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{
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{
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{
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"structure_string": "Zn1 Cu4 Sn2 Se8\n1.0\n2.853931 6.353540 0.000000\n-2.853931 6.353540 0.000000\n0.000000 5.100135 10.198605\nZn Cu Sn Se\n1 4 2 8\ndirect\n0.001008 0.998992 0.500000 Zn\n0.764445 0.741966 0.370407 Cu\n0.738080 0.754454 0.880896 Cu\n0.245546 0.261920 0.119104 Cu\n0.258034 0.235555 0.629593 Cu\n0.502975 0.496655 0.241972 Sn\n0.503345 0.497025 0.758028 Sn\n0.378797 0.890659 0.310793 Se\n0.365840 0.897870 0.817015 Se\n0.627252 0.103251 0.445388 Se\n0.636567 0.101933 0.949163 Se\n0.102130 0.634160 0.182985 Se\n0.109341 0.621203 0.689207 Se\n0.898067 0.363433 0.050837 Se\n0.896749 0.372748 0.554612 Se\n",
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{
"id": "mp-1215596",
"created_at": "2022-09-04T14:41:58.695217Z",
"structure_string": "Yb2 Y2 Al12\n1.0\n3.040485 -5.266275 0.000000\n3.040485 5.266275 0.000000\n0.000000 0.000000 9.748022\nYb Y Al\n2 2 12\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n0.822167 0.644335 0.250000 Al\n0.355665 0.177833 0.250000 Al\n0.822167 0.177833 0.250000 Al\n0.177833 0.355665 0.750000 Al\n0.644335 0.822167 0.750000 Al\n0.177833 0.822167 0.750000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n",
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"formula_full": "Yb2 Y2 Al12",
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"spacegroup": 194
},
{
"id": "mp-1206468",
"created_at": "2022-09-04T14:46:05.744593Z",
"structure_string": "Sm1 In5 Rh1\n1.0\n4.698187 0.000000 0.000000\n0.000000 4.698187 0.000000\n0.000000 0.000000 7.574270\nSm In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.302786 In\n0.000000 0.500000 0.697214 In\n0.500000 0.000000 0.302786 In\n0.500000 0.000000 0.697214 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Rh\n",
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"formula_anonymous": "ABC5",
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"updated_at": "2021-11-28T01:37:23.407000Z",
"spacegroup": 123
},
{
"id": "mp-1220845",
"created_at": "2022-09-04T14:39:12.701024Z",
"structure_string": "Na9 Sm1 Ge4 Se12\n1.0\n6.215508 7.156793 0.000000\n-6.215508 7.156793 0.000000\n0.000000 2.119317 7.727553\nNa Sm Ge Se\n9 1 4 12\ndirect\n0.653846 0.848193 0.747576 Na\n0.151807 0.346154 0.252424 Na\n0.343137 0.150549 0.752481 Na\n0.849451 0.656863 0.247519 Na\n0.003339 0.501644 0.746938 Na\n0.498356 0.996661 0.253062 Na\n0.072580 0.927420 0.500000 Na\n0.932009 0.067991 0.000000 Na\n0.425376 0.574624 0.500000 Na\n0.572028 0.427972 0.000000 Sm\n0.273814 0.779897 0.133190 Ge\n0.783914 0.278841 0.630342 Ge\n0.220103 0.726186 0.866810 Ge\n0.721159 0.216086 0.369658 Ge\n0.138215 0.634520 0.370410 Se\n0.633158 0.147105 0.873648 Se\n0.365480 0.861785 0.629590 Se\n0.852895 0.366842 0.126352 Se\n0.535492 0.709470 0.116822 Se\n0.034548 0.218863 0.623985 Se\n0.222232 0.034248 0.124065 Se\n0.712122 0.532479 0.637961 Se\n0.965752 0.777768 0.875935 Se\n0.467521 0.287878 0.362039 Se\n0.290530 0.464508 0.883178 Se\n0.781137 0.965452 0.376015 Se\n",
"nsites": 26,
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"elements": [
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],
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"updated_at": "2021-11-28T01:34:33.315000Z",
"spacegroup": 5
},
{
"id": "mp-1113660",
"created_at": "2022-09-04T14:46:37.228863Z",
"structure_string": "Rb2 Nd1 Au1 Cl6\n1.0\n0.000000 5.480949 5.480949\n5.480949 0.000000 5.480949\n5.480949 5.480949 0.000000\nRb Nd Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Au\n0.751261 0.248739 0.248739 Cl\n0.248739 0.248739 0.751261 Cl\n0.248739 0.751261 0.751261 Cl\n0.248739 0.751261 0.248739 Cl\n0.751261 0.248739 0.751261 Cl\n0.751261 0.751261 0.248739 Cl\n",
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],
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"volume": 329.3042067110702,
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"formula_full": "Rb2 Nd1 Au1 Cl6",
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"spacegroup": 225
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{
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"structure_string": "Zn2 In1 N2\n1.0\n3.493888 -0.000399 -0.002996\n-1.747290 3.026395 0.000000\n-0.005487 -0.003167 6.419771\nZn In N\n2 1 2\ndirect\n0.666586 0.333294 0.143191 Zn\n0.333414 0.666706 0.856809 Zn\n0.000000 0.000000 0.500000 In\n0.666506 0.333253 0.780158 N\n0.333494 0.666747 0.219842 N\n",
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{
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K\n0.568153 0.626986 0.998906 K\n0.953716 0.790639 0.957093 K\n0.259557 0.431096 0.456022 K\n0.609729 0.172299 0.165308 K\n0.476674 0.300342 0.289791 K\n0.456156 0.282147 0.619827 K\n0.595784 0.665294 0.667690 K\n0.072393 0.138853 0.000313 K\n0.658482 0.090869 0.335441 K\n0.173124 0.608311 0.331799 K\n0.129933 0.568917 0.001188 K\n0.606180 0.667530 0.333452 K\n0.968524 0.807504 0.290805 K\n0.938585 0.783854 0.619041 K\n0.782109 0.463617 0.043598 K\n0.673668 0.111281 0.669669 K\n0.608311 0.173124 0.831799 K\n0.090869 0.658482 0.835441 K\n0.431096 0.259557 0.956022 K\n0.104424 0.165226 0.666695 K\n0.438298 0.272440 0.094825 Co\n0.774941 0.442279 0.905669 Co\n0.290076 0.953082 0.572501 Co\n0.789264 0.464591 0.572068 Co\n0.272440 0.438298 0.594825 Co\n0.802656 0.464912 0.242487 Co\n0.464912 0.802656 0.742487 Co\n0.297669 0.968165 0.240384 Co\n0.287240 0.462672 0.927175 Co\n0.462672 0.287240 0.427175 Co\n0.947338 0.779108 0.096343 Co\n0.953082 0.290076 0.072501 Co\n0.968165 0.297669 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