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{
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"results": [
{
"id": "mp-1206359",
"created_at": "2022-09-04T14:40:57.001824Z",
"structure_string": "Er2 Si3 Pt3\n1.0\n2.871271 0.000000 0.000000\n0.000000 2.871271 0.000000\n0.000000 0.000000 20.178050\nEr Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.753688 Er\n0.500000 0.500000 0.246312 Er\n0.500000 0.500000 0.383993 Si\n0.500000 0.500000 0.616007 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.113249 Pt\n0.500000 0.500000 0.886751 Pt\n0.500000 0.500000 0.500000 Pt\n",
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"Si",
"Pt"
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"volume": 166.35182241234628,
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"formula_full": "Er2 Si3 Pt3",
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},
{
"id": "mp-1226501",
"created_at": "2022-09-04T14:47:13.778971Z",
"structure_string": "Ce1 Sc1 Pd6\n1.0\n4.092485 0.000000 0.000000\n0.000000 4.092485 0.000000\n0.000000 0.000000 8.147288\nCe Sc Pd\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.256070 Pd\n0.500000 0.000000 0.743930 Pd\n0.000000 0.500000 0.256070 Pd\n0.000000 0.500000 0.743930 Pd\n",
"nsites": 8,
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"density": 10.022450255127481,
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"formula_full": "Ce1 Sc1 Pd6",
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},
{
"id": "mp-1184628",
"created_at": "2022-09-04T14:47:17.998657Z",
"structure_string": "Ho2 Tl1 Zn1\n1.0\n0.000000 3.676026 3.676026\n3.676026 0.000000 3.676026\n3.676026 3.676026 0.000000\nHo Tl Zn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ho\n0.250000 0.250000 0.250000 Ho\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
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"density": 10.022668027396314,
"density_atomic": 0.04026190060710154,
"volume": 99.34950759116587,
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"formula_full": "Ho2 Tl1 Zn1",
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"spacegroup": 225
},
{
"id": "mp-685698",
"created_at": "2022-09-04T14:43:47.988224Z",
"structure_string": "Re32 Pb32 O108\n1.0\n6.483094 -0.000015 3.743017\n2.161012 6.112275 3.743026\n0.011335 0.008101 59.868646\nRe Pb O\n32 32 108\ndirect\n0.500628 0.500606 0.999765 Re\n0.500253 0.500224 0.062459 Re\n0.499723 0.499725 0.125101 Re\n0.499487 0.000098 0.187616 Re\n0.500224 0.999876 0.062459 Re\n0.999855 0.500215 0.062461 Re\n0.499475 0.499468 0.187618 Re\n0.500231 -0.000098 0.312456 Re\n0.500076 0.500032 0.249982 Re\n0.000102 0.499476 0.187619 Re\n0.500211 0.500229 0.312457 Re\n0.500000 0.500027 0.374994 Re\n-0.000094 0.500225 0.312455 Re\n0.498448 0.498433 0.437989 Re\n0.498452 0.999208 0.437989 Re\n0.499776 -0.000540 0.562622 Re\n0.499380 0.499369 0.500231 Re\n0.999191 0.498452 0.437990 Re\n0.499785 0.499778 0.562622 Re\n0.500058 0.500057 0.624981 Re\n-0.000544 0.499778 0.562622 Re\n0.500097 0.500107 0.687494 Re\n0.499887 -0.000055 0.812532 Re\n0.499836 0.499872 0.750052 Re\n0.500098 -0.000143 0.687491 Re\n-0.000140 0.500095 0.687493 Re\n0.499893 0.499913 0.812530 Re\n0.500382 0.500353 0.874861 Re\n0.501436 0.000848 0.937036 Re\n-0.000042 0.499897 0.812531 Re\n0.501410 0.501419 0.937041 Re\n0.000843 0.501427 0.937040 Re\n0.001097 0.001115 0.000305 Pb\n0.001112 0.495363 0.000303 Pb\n0.495335 0.001123 0.000305 Pb\n0.001985 0.002015 0.125309 Pb\n0.001566 0.001634 0.061899 Pb\n0.493505 0.002024 0.125307 Pb\n0.002169 0.002124 0.250231 Pb\n0.493875 0.002139 0.250229 Pb\n0.002315 0.002336 0.186625 Pb\n0.002000 0.493515 0.125308 Pb\n0.006336 0.006355 0.435124 Pb\n0.494995 -0.000155 0.375662 Pb\n-0.002424 -0.002420 0.500546 Pb\n0.002121 0.002129 0.311699 Pb\n0.002148 0.493903 0.250228 Pb\n0.998539 0.998558 0.563047 Pb\n-0.002400 0.500460 0.500548 Pb\n-0.000164 -0.000146 0.375666 Pb\n0.500450 -0.002397 0.500549 Pb\n-0.000157 0.495001 0.375663 Pb\n0.499749 0.000115 0.624997 Pb\n0.000674 0.000558 0.812269 Pb\n0.000172 0.000148 0.624996 Pb\n0.500238 0.999755 0.750052 Pb\n0.001662 0.001668 0.874404 Pb\n0.000142 0.499765 0.624994 Pb\n0.999830 0.999485 0.750033 Pb\n0.501428 0.001662 0.874401 Pb\n0.999690 0.500351 0.750033 Pb\n0.999892 0.999734 0.687584 Pb\n0.001684 0.501462 0.874401 Pb\n0.001068 0.001072 0.937100 Pb\n0.183730 0.566787 0.022837 O\n0.183172 0.183176 0.070738 O\n0.566772 0.183732 0.022838 O\n0.183167 0.567751 0.070739 O\n0.566785 0.566776 0.022838 O\n0.567750 0.183173 0.070738 O\n0.433676 0.433675 0.102022 O\n0.433800 0.813893 0.054802 O\n0.183244 0.183242 0.195844 O\n0.181728 0.567839 0.147824 O\n0.813893 0.433782 0.054803 O\n0.433678 0.816477 0.102021 O\n0.183243 0.566775 0.195842 O\n0.567848 0.181730 0.147822 O\n0.816481 0.433670 0.102023 O\n0.813888 0.813897 0.054803 O\n0.566792 0.183223 0.195845 O\n0.567849 0.567834 0.147823 O\n0.435669 0.435685 0.226808 O\n0.182577 0.182569 0.320856 O\n0.434715 0.815883 0.179191 O\n0.183399 0.566570 0.272934 O\n0.815875 0.434736 0.179190 O\n0.875525 0.875529 0.109175 O\n0.435674 0.814178 0.226809 O\n0.566535 0.183415 0.272938 O\n0.182557 0.568021 0.320858 O\n0.814162 0.435700 0.226804 O\n0.815874 0.815875 0.179189 O\n0.567999 0.182567 0.320858 O\n0.566529 0.566561 0.272937 O\n0.434662 0.434657 0.351858 O\n0.179909 0.569970 0.397518 O\n0.434541 0.815525 0.304302 O\n0.190326 0.190325 0.444599 O\n0.815544 0.434511 0.304300 O\n0.875065 0.875088 0.234348 O\n0.569991 0.179910 0.397518 O\n0.129793 0.129795 0.513825 O\n0.434680 0.815813 0.351856 O\n0.190321 0.562559 0.444600 O\n0.815830 0.434644 0.351859 O\n0.562561 0.190328 0.444599 O\n0.815532 0.815535 0.304302 O\n0.569979 0.569990 0.397517 O\n0.439592 0.439584 0.476281 O\n0.184720 0.562682 0.523739 O\n0.436435 0.817121 0.428666 O\n0.185071 0.185072 0.570865 O\n0.562683 0.184721 0.523738 O\n0.817116 0.436428 0.428668 O\n0.874823 0.874825 0.359440 O\n0.439593 0.810571 0.476279 O\n0.125175 0.125150 0.640561 O\n0.185064 0.562934 0.570867 O\n0.810565 0.439598 0.476279 O\n0.562681 0.562685 0.523740 O\n0.817115 0.817118 0.428667 O\n0.562941 0.185056 0.570868 O\n0.436649 0.813188 0.554622 O\n0.436856 0.436849 0.601710 O\n0.187644 0.187645 0.695203 O\n0.186306 0.563353 0.648374 O\n0.813181 0.436668 0.554622 O\n0.892764 0.892777 0.477711 O\n0.187643 0.563091 0.695203 O\n0.563353 0.186287 0.648372 O\n0.124835 0.124813 0.765691 O\n0.436861 0.812619 0.601711 O\n0.813182 0.813183 0.554622 O\n0.812606 0.436860 0.601709 O\n0.563086 0.187645 0.695203 O\n0.563359 0.563368 0.648372 O\n0.436730 0.436721 0.726619 O\n0.186342 0.186342 0.820502 O\n0.437019 0.812424 0.679767 O\n0.187309 0.563007 0.773335 O\n0.812412 0.437040 0.679767 O\n0.186347 0.563310 0.820499 O\n0.562988 0.187310 0.773335 O\n0.875901 0.875901 0.609034 O\n0.119968 0.119961 0.892511 O\n0.436714 0.813599 0.726619 O\n0.812421 0.812426 0.679766 O\n0.813598 0.436734 0.726619 O\n0.563298 0.186344 0.820501 O\n0.563002 0.563004 0.773335 O\n0.436708 0.814756 0.804222 O\n0.181153 0.181160 0.946700 O\n0.437220 0.437235 0.851351 O\n0.189937 0.559166 0.898968 O\n0.814732 0.436742 0.804224 O\n0.874944 0.874936 0.734398 O\n0.181150 0.564091 0.946701 O\n0.559138 0.189960 0.898972 O\n0.437212 0.814744 0.851353 O\n0.814734 0.814733 0.804224 O\n0.564064 0.181164 0.946701 O\n0.814744 0.437223 0.851350 O\n0.559142 0.559159 0.898970 O\n0.434449 0.434424 0.976857 O\n0.437758 0.811518 0.929900 O\n0.811537 0.437732 0.929899 O\n0.873731 0.873727 0.859853 O\n0.434454 0.816253 0.976855 O\n0.816263 0.434436 0.976857 O\n0.811527 0.811529 0.929899 O\n0.857087 0.857100 0.991091 O\n",
"nsites": 172,
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"elements": [
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],
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"density": 10.022737575764747,
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"volume": 2371.993668077686,
"volume_molar": 8.304930087786364,
"formula_full": "Re32 Pb32 O108",
"formula_reduced": "Re8Pb8O27",
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"energy": -1351.91570083,
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"spacegroup": 160
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{
"id": "mp-973283",
"created_at": "2022-09-04T14:44:24.088902Z",
"structure_string": "Ho1 Lu1 Ag2\n1.0\n0.000000 3.583771 3.583771\n3.583771 0.000000 3.583771\n3.583771 3.583771 0.000000\nHo Lu Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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"density": 10.022751053846047,
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"volume": 92.05571342872325,
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"formula_full": "Ho1 Lu1 Ag2",
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"spacegroup": 225
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{
"id": "mp-1187008",
"created_at": "2022-09-04T14:39:46.145080Z",
"structure_string": "Sm1 Ga1 Rh2\n1.0\n0.000000 3.279768 3.279768\n3.279768 0.000000 3.279768\n3.279768 3.279768 0.000000\nSm Ga Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
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"formula_full": "Sm1 Ga1 Rh2",
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"spacegroup": 225
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{
"id": "mp-974386",
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{
"id": "mp-672689",
"created_at": "2022-09-04T14:42:54.560720Z",
"structure_string": "Hf6 Co16 Si7\n1.0\n0.000000 5.678450 5.678450\n5.678450 0.000000 5.678450\n5.678450 5.678450 0.000000\nHf Co Si\n6 16 7\ndirect\n0.205157 0.794843 0.794843 Hf\n0.794843 0.794843 0.205157 Hf\n0.794843 0.205157 0.205157 Hf\n0.205157 0.205157 0.794843 Hf\n0.794843 0.205157 0.794843 Hf\n0.205157 0.794843 0.205157 Hf\n0.619444 0.619444 0.141669 Co\n0.170461 0.488618 0.170461 Co\n0.858331 0.380556 0.380556 Co\n0.511382 0.829539 0.829539 Co\n0.488618 0.170461 0.170461 Co\n0.829539 0.829539 0.511382 Co\n0.170461 0.170461 0.488618 Co\n0.141669 0.619444 0.619444 Co\n0.170461 0.170461 0.170461 Co\n0.380556 0.380556 0.858331 Co\n0.619444 0.619444 0.619444 Co\n0.380556 0.858331 0.380556 Co\n0.380556 0.380556 0.380556 Co\n0.829539 0.829539 0.829539 Co\n0.619444 0.141669 0.619444 Co\n0.829539 0.511382 0.829539 Co\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n",
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{
"id": "mp-867285",
"created_at": "2022-09-04T14:42:12.550519Z",
"structure_string": "Li1 Tb2 Ir1\n1.0\n0.000000 3.498613 3.498613\n3.498613 0.000000 3.498613\n3.498613 3.498613 0.000000\nLi Tb Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Ir\n",
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"formula_full": "Li1 Tb2 Ir1",
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