n0.104720 0.686943 0.104720 O\n0.095075 0.095075 0.095075 O\n0.686943 0.104720 0.104720 O\n0.104720 0.104720 0.686943 O\n",
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"elements": [
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"formula_full": "Li1 Ag1 Cl1 O4",
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{
"id": "mp-1212931",
"created_at": "2022-09-04T14:47:07.322783Z",
"structure_string": "Dy2 Tl2 W4 O16\n1.0\n5.337935 5.468136 0.000000\n-5.337935 5.468136 0.000000\n0.000000 4.819274 5.703498\nDy Tl W O\n2 2 4 16\ndirect\n0.776084 0.223916 0.750000 Dy\n0.223916 0.776084 0.250000 Dy\n0.204860 0.795140 0.750000 Tl\n0.795140 0.204860 0.250000 Tl\n0.700864 0.689554 0.782119 W\n0.299136 0.310446 0.217881 W\n0.310446 0.299136 0.717881 W\n0.689554 0.700864 0.282119 W\n0.620314 0.754768 0.558149 O\n0.379686 0.245232 0.441851 O\n0.245232 0.379686 0.941851 O\n0.754768 0.620314 0.058149 O\n0.375117 0.062517 0.877062 O\n0.624883 0.937483 0.122938 O\n0.937483 0.624883 0.622938 O\n0.062517 0.375117 0.377062 O\n0.589842 0.370207 0.966085 O\n0.410158 0.629793 0.033915 O\n0.629793 0.410158 0.533915 O\n0.370207 0.589842 0.466085 O\n0.783297 0.954621 0.690470 O\n0.216703 0.045379 0.309530 O\n0.045379 0.216703 0.809530 O\n0.954621 0.783297 0.190470 O\n",
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"O"
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"density": 8.603670597288037,
"density_atomic": 0.07208208891215674,
"volume": 332.95372487398,
"volume_molar": 8.354559157322587,
"formula_full": "Dy2 Tl2 W4 O16",
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"updated_at": "2021-11-28T01:37:55.737000Z",
"spacegroup": 15
},
{
"id": "mp-1185801",
"created_at": "2022-09-04T14:47:11.944496Z",
"structure_string": "Mg5 Ag1\n1.0\n2.696553 -4.670568 0.000000\n2.696553 4.670568 0.000000\n0.000000 0.000000 4.992534\nMg Ag\n5 1\ndirect\n0.666667 0.333333 0.000000 Mg\n0.322767 0.000000 0.500000 Mg\n0.677233 0.677233 0.500000 Mg\n0.000000 0.322767 0.500000 Mg\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.000000 Ag\n",
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"formula_full": "Mg5 Ag1",
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"updated_at": "2021-11-28T01:37:55.736000Z",
"spacegroup": 189
},
{
"id": "mp-1247101",
"created_at": "2022-09-04T14:47:12.111624Z",
"structure_string": "Lu1 Mg2 Ti3 S8\n1.0\n6.462995 0.061300 3.831898\n2.212085 6.073191 3.831970\n0.084963 0.060164 7.516562\nLu Mg Ti S\n1 2 3 8\ndirect\n0.499996 0.500020 0.499980 Lu\n0.873853 0.873806 0.873863 Mg\n0.126155 0.126195 0.126156 Mg\n0.500002 0.500000 0.999988 Ti\n0.000006 0.499984 0.500013 Ti\n0.499998 0.999992 0.500008 Ti\n0.740654 0.740683 0.740595 S\n0.249619 0.249614 0.725166 S\n0.249580 0.725146 0.249652 S\n0.725165 0.249564 0.249653 S\n0.750407 0.274845 0.750325 S\n0.274832 0.750439 0.750344 S\n0.259343 0.259308 0.259420 S\n0.750394 0.750399 0.274838 S\n",
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"elements": [
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],
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"energy": -88.80595811,
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{
"id": "mp-772146",
"created_at": "2022-09-04T14:47:03.721395Z",
"structure_string": "Li12 Fe12 P12 O48\n1.0\n5.325797 -9.224552 0.000000\n5.325797 9.224552 0.000000\n0.000000 0.000000 12.704585\nLi Fe P O\n12 12 12 48\ndirect\n0.000000 0.500000 0.007491 Li\n0.000000 0.500000 0.659176 Li\n0.000000 0.500000 0.333333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n0.500000 0.500000 0.340824 Li\n0.500000 0.500000 0.666667 Li\n0.500000 0.500000 0.992509 Li\n0.500000 0.000000 0.325842 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.674158 Li\n0.000000 0.747388 0.833333 Fe\n0.000000 0.252612 0.833333 Fe\n0.247812 0.752188 0.166667 Fe\n0.247812 0.495624 0.500000 Fe\n0.504376 0.752188 0.833333 Fe\n0.252612 0.252612 0.166667 Fe\n0.252612 0.000000 0.500000 Fe\n0.747388 0.747388 0.166667 Fe\n0.495624 0.247812 0.833333 Fe\n0.752188 0.504376 0.500000 Fe\n0.752188 0.247812 0.166667 Fe\n0.747388 0.000000 0.500000 Fe\n0.000000 0.756823 0.333333 P\n0.247854 0.752146 0.666667 P\n0.000000 0.243177 0.333333 P\n0.247854 0.495707 0.000000 P\n0.243177 0.243177 0.666667 P\n0.504293 0.752146 0.333333 P\n0.243177 0.000000 0.000000 P\n0.495707 0.247854 0.333333 P\n0.756823 0.756823 0.666667 P\n0.752146 0.504293 0.000000 P\n0.752146 0.247854 0.666667 P\n0.756823 0.000000 0.000000 P\n0.065600 0.876147 0.419515 O\n0.123853 0.934400 0.913818 O\n0.104430 0.699810 0.728545 O\n0.111373 0.719147 0.284049 O\n0.280853 0.888627 0.049284 O\n0.300190 0.895570 0.604789 O\n0.204521 0.620886 0.592891 O\n0.104430 0.404621 0.938122 O\n0.204521 0.583635 0.073776 O\n0.111373 0.392226 0.382617 O\n0.065600 0.189453 0.247152 O\n0.379114 0.795479 0.740442 O\n0.416365 0.795479 0.259558 O\n0.123853 0.189453 0.752848 O\n0.280853 0.392226 0.617383 O\n0.379114 0.583635 0.926224 O\n0.300190 0.404621 0.061878 O\n0.416365 0.620886 0.407109 O\n0.189453 0.123853 0.580485 O\n0.189453 0.065600 0.086182 O\n0.595379 0.895570 0.395211 O\n0.607774 0.888627 0.950716 O\n0.607774 0.719147 0.715951 O\n0.404621 0.300190 0.271455 O\n0.595379 0.699810 0.271455 O\n0.392226 0.280853 0.715951 O\n0.392226 0.111373 0.950716 O\n0.404621 0.104430 0.395211 O\n0.810547 0.934400 0.086182 O\n0.810547 0.876147 0.580485 O\n0.583635 0.379114 0.407109 O\n0.699810 0.595379 0.061878 O\n0.620886 0.416365 0.926224 O\n0.719147 0.607774 0.617383 O\n0.876147 0.810547 0.752848 O\n0.583635 0.204521 0.259558 O\n0.620886 0.204521 0.740442 O\n0.934400 0.810547 0.247152 O\n0.888627 0.607774 0.382617 O\n0.795479 0.416365 0.073776 O\n0.895570 0.595379 0.938122 O\n0.795479 0.379114 0.592891 O\n0.699810 0.104430 0.604789 O\n0.719147 0.111373 0.049284 O\n0.888627 0.280853 0.284049 O\n0.895570 0.300190 0.728545 O\n0.876147 0.065600 0.913818 O\n0.934400 0.123853 0.419515 O\n",
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"spacegroup": 181
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{
"id": "mp-1026821",
"created_at": "2022-09-04T14:47:04.560321Z",
"structure_string": "K1 Mg14 Cr1\n1.0\n6.458339 -0.000000 -0.000000\n-3.229170 5.593085 -0.000000\n0.000000 -0.000000 10.518806\nK Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 K\n0.171342 0.835671 0.125000 Mg\n0.165047 0.832523 0.625000 Mg\n0.664329 0.328658 0.125000 Mg\n0.667477 0.334953 0.625000 Mg\n0.664329 0.835671 0.125000 Mg\n0.667477 0.832523 0.625000 Mg\n0.334980 0.165020 0.391129 Mg\n0.334980 0.165020 0.858871 Mg\n0.334980 0.669961 0.391129 Mg\n0.334980 0.669961 0.858871 Mg\n0.830039 0.165020 0.391129 Mg\n0.830039 0.165020 0.858871 Mg\n0.833333 0.666667 0.369949 Mg\n0.833333 0.666667 0.880051 Mg\n0.166667 0.333333 0.625000 Cr\n",
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{
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{
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{
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}