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{
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"results": [
{
"id": "mp-1017354",
"created_at": "2022-09-04T14:43:59.034967Z",
"structure_string": "Mg12 Cr2 Si2\n1.0\n4.912018 0.000000 0.000000\n0.000000 6.061472 0.000000\n0.000000 0.000000 10.736257\nMg Cr Si\n12 2 2\ndirect\n0.500000 0.250557 0.416803 Mg\n0.500000 0.749443 0.416803 Mg\n0.000000 0.747988 0.085695 Mg\n0.000000 0.252012 0.085695 Mg\n0.000000 0.000000 0.330295 Mg\n0.000000 0.500000 0.328996 Mg\n0.500000 0.750557 0.916803 Mg\n0.500000 0.249443 0.916803 Mg\n0.000000 0.247988 0.585695 Mg\n0.000000 0.752012 0.585695 Mg\n0.000000 0.500000 0.830295 Mg\n0.000000 0.000000 0.828996 Mg\n0.500000 0.500000 0.167375 Cr\n0.500000 0.000000 0.667375 Cr\n0.500000 0.000000 0.168336 Si\n0.500000 0.500000 0.668336 Si\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.34707340654465,
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"formula_full": "Mg12 Cr2 Si2",
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"spacegroup": 38
},
{
"id": "mp-1101129",
"created_at": "2022-09-04T14:42:05.874810Z",
"structure_string": "Th1 Pb1 I12\n1.0\n9.239881 0.000000 0.000000\n0.000000 4.780046 0.000000\n0.000000 1.998109 16.008203\nTh Pb I\n1 1 12\ndirect\n0.500000 0.564391 0.261779 Th\n0.000000 0.417254 0.767183 Pb\n0.197988 0.534148 0.323867 I\n0.802012 0.534148 0.323867 I\n0.000000 0.135193 0.136987 I\n0.180407 0.813776 0.882438 I\n0.819593 0.813776 0.882438 I\n0.000000 0.886462 0.621510 I\n0.500000 0.010380 0.389333 I\n0.674721 0.125756 0.134468 I\n0.325279 0.125756 0.134468 I\n0.500000 0.806952 0.875609 I\n0.650544 0.616003 0.634076 I\n0.349456 0.616003 0.634076 I\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "I-Pb-Th",
"density": 4.608157998119564,
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"volume": 707.0352017945438,
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"formula_full": "Th1 Pb1 I12",
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"formula_anonymous": "ABC12",
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"spacegroup": 6
},
{
"id": "mp-1194786",
"created_at": "2022-09-04T14:46:53.634525Z",
"structure_string": "Rb12 Bi8 I36\n1.0\n8.448282 0.000000 0.000000\n0.000000 15.130873 0.000000\n0.000000 14.903654 21.398504\nRb Bi I\n12 8 36\ndirect\n0.476786 0.191857 0.276487 Rb\n0.023214 0.191857 0.776487 Rb\n0.523214 0.808143 0.723513 Rb\n0.976786 0.808143 0.223513 Rb\n0.019851 0.874411 0.438640 Rb\n0.480149 0.874411 0.938640 Rb\n0.980149 0.125589 0.561360 Rb\n0.519851 0.125589 0.061360 Rb\n0.472793 0.541682 0.606445 Rb\n0.027207 0.541682 0.106445 Rb\n0.527207 0.458318 0.393555 Rb\n0.972793 0.458318 0.893555 Rb\n0.993297 0.674656 0.658579 Bi\n0.506703 0.674656 0.158579 Bi\n0.006703 0.325344 0.341421 Bi\n0.493297 0.325344 0.841421 Bi\n0.510040 0.820693 0.342538 Bi\n0.989960 0.820693 0.842538 Bi\n0.489960 0.179307 0.657462 Bi\n0.010040 0.179307 0.157462 Bi\n0.084343 0.740473 0.754208 I\n0.415657 0.740473 0.254208 I\n0.915657 0.259527 0.245792 I\n0.584343 0.259527 0.745792 I\n0.302479 0.313733 0.113235 I\n0.197521 0.313733 0.613235 I\n0.697521 0.686267 0.886765 I\n0.802479 0.686267 0.386765 I\n0.288156 0.788433 0.587113 I\n0.211844 0.788433 0.087113 I\n0.711844 0.211567 0.412887 I\n0.788156 0.211567 0.912887 I\n0.569408 0.910624 0.417733 I\n0.930592 0.910624 0.917733 I\n0.430592 0.089376 0.582267 I\n0.069408 0.089376 0.082267 I\n0.193746 0.976834 0.281237 I\n0.306254 0.976834 0.781237 I\n0.806254 0.023166 0.718763 I\n0.693746 0.023166 0.218763 I\n0.925301 0.594212 0.579295 I\n0.574699 0.594212 0.079295 I\n0.074699 0.405788 0.420705 I\n0.425301 0.405788 0.920705 I\n0.307226 0.643894 0.442706 I\n0.192774 0.643894 0.942706 I\n0.692774 0.356106 0.557294 I\n0.807226 0.356106 0.057294 I\n0.320789 0.445814 0.255162 I\n0.179211 0.445814 0.755162 I\n0.679211 0.554186 0.744838 I\n0.820789 0.554186 0.244838 I\n0.203207 0.126516 0.420834 I\n0.296793 0.126516 0.920834 I\n0.796793 0.873484 0.579166 I\n0.703207 0.873484 0.079166 I\n",
"nsites": 56,
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"elements": [
"Rb",
"Bi",
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],
"chemical_system": "Bi-I-Rb",
"density": 4.410925775751327,
"density_atomic": 0.020472563492582793,
"volume": 2735.368241514493,
"volume_molar": 29.41566532291777,
"formula_full": "Rb12 Bi8 I36",
"formula_reduced": "Rb3Bi2I9",
"formula_anonymous": "A2B3C9",
"energy": -163.63735554000002,
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"updated_at": "2021-11-28T01:37:43.803000Z",
"spacegroup": 14
},
{
"id": "mp-1074916",
"created_at": "2022-09-04T14:47:01.412464Z",
"structure_string": "Mg14 Si8\n1.0\n4.510152 0.000000 0.000000\n-0.005300 6.187807 0.000000\n-0.466125 -0.912291 15.461076\nMg Si\n14 8\ndirect\n0.014682 0.043240 0.825069 Mg\n0.509701 0.705043 0.758650 Mg\n0.993841 0.903748 0.634630 Mg\n0.002327 0.403293 0.686315 Mg\n0.041673 0.274879 0.008140 Mg\n0.477291 0.842774 0.442710 Mg\n0.957594 0.294196 0.217301 Mg\n0.472021 0.349227 0.366277 Mg\n0.523970 0.350848 0.882393 Mg\n0.525787 0.831292 0.949060 Mg\n0.044030 0.784065 0.098181 Mg\n0.960727 0.786830 0.307394 Mg\n0.982473 0.119140 0.463567 Mg\n0.983624 0.574274 0.484834 Mg\n0.544531 0.092994 0.092072 Si\n0.504988 0.123048 0.722542 Si\n0.020502 0.614501 0.861665 Si\n0.452700 0.606152 0.228441 Si\n0.553023 0.487967 0.077852 Si\n0.496230 0.205373 0.568024 Si\n0.489076 0.595556 0.587484 Si\n0.452819 0.004131 0.241066 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
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"Si"
],
"chemical_system": "Mg-Si",
"density": 2.17417517366005,
"density_atomic": 0.05098647971666115,
"volume": 431.486937757951,
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"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -64.28425967,
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"updated_at": "2021-11-28T01:37:44.009000Z",
"spacegroup": 1
},
{
"id": "mp-5367",
"created_at": "2022-09-04T14:41:49.135379Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n8.884284 0.000000 0.000000\n0.000000 9.960804 0.000000\n0.000000 9.879055 16.242890\nK Sn Sb\n20 4 12\ndirect\n0.159402 0.163961 0.259402 K\n0.659402 0.836039 0.240598 K\n0.840598 0.836039 0.740598 K\n0.340598 0.163961 0.759402 K\n0.171987 0.842618 0.579455 K\n0.671987 0.157382 0.920545 K\n0.828013 0.157382 0.420545 K\n0.328013 0.842618 0.079455 K\n0.006170 0.888587 0.913499 K\n0.506170 0.111413 0.586501 K\n0.993830 0.111413 0.086501 K\n0.493830 0.888587 0.413499 K\n0.519637 0.738910 0.922477 K\n0.019637 0.261090 0.577523 K\n0.480363 0.261090 0.077523 K\n0.980363 0.738910 0.422477 K\n0.992611 0.447082 0.744698 K\n0.492611 0.552918 0.755302 K\n0.007389 0.552918 0.255302 K\n0.507389 0.447082 0.244698 K\n0.356782 0.513481 0.413264 Sn\n0.856782 0.486519 0.086736 Sn\n0.643218 0.486519 0.586736 Sn\n0.143218 0.513481 0.913264 Sn\n0.262944 0.238011 0.919600 Sb\n0.762944 0.761989 0.580400 Sb\n0.737056 0.761989 0.080400 Sb\n0.237056 0.238011 0.419600 Sb\n0.187994 0.516600 0.066154 Sb\n0.687994 0.483400 0.433846 Sb\n0.812006 0.483400 0.933846 Sb\n0.312006 0.516600 0.566154 Sb\n0.266158 0.807805 0.272581 Sb\n0.766158 0.192195 0.227419 Sb\n0.733842 0.192195 0.727419 Sb\n0.233842 0.807805 0.772581 Sb\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 3.139833327530426,
"density_atomic": 0.025045076931565626,
"volume": 1437.4082418819528,
"volume_molar": 24.04520767277013,
"formula_full": "K20 Sn4 Sb12",
"formula_reduced": "K5SnSb3",
"formula_anonymous": "AB3C5",
"energy": -105.18661516,
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"updated_at": "2021-11-28T01:35:39.355000Z",
"spacegroup": 14
},
{
"id": "mp-31148",
"created_at": "2022-09-04T14:48:15.723474Z",
"structure_string": "Ba2 Zn2 Sn2\n1.0\n2.373018 -4.110188 0.000000\n2.373018 4.110188 0.000000\n0.000000 0.000000 10.001122\nBa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.750000 Zn\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.47199483513793,
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"formula_full": "Ba2 Zn2 Sn2",
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"updated_at": "2021-11-28T01:38:39.443000Z",
"spacegroup": 194
},
{
"id": "mp-1022456",
"created_at": "2022-09-04T14:42:27.837033Z",
"structure_string": "Mg12 Zr2 Si2\n1.0\n5.052461 0.000000 0.000000\n0.000000 5.879574 0.000000\n0.000000 0.000000 11.294308\nMg Zr Si\n12 2 2\ndirect\n0.500000 0.749482 0.923947 Mg\n0.500000 0.250518 0.923947 Mg\n0.000000 0.250870 0.578510 Mg\n0.000000 0.749130 0.578510 Mg\n0.000000 0.500000 0.831636 Mg\n0.000000 0.000000 0.819276 Mg\n0.500000 0.249482 0.423947 Mg\n0.500000 0.750518 0.423947 Mg\n0.000000 0.750870 0.078510 Mg\n0.000000 0.249130 0.078510 Mg\n0.000000 0.000000 0.331636 Mg\n0.000000 0.500000 0.319276 Mg\n0.500000 0.500000 0.677106 Zr\n0.500000 0.000000 0.177106 Zr\n0.500000 0.000000 0.667065 Si\n0.500000 0.500000 0.167065 Si\n",
"nsites": 16,
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"elements": [
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"Zr",
"Si"
],
"chemical_system": "Mg-Si-Zr",
"density": 2.624490883481484,
"density_atomic": 0.04768826532183743,
"volume": 335.5123087832946,
"volume_molar": 12.628139688784902,
"formula_full": "Mg12 Zr2 Si2",
"formula_reduced": "Mg6ZrSi",
"formula_anonymous": "ABC6",
"energy": -46.74674024,
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"updated_at": "2021-11-28T01:35:48.195000Z",
"spacegroup": 38
},
{
"id": "mp-1185352",
"created_at": "2022-09-04T14:41:06.054532Z",
"structure_string": "Li2 Ga6\n1.0\n2.860770 -4.954998 0.000000\n2.860770 4.954998 0.000000\n0.000000 0.000000 4.869989\nLi Ga\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.834172 0.165828 0.750000 Ga\n0.331655 0.165828 0.750000 Ga\n0.834172 0.668345 0.750000 Ga\n0.165828 0.834172 0.250000 Ga\n0.668345 0.834172 0.250000 Ga\n0.165828 0.331655 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Li",
"density": 5.198398326484377,
"density_atomic": 0.057943614750739655,
"volume": 138.0652559287886,
"volume_molar": 10.393105065857368,
"formula_full": "Li2 Ga6",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy": -23.37198054,
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"updated_at": "2021-11-28T01:35:16.859000Z",
"spacegroup": 194
},
{
"id": "mp-1074833",
"created_at": "2022-09-04T14:43:51.912118Z",
"structure_string": "Mg14 Si8\n1.0\n5.271583 0.000000 0.000000\n-0.189904 6.139177 0.000000\n-2.492454 -0.394568 13.626417\nMg Si\n14 8\ndirect\n0.939129 0.947405 0.834102 Mg\n0.139373 0.400526 0.754939 Mg\n0.608394 0.177100 0.624393 Mg\n0.589722 0.670450 0.654791 Mg\n0.025985 0.435089 0.989939 Mg\n0.832333 0.185510 0.443048 Mg\n0.271731 0.667742 0.233869 Mg\n0.787929 0.681385 0.392137 Mg\n0.499390 0.680551 0.918523 Mg\n0.493325 0.164914 0.967296 Mg\n0.029587 0.942632 0.057305 Mg\n0.401651 0.181021 0.236157 Mg\n0.310516 0.924172 0.445077 Mg\n0.329018 0.427758 0.434258 Mg\n0.564137 0.858420 0.113789 Si\n0.403299 0.990071 0.776054 Si\n0.661278 0.353354 0.806228 Si\n0.922228 0.361502 0.264841 Si\n0.650445 0.471995 0.113642 Si\n0.074837 0.952892 0.615647 Si\n0.065780 0.563037 0.572585 Si\n0.899940 0.969923 0.255090 Si\n",
"nsites": 22,
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"elements": [
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"density": 2.12730277461992,
"density_atomic": 0.049887277291813435,
"volume": 440.99420121310624,
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"formula_full": "Mg14 Si8",
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"formula_anonymous": "A4B7",
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"updated_at": "2021-11-28T01:36:19.819000Z",
"spacegroup": 1
},
{
"id": "mp-1074830",
"created_at": "2022-09-04T14:39:23.602086Z",
"structure_string": "Mg14 Si8\n1.0\n-5.547042 0.000000 0.000000\n-0.066404 -6.140630 0.000000\n2.600625 1.597807 12.861216\nMg Si\n14 8\ndirect\n0.983884 0.733359 0.818660 Mg\n0.141418 0.228639 0.752668 Mg\n0.690246 0.909871 0.617212 Mg\n0.567870 0.425484 0.666558 Mg\n0.042627 0.404988 0.004376 Mg\n0.783630 0.709962 0.395864 Mg\n0.248950 0.662586 0.233107 Mg\n0.820373 0.218179 0.457298 Mg\n0.526438 0.547826 0.911389 Mg\n0.424083 0.080724 0.959175 Mg\n0.967720 0.915630 0.043570 Mg\n0.378629 0.176221 0.230268 Mg\n0.307052 0.499671 0.448752 Mg\n0.321053 0.994508 0.425947 Mg\n0.528824 0.821604 0.110938 Si\n0.450435 0.834596 0.769860 Si\n0.718187 0.159284 0.822602 Si\n0.919191 0.358741 0.264155 Si\n0.593815 0.435386 0.114071 Si\n0.169069 0.895209 0.596538 Si\n0.027014 0.531329 0.611097 Si\n0.889592 0.967305 0.249602 Si\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Mg-Si",
"density": 2.1414393018190943,
"density_atomic": 0.05021879232612935,
"volume": 438.08301595801566,
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"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
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{
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}