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{
"id": "mp-1173361",
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{
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"structure_string": "Rb1 Nd1 Nb2 O7\n1.0\n3.923874 0.000000 0.000000\n0.000000 3.923874 0.000000\n0.000000 0.000000 11.372534\nRb Nd Nb O\n1 1 2 7\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.199835 Nb\n0.000000 0.000000 0.800165 Nb\n0.000000 0.500000 0.159742 O\n0.000000 0.500000 0.840258 O\n0.500000 0.000000 0.159742 O\n0.500000 0.000000 0.840258 O\n0.000000 0.000000 0.359054 O\n0.000000 0.000000 0.640946 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Rb1 Nd1 Nb2 O7",
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},
{
"id": "mp-20199",
"created_at": "2022-09-04T14:45:20.141930Z",
"structure_string": "P4 Pb4 S12\n1.0\n7.607503 0.000000 0.000000\n0.000000 6.804005 0.000000\n0.000000 6.506414 9.454853\nP Pb S\n4 4 12\ndirect\n0.391558 0.370967 0.065573 P\n0.108442 0.370967 0.565573 P\n0.608442 0.629033 0.934427 P\n0.891558 0.629033 0.434427 P\n0.877237 0.282095 0.251220 Pb\n0.377237 0.717905 0.248780 Pb\n0.122763 0.717905 0.748780 Pb\n0.622763 0.282095 0.751220 Pb\n0.807650 0.774273 0.538676 S\n0.799441 0.413402 0.939173 S\n0.700559 0.413402 0.439173 S\n0.307650 0.225727 0.961324 S\n0.495352 0.132891 0.259802 S\n0.004648 0.132891 0.759802 S\n0.200559 0.586598 0.060827 S\n0.192350 0.225727 0.461324 S\n0.504648 0.867109 0.740198 S\n0.299441 0.586598 0.560827 S\n0.995352 0.867109 0.240198 S\n0.692350 0.774273 0.038676 S\n",
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"volume": 489.3972643513623,
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{
"id": "mp-1105666",
"created_at": "2022-09-04T14:45:19.271757Z",
"structure_string": "Rh8 Se12\n1.0\n6.401120 0.000000 0.000000\n0.000000 6.528961 0.000000\n0.000000 0.000000 9.028515\nRh Se\n8 12\ndirect\n0.748233 0.532482 0.107647 Rh\n0.751767 0.032482 0.392353 Rh\n0.751767 0.467518 0.607647 Rh\n0.748233 0.967518 0.892353 Rh\n0.251767 0.467518 0.892353 Rh\n0.248233 0.967518 0.607647 Rh\n0.248233 0.532482 0.392353 Rh\n0.251767 0.032482 0.107647 Rh\n0.609707 0.894619 0.151496 Se\n0.890293 0.394619 0.348504 Se\n0.890293 0.105381 0.651496 Se\n0.609707 0.605381 0.848504 Se\n0.390293 0.105381 0.848504 Se\n0.109707 0.605381 0.651496 Se\n0.109707 0.894619 0.348504 Se\n0.390293 0.394619 0.151496 Se\n0.044690 0.750000 0.000000 Se\n0.455310 0.250000 0.500000 Se\n0.955310 0.250000 0.000000 Se\n0.544690 0.750000 0.500000 Se\n",
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"elements": [
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"density": 7.7927979191688586,
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"volume": 377.32568330765764,
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"formula_full": "Rh8 Se12",
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"spacegroup": 60
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{
"id": "mp-22442",
"created_at": "2022-09-04T14:45:19.274768Z",
"structure_string": "Ba2 Na1 Os1 O6\n1.0\n0.000000 4.198706 4.198706\n4.198706 0.000000 4.198706\n4.198706 4.198706 0.000000\nBa Na Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Os\n0.772886 0.227114 0.772886 O\n0.227114 0.227114 0.772886 O\n0.772886 0.772886 0.227114 O\n0.772886 0.227114 0.227114 O\n0.227114 0.772886 0.227114 O\n0.227114 0.772886 0.772886 O\n",
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"density": 6.549211138369004,
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"volume": 148.03908523145373,
"volume_molar": 8.915122092454515,
"formula_full": "Ba2 Na1 Os1 O6",
"formula_reduced": "Ba2NaOsO6",
"formula_anonymous": "ABC2D6",
"energy": -69.95648841,
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{
"id": "mp-1019796",
"created_at": "2022-09-04T14:45:19.285548Z",
"structure_string": "K8 P4 O14\n1.0\n3.002800 -5.201001 0.000000\n3.002800 5.201001 0.000000\n0.000000 0.000000 15.108030\nK P O\n8 4 14\ndirect\n0.333333 0.666667 0.915886 K\n0.666667 0.333333 0.084114 K\n0.666667 0.333333 0.415886 K\n0.333333 0.666667 0.584114 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.142817 P\n0.666667 0.333333 0.857183 P\n0.666667 0.333333 0.642817 P\n0.333333 0.666667 0.357183 P\n0.191531 0.808469 0.114817 O\n0.191531 0.383062 0.114817 O\n0.616938 0.808469 0.114817 O\n0.808469 0.191531 0.885183 O\n0.808469 0.616938 0.885183 O\n0.383062 0.191531 0.885183 O\n0.808469 0.191531 0.614817 O\n0.808469 0.616938 0.614817 O\n0.383062 0.191531 0.614817 O\n0.191531 0.808469 0.385183 O\n0.191531 0.383062 0.385183 O\n0.616938 0.808469 0.385183 O\n0.333333 0.666667 0.250000 O\n0.666667 0.333333 0.750000 O\n",
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"formula_full": "K8 P4 O14",
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{
"id": "mp-19947",
"created_at": "2022-09-04T14:45:19.288477Z",
"structure_string": "Pu4 Sn2 Pt4\n1.0\n7.688834 0.000000 0.000000\n0.000000 7.688834 0.000000\n0.000000 0.000000 3.654042\nPu Sn Pt\n4 2 4\ndirect\n0.329302 0.829302 0.500000 Pu\n0.829302 0.670698 0.500000 Pu\n0.170698 0.329302 0.500000 Pu\n0.670698 0.170698 0.500000 Pu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.131420 0.631420 0.000000 Pt\n0.631420 0.868580 0.000000 Pt\n0.868580 0.368580 0.000000 Pt\n0.368580 0.131420 0.000000 Pt\n",
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{
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"structure_string": "Cr4 In4 O12\n1.0\n5.247183 0.000111 -0.000003\n0.000114 5.450137 0.000005\n-0.000005 0.000007 7.729873\nCr In O\n4 4 12\ndirect\n0.500006 0.000012 0.000005 Cr\n0.500018 0.999995 0.499997 Cr\n0.000009 0.500001 0.000012 Cr\n0.999993 0.499991 0.499992 Cr\n0.022749 0.938932 0.750000 In\n0.477237 0.438948 0.750000 In\n0.522738 0.561073 0.250000 In\n0.977254 0.061064 0.250000 In\n0.127884 0.441572 0.249997 O\n0.372079 0.941559 0.250002 O\n0.627927 0.058442 0.750001 O\n0.872113 0.558426 0.749998 O\n0.194450 0.197844 0.568781 O\n0.194445 0.197851 0.931216 O\n0.305488 0.697806 0.568789 O\n0.305479 0.697804 0.931212 O\n0.694512 0.302193 0.068787 O\n0.694515 0.302188 0.431211 O\n0.805551 0.802151 0.068780 O\n0.805555 0.802149 0.431220 O\n",
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{
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"structure_string": "Li2 Si6 Bi2 O16\n1.0\n7.175041 0.000000 0.000000\n-1.248093 7.380760 0.000000\n-2.248844 -3.450648 6.586369\nLi Si Bi O\n2 6 2 16\ndirect\n0.813054 0.193580 0.841617 Li\n0.333261 0.582652 0.826467 Li\n0.659068 0.410353 0.171806 Si\n0.629670 0.207153 0.442379 Si\n0.767116 0.827703 0.186573 Si\n0.215713 0.836028 0.188921 Si\n0.217361 0.151499 0.785280 Si\n0.376975 0.790608 0.555308 Si\n0.116892 0.278211 0.357068 Bi\n0.831600 0.729441 0.749499 Bi\n0.843141 0.324890 0.133004 O\n0.743253 0.047073 0.328362 O\n0.438926 0.305798 0.980199 O\n0.379809 0.074692 0.325048 O\n0.013029 0.895214 0.227686 O\n0.635530 0.389486 0.369802 O\n0.720618 0.662599 0.267430 O\n0.727507 0.331524 0.681572 O\n0.292480 0.706814 0.305401 O\n0.169573 0.281251 0.656929 O\n0.305723 0.584098 0.575914 O\n0.042627 0.080839 0.862630 O\n0.623017 0.897021 0.659314 O\n0.647369 0.738821 0.945278 O\n0.252862 0.941430 0.644437 O\n0.167628 0.730620 0.952872 O\n",
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{
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"structure_string": "Dy1 V2 Fe10 N1\n1.0\n0.000000 0.000000 4.740963\n-4.290626 4.258151 2.370482\n-4.290626 -4.258151 -2.370482\nDy V Fe N\n1 2 10 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.358667 0.358667 V\n0.000000 0.641333 0.641333 V\n0.724666 0.775334 0.224666 Fe\n0.275334 0.224666 0.775334 Fe\n0.500000 0.776867 0.776867 Fe\n0.500000 0.223133 0.223133 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.639696 0.360304 0.639696 Fe\n0.360304 0.639696 0.360304 Fe\n0.500000 0.000000 0.000000 N\n",
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{
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},
{
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]
}