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{
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{
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"created_at": "2022-09-04T14:46:53.404179Z",
"structure_string": "K3 Ho1 Cl6\n1.0\n0.000000 5.579876 5.579876\n5.579876 0.000000 5.579876\n5.579876 5.579876 0.000000\nK Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ho\n0.765196 0.234804 0.234804 Cl\n0.234804 0.765196 0.765196 Cl\n0.234804 0.765196 0.234804 Cl\n0.765196 0.234804 0.765196 Cl\n0.234804 0.234804 0.765196 Cl\n0.765196 0.765196 0.234804 Cl\n",
"nsites": 10,
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"formula_full": "K3 Ho1 Cl6",
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"energy": -43.28057426999999,
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{
"id": "mp-1065577",
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"structure_string": "Mg2 O2\n1.0\n1.762344 -3.052470 0.000000\n1.762344 3.052470 0.000000\n0.000000 0.000000 4.231065\nMg O\n2 2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.750000 O\n0.666667 0.333333 0.250000 O\n",
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"spacegroup": 194
},
{
"id": "mp-1386832",
"created_at": "2022-09-04T14:46:53.994567Z",
"structure_string": "Te2 W2 O12\n1.0\n5.336169 0.000000 0.000000\n0.000000 5.179049 0.000000\n0.000000 5.177384 7.443465\nTe W O\n2 2 12\ndirect\n0.000000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.297313 0.750002 0.549898 O\n0.797313 0.249998 0.950102 O\n0.702687 0.249998 0.450102 O\n0.202687 0.750002 0.049898 O\n0.202652 0.351104 0.451105 O\n0.702652 0.648896 0.048895 O\n0.797348 0.648896 0.548895 O\n0.297348 0.351104 0.951105 O\n0.483187 0.151606 0.749337 O\n0.983187 0.848394 0.750663 O\n0.016813 0.151606 0.249337 O\n0.516813 0.848394 0.250663 O\n",
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"elements": [
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"density": 6.577853138236186,
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"formula_full": "Te2 W2 O12",
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{
"id": "mp-1214729",
"created_at": "2022-09-04T14:46:53.660039Z",
"structure_string": "Ba4 H8 S16 O24\n1.0\n9.784105 0.000000 0.000000\n0.000000 5.791780 0.000000\n0.000000 1.757136 18.358431\nBa H S O\n4 8 16 24\ndirect\n0.409303 0.743003 0.139244 Ba\n0.590697 0.256997 0.860756 Ba\n0.909303 0.256997 0.360756 Ba\n0.090697 0.743003 0.639244 Ba\n0.627481 0.482775 0.339623 H\n0.372519 0.517225 0.660377 H\n0.127481 0.517225 0.160377 H\n0.872519 0.482775 0.839623 H\n0.555715 0.249340 0.128677 H\n0.444285 0.750660 0.871323 H\n0.055715 0.750660 0.371323 H\n0.944285 0.249340 0.628677 H\n0.898788 0.682669 0.053863 S\n0.101212 0.317331 0.946137 S\n0.398788 0.317331 0.446137 S\n0.601212 0.682669 0.553863 S\n0.799305 0.801533 0.218703 S\n0.200695 0.198467 0.781297 S\n0.299305 0.198467 0.281297 S\n0.700695 0.801533 0.718703 S\n0.898466 0.940203 0.118943 S\n0.101534 0.059797 0.881057 S\n0.398466 0.059797 0.381057 S\n0.601534 0.940203 0.618943 S\n0.790626 0.723189 0.491610 S\n0.209374 0.276811 0.508390 S\n0.290626 0.276811 0.008390 S\n0.709374 0.723189 0.991610 S\n0.765041 0.880771 0.425501 O\n0.234959 0.119229 0.574499 O\n0.265041 0.119229 0.074499 O\n0.734959 0.880771 0.925501 O\n0.799937 0.014291 0.256372 O\n0.200063 0.985709 0.743628 O\n0.299937 0.985709 0.243628 O\n0.700063 0.014291 0.756372 O\n0.885492 0.615264 0.253909 O\n0.114508 0.384736 0.746091 O\n0.385492 0.384736 0.246091 O\n0.614508 0.615264 0.753909 O\n0.815383 0.482596 0.475671 O\n0.184617 0.517404 0.524329 O\n0.315383 0.517404 0.024329 O\n0.684617 0.482596 0.975671 O\n0.662490 0.720218 0.201001 O\n0.337510 0.279782 0.798999 O\n0.162490 0.279782 0.298999 O\n0.837510 0.720218 0.701001 O\n0.607620 0.816180 0.039394 O\n0.392380 0.183820 0.960606 O\n0.107620 0.183820 0.460606 O\n0.892380 0.816180 0.539394 O\n",
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"formula_full": "Ba4 H8 S16 O24",
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"spacegroup": 14
},
{
"id": "mp-729644",
"created_at": "2022-09-04T14:47:07.542814Z",
"structure_string": "Cs4 Mn4 H96 S8 O80\n1.0\n12.372092 0.000000 0.000000\n0.000000 12.429677 0.000000\n0.000000 0.000000 12.538307\nCs Mn H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.229341 0.514896 0.227381 H\n0.770659 0.014896 0.272619 H\n0.270659 0.485104 0.727381 H\n0.729341 0.985104 0.772619 H\n0.770659 0.485104 0.772619 H\n0.229341 0.985104 0.727381 H\n0.729341 0.514896 0.272619 H\n0.270659 0.014896 0.227381 H\n0.191695 0.633401 0.214687 H\n0.808305 0.133401 0.285313 H\n0.308305 0.366599 0.714687 H\n0.691695 0.866599 0.785313 H\n0.808305 0.366599 0.785313 H\n0.191695 0.866599 0.714687 H\n0.691695 0.633401 0.285313 H\n0.308305 0.133401 0.214687 H\n0.269081 0.785077 0.011762 H\n0.730919 0.285077 0.488238 H\n0.230919 0.214923 0.511762 H\n0.769081 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"formula_full": "Cs4 Mn4 H96 S8 O80",
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{
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