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{
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"results": [
{
"id": "mp-1020609",
"created_at": "2022-09-04T14:48:08.596871Z",
"structure_string": "Zn8 Si4 O16\n1.0\n4.849697 0.000000 0.000000\n0.000000 6.099106 0.000000\n0.000000 0.000000 10.437847\nZn Si O\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.485002 0.750000 0.779961 Zn\n0.014998 0.750000 0.279961 Zn\n0.514998 0.250000 0.220039 Zn\n0.985002 0.250000 0.720039 Zn\n0.926001 0.750000 0.596060 Si\n0.573999 0.750000 0.096060 Si\n0.073999 0.250000 0.403940 Si\n0.426001 0.250000 0.903940 Si\n0.263886 0.750000 0.593675 O\n0.236114 0.750000 0.093675 O\n0.736114 0.250000 0.406325 O\n0.763886 0.250000 0.906325 O\n0.716133 0.750000 0.948985 O\n0.783867 0.750000 0.448985 O\n0.283867 0.250000 0.051015 O\n0.216133 0.250000 0.551015 O\n0.779833 0.966264 0.664394 O\n0.720167 0.533736 0.164394 O\n0.220167 0.466264 0.335606 O\n0.279833 0.033736 0.835606 O\n0.220167 0.033736 0.335606 O\n0.279833 0.466264 0.835606 O\n0.779833 0.533736 0.664394 O\n0.720167 0.966264 0.164394 O\n",
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{
"id": "mp-1073903",
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"structure_string": "Mg12 Si10\n1.0\n4.192658 0.000000 0.000000\n-0.059827 7.075245 0.000000\n-0.019690 -1.994570 14.198369\nMg Si\n12 10\ndirect\n0.407663 0.614483 0.050294 Mg\n0.425702 0.233009 0.455802 Mg\n0.907919 0.708883 0.711938 Mg\n0.414920 0.032494 0.219280 Mg\n0.419547 0.536495 0.290816 Mg\n0.395967 0.459215 0.802819 Mg\n0.937889 0.986122 0.550553 Mg\n0.916675 0.549754 0.480743 Mg\n0.912149 0.357071 0.154021 Mg\n0.415588 0.923974 0.877422 Mg\n0.905996 0.307909 0.940122 Mg\n0.910637 0.948802 0.046737 Mg\n0.418867 0.836151 0.425966 Si\n0.416372 0.720703 0.581444 Si\n0.907915 0.667169 0.901660 Si\n0.907154 0.740397 0.189355 Si\n0.919283 0.267698 0.329709 Si\n0.734224 0.321766 0.644414 Si\n0.951432 0.130833 0.765145 Si\n0.917930 0.925074 0.345804 Si\n0.412293 0.204031 0.045694 Si\n0.447410 0.024274 0.686738 Si\n",
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"elements": [
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"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
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},
{
"id": "mp-567334",
"created_at": "2022-09-04T14:48:08.603928Z",
"structure_string": "Ag8 B48 Cl48\n1.0\n12.608983 0.000000 0.000000\n0.000000 12.608983 0.000000\n0.000000 0.000000 12.608983\nAg B Cl\n8 48 48\ndirect\n0.632898 0.632898 0.632898 Ag\n0.632898 0.867102 0.132898 Ag\n0.132898 0.867102 0.367102 Ag\n0.867102 0.367102 0.132898 Ag\n0.367102 0.367102 0.367102 Ag\n0.132898 0.632898 0.867102 Ag\n0.867102 0.132898 0.632898 Ag\n0.367102 0.132898 0.867102 Ag\n0.906915 0.071880 0.065259 B\n0.129483 0.472852 0.530420 B\n0.428120 0.565259 0.906915 B\n0.071880 0.065259 0.906915 B\n0.406915 0.071880 0.434741 B\n0.593085 0.928120 0.565259 B\n0.027148 0.030420 0.129483 B\n0.030420 0.129483 0.027148 B\n0.571880 0.065259 0.593085 B\n0.472852 0.530420 0.129483 B\n0.928120 0.565259 0.593085 B\n0.428120 0.934741 0.406915 B\n0.469580 0.629483 0.027148 B\n0.469580 0.870517 0.527148 B\n0.934741 0.406915 0.428120 B\n0.093085 0.928120 0.934741 B\n0.065259 0.593085 0.571880 B\n0.071880 0.434741 0.406915 B\n0.093085 0.571880 0.434741 B\n0.629483 0.027148 0.469580 B\n0.530420 0.370517 0.972852 B\n0.065259 0.906915 0.071880 B\n0.527148 0.030420 0.370517 B\n0.906915 0.428120 0.565259 B\n0.030420 0.370517 0.527148 B\n0.928120 0.934741 0.093085 B\n0.629483 0.472852 0.969580 B\n0.972852 0.530420 0.370517 B\n0.870517 0.527148 0.469580 B\n0.406915 0.428120 0.934741 B\n0.027148 0.469580 0.629483 B\n0.593085 0.571880 0.065259 B\n0.565259 0.593085 0.928120 B\n0.434741 0.406915 0.071880 B\n0.565259 0.906915 0.428120 B\n0.972852 0.969580 0.870517 B\n0.370517 0.527148 0.030420 B\n0.969580 0.629483 0.472852 B\n0.527148 0.469580 0.870517 B\n0.434741 0.093085 0.571880 B\n0.969580 0.870517 0.972852 B\n0.129483 0.027148 0.030420 B\n0.870517 0.972852 0.969580 B\n0.571880 0.434741 0.093085 B\n0.934741 0.093085 0.928120 B\n0.370517 0.972852 0.530420 B\n0.530420 0.129483 0.472852 B\n0.472852 0.969580 0.629483 B\n0.806571 0.147562 0.131281 Cl\n0.732595 0.553335 0.443046 Cl\n0.647562 0.368719 0.193429 Cl\n0.056954 0.232595 0.553335 Cl\n0.946665 0.556954 0.232595 Cl\n0.553335 0.443046 0.732595 Cl\n0.556954 0.232595 0.946665 Cl\n0.056954 0.267405 0.053335 Cl\n0.443046 0.732595 0.553335 Cl\n0.943046 0.767405 0.446665 Cl\n0.193429 0.647562 0.368719 Cl\n0.852438 0.868719 0.193429 Cl\n0.446665 0.556954 0.267405 Cl\n0.053335 0.443046 0.767405 Cl\n0.446665 0.943046 0.767405 Cl\n0.946665 0.943046 0.732595 Cl\n0.368719 0.306571 0.147562 Cl\n0.131281 0.693429 0.647562 Cl\n0.131281 0.806571 0.147562 Cl\n0.631281 0.693429 0.852438 Cl\n0.352438 0.631281 0.806571 Cl\n0.306571 0.147562 0.368719 Cl\n0.232595 0.946665 0.556954 Cl\n0.693429 0.647562 0.131281 Cl\n0.147562 0.368719 0.306571 Cl\n0.352438 0.868719 0.306571 Cl\n0.443046 0.767405 0.053335 Cl\n0.852438 0.631281 0.693429 Cl\n0.553335 0.056954 0.232595 Cl\n0.647562 0.131281 0.693429 Cl\n0.868719 0.193429 0.852438 Cl\n0.267405 0.053335 0.056954 Cl\n0.306571 0.352438 0.868719 Cl\n0.193429 0.852438 0.868719 Cl\n0.693429 0.852438 0.631281 Cl\n0.267405 0.446665 0.556954 Cl\n0.631281 0.806571 0.352438 Cl\n0.868719 0.306571 0.352438 Cl\n0.368719 0.193429 0.647562 Cl\n0.943046 0.732595 0.946665 Cl\n0.053335 0.056954 0.267405 Cl\n0.806571 0.352438 0.631281 Cl\n0.147562 0.131281 0.806571 Cl\n0.767405 0.053335 0.443046 Cl\n0.767405 0.446665 0.943046 Cl\n0.556954 0.267405 0.446665 Cl\n0.232595 0.553335 0.056954 Cl\n0.732595 0.946665 0.943046 Cl\n",
"nsites": 104,
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"elements": [
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"B",
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],
"chemical_system": "Ag-B-Cl",
"density": 2.5542854862403708,
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"volume": 2004.657474209001,
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"formula_full": "Ag8 B48 Cl48",
"formula_reduced": "Ag(BCl)6",
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"energy": -531.17880507,
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"spacegroup": 205
},
{
"id": "mp-1218000",
"created_at": "2022-09-04T14:48:08.610733Z",
"structure_string": "Ta4 C3\n1.0\n10.294196 -1.567567 0.000000\n10.294196 1.567567 0.000000\n10.055492 0.000000 2.704592\nTa C\n4 3\ndirect\n0.626581 0.626581 0.626581 Ta\n0.375318 0.375318 0.375318 Ta\n0.790403 0.790403 0.790403 Ta\n0.205680 0.205680 0.205680 Ta\n0.497497 0.497497 0.497497 C\n0.004063 0.004063 0.004063 C\n0.915458 0.915458 0.915458 C\n",
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"density": 14.454783374784435,
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"volume": 87.28714723850014,
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"formula_full": "Ta4 C3",
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"spacegroup": 160
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{
"id": "mp-971744",
"created_at": "2022-09-04T14:48:08.613305Z",
"structure_string": "Zn1 Co3\n1.0\n0.000000 2.844629 2.844629\n2.844629 0.000000 2.844629\n2.844629 2.844629 0.000000\nZn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Co\n",
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{
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"structure_string": "Rb2 In1 As1 I6\n1.0\n0.000000 6.083502 6.083502\n6.083502 0.000000 6.083502\n6.083502 6.083502 0.000000\nRb In As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.761277 0.238723 0.238723 I\n0.238723 0.238723 0.761277 I\n0.238723 0.761277 0.761277 I\n0.238723 0.761277 0.238723 I\n0.761277 0.238723 0.761277 I\n0.761277 0.761277 0.238723 I\n",
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{
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"structure_string": "V2 P2 H12 C4 N6 O14\n1.0\n6.272228 0.000000 0.000000\n1.653344 8.135978 0.000000\n3.008767 2.885100 8.161779\nV P H C N O\n2 2 12 4 6 14\ndirect\n0.663098 0.573557 0.153598 V\n0.336902 0.426443 0.846402 V\n0.172321 0.652385 0.091353 P\n0.827679 0.347615 0.908647 P\n0.702893 0.836025 0.708406 H\n0.297107 0.163975 0.291594 H\n0.935377 0.976495 0.207903 H\n0.064623 0.023505 0.792097 H\n0.970015 0.685411 0.375417 H\n0.029985 0.314589 0.624583 H\n0.655388 0.052639 0.590793 H\n0.344612 0.947361 0.409207 H\n0.892245 0.631238 0.588449 H\n0.107755 0.368762 0.411551 H\n0.778410 0.131249 0.300156 H\n0.221590 0.868751 0.699844 H\n0.525991 0.400350 0.521653 C\n0.474009 0.599650 0.478347 C\n0.829896 0.888605 0.459995 C\n0.170104 0.111395 0.540005 C\n0.721434 0.928775 0.596350 N\n0.278566 0.071225 0.403650 N\n0.922246 0.723871 0.475508 N\n0.077754 0.276129 0.524492 N\n0.850106 0.007232 0.312255 N\n0.149894 0.992768 0.687745 N\n0.613371 0.340909 0.405894 O\n0.386629 0.659091 0.594106 O\n0.350078 0.539007 0.186853 O\n0.649922 0.460993 0.813147 O\n0.944083 0.566487 0.204960 O\n0.055917 0.433513 0.795040 O\n0.231781 0.611330 0.926073 O\n0.768219 0.388670 0.073927 O\n0.475925 0.308905 0.673398 O\n0.524075 0.691095 0.326602 O\n0.693022 0.740740 0.989897 O\n0.306978 0.259260 0.010103 O\n0.158653 0.842328 0.060118 O\n0.841347 0.157672 0.939882 O\n",
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{
"id": "mp-1196159",
"created_at": "2022-09-04T14:48:08.612520Z",
"structure_string": "Tm10 Co8 Si28\n1.0\n7.790310 0.000000 0.000000\n0.000000 7.712230 0.000000\n0.000000 1.889644 12.175158\nTm Co Si\n10 8 28\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.251756 0.157693 0.864934 Tm\n0.751756 0.342307 0.135066 Tm\n0.748244 0.842307 0.135066 Tm\n0.248244 0.657693 0.864934 Tm\n0.248941 0.839715 0.134834 Tm\n0.748941 0.660285 0.865166 Tm\n0.751059 0.160285 0.865166 Tm\n0.251059 0.339715 0.134834 Tm\n0.373735 0.872694 0.499768 Co\n0.873735 0.627306 0.500232 Co\n0.626265 0.127306 0.500232 Co\n0.126265 0.372694 0.499768 Co\n0.999804 0.938988 0.749959 Co\n0.499804 0.561012 0.250041 Co\n0.000196 0.061012 0.250041 Co\n0.500196 0.438988 0.749959 Co\n0.666220 0.834042 0.499485 Si\n0.166220 0.665958 0.500515 Si\n0.333780 0.165958 0.500515 Si\n0.833780 0.334042 0.499485 Si\n0.725815 0.961299 0.678406 Si\n0.225815 0.538701 0.321594 Si\n0.274185 0.038701 0.321594 Si\n0.774185 0.461299 0.678406 Si\n0.994578 0.768579 0.321815 Si\n0.494578 0.731421 0.678185 Si\n0.005422 0.231421 0.678185 Si\n0.505422 0.268579 0.321815 Si\n0.273925 0.950049 0.678290 Si\n0.773925 0.549951 0.321710 Si\n0.726075 0.049951 0.321710 Si\n0.226075 0.450049 0.678290 Si\n0.994397 0.681313 0.678668 Si\n0.494397 0.818687 0.321332 Si\n0.005603 0.318687 0.321332 Si\n0.505603 0.181313 0.678668 Si\n0.499872 0.889005 0.940245 Si\n0.999872 0.610995 0.059755 Si\n0.500128 0.110995 0.059755 Si\n0.000128 0.389005 0.940245 Si\n0.000708 0.890559 0.940314 Si\n0.500708 0.609441 0.059686 Si\n0.999292 0.109441 0.059686 Si\n0.499292 0.390559 0.940314 Si\n",
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