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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4386",
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"results": [
{
"id": "jvasp-103973",
"created_at": "2022-09-04T14:36:39.892846Z",
"updated_at": "2022-09-04T14:36:39.892856Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.769824 -0.515650 -0.261671\n-1.622102 4.388668 -0.152365\n-0.394361 0.008003 11.718275\nCd H C O\n1 10 7 4\ndirect\n0.184325 0.005358 0.195810 Cd\n0.842935 0.189188 0.585880 H\n0.947393 0.240796 0.807147 H\n0.461239 0.385085 0.805519 H\n0.495040 0.852054 0.694469 H\n0.980804 0.708308 0.696057 H\n0.078666 0.758293 0.915652 H\n0.589002 0.917919 0.912375 H\n0.878017 0.662657 0.475941 H\n0.388775 0.806502 0.474634 H\n0.357205 0.334219 0.584153 H\n0.034324 0.384554 0.365285 C\n0.105775 0.582323 0.477101 C\n0.127241 0.412679 0.585589 C\n0.210699 0.628464 0.695316 C\n0.230576 0.463734 0.805512 C\n0.314932 0.686833 0.912890 C\n0.355420 0.551133 0.026825 C\n0.251817 0.253077 0.028766 O\n-0.100250 0.453974 0.271317 O\n0.119778 0.151166 0.369425 O\n0.499828 0.750022 0.118179 O\n",
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{
"id": "jvasp-112113",
"created_at": "2022-09-04T14:38:41.636366Z",
"updated_at": "2022-09-04T14:38:41.636384Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.754920 0.138088 0.640458\n1.093805 4.366426 0.621918\n0.192280 0.259845 11.352759\nCd H C O\n1 10 7 4\ndirect\n0.945220 0.891851 0.202061 Cd\n0.422936 0.742709 0.548698 H\n0.534753 0.666236 0.778804 H\n0.077603 0.641098 0.822427 H\n0.217079 0.183845 0.707667 H\n0.671786 0.212531 0.657041 H\n0.782478 0.180184 0.902557 H\n0.386310 0.058057 0.910617 H\n0.098310 0.232389 0.508610 H\n0.929254 0.616630 0.440064 H\n-0.027617 0.741164 0.618057 H\n0.478331 0.392179 0.370194 C\n0.168385 0.450993 0.475600 C\n0.240920 0.589640 0.581533 C\n0.386435 0.350033 0.685190 C\n0.364709 0.501246 0.798380 C\n0.479031 0.267559 0.907143 C\n0.324738 0.387758 0.028941 C\n0.136589 0.669113 0.030869 O\n0.490092 0.614967 0.284391 O\n0.710007 0.126541 0.370025 O\n0.380391 0.196026 0.124983 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
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"formula_full": "Cd1 H10 C7 O4",
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"formula_anonymous": "AB4C7D10",
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},
{
"id": "jvasp-93509",
"created_at": "2022-09-04T14:35:45.274784Z",
"updated_at": "2022-09-04T14:35:45.274807Z",
"structure_string": "H2 C4\n1.0\n0.000000 -2.461181 0.000000\n0.005860 -0.000000 3.480992\n-6.008481 1.230590 -0.302149\nH C\n2 4\ndirect\n0.048536 0.759826 0.395452 H\n0.653084 0.240173 0.604548 H\n0.408453 0.576042 0.115287 C\n0.293165 0.423957 0.884712 C\n0.961989 0.646657 0.222356 C\n0.739633 0.353342 0.777644 C\n",
"nsites": 6,
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"volume": 51.47241018609923,
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"formula_full": "H2 C4",
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"spacegroup": 12
},
{
"id": "jvasp-103971",
"created_at": "2022-09-04T14:36:33.673047Z",
"updated_at": "2022-09-04T14:36:33.673083Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n4.051693 0.116408 0.171455\n0.909172 4.220582 0.347954\n-0.082799 -0.010086 10.637026\nCd H C O\n1 10 7 4\ndirect\n0.928158 0.954312 0.840095 Cd\n0.572236 0.313293 0.400205 H\n0.925618 0.428664 0.238873 H\n0.922566 0.780761 0.144015 H\n0.996122 0.912377 0.349546 H\n0.406216 0.855983 0.282644 H\n0.539180 0.207099 0.167384 H\n0.522149 0.572980 0.079357 H\n0.627976 0.793648 0.507075 H\n0.200449 0.867904 0.555814 H\n0.150802 0.362346 0.458200 H\n0.531840 0.486124 0.658969 C\n0.421994 0.675421 0.535358 C\n0.344035 0.492842 0.426858 C\n0.210670 0.728905 0.314590 C\n0.086504 0.587545 0.202637 C\n0.367950 0.410141 0.116862 C\n0.240902 0.291820 0.002495 C\n0.969429 0.448982 0.948369 O\n0.748146 0.215329 0.655725 O\n0.420859 0.607907 0.761686 O\n0.401357 0.024023 0.961732 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.121653201788255,
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"formula_anonymous": "AB4C7D10",
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},
{
"id": "jvasp-93668",
"created_at": "2022-09-04T14:36:06.663080Z",
"updated_at": "2022-09-04T14:36:06.663104Z",
"structure_string": "U2 Ti1 H3\n1.0\n0.000000 0.000000 -3.706502\n-2.383787 -4.128839 0.000000\n-2.380482 4.126931 0.000000\nU Ti H\n2 1 3\ndirect\n0.500000 0.333225 0.666503 U\n0.500000 0.666723 0.333497 U\n0.000000 0.999965 0.000001 Ti\n0.000000 0.500020 0.500040 H\n0.000000 0.999981 0.499961 H\n0.000000 0.499988 0.000000 H\n",
"nsites": 6,
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"density_atomic": 0.08231201188867589,
"volume": 72.8933707526769,
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"spacegroup": 191
},
{
"id": "jvasp-103972",
"created_at": "2022-09-04T14:36:36.991463Z",
"updated_at": "2022-09-04T14:36:36.991488Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n4.105906 0.049216 0.455266\n1.047223 4.051418 0.743044\n0.009757 0.008135 10.890858\nCd H C O\n1 10 7 4\ndirect\n0.759003 0.206795 0.173106 Cd\n0.048885 0.390749 0.616190 H\n0.887023 0.021510 0.719348 H\n0.892716 0.639080 0.812044 H\n0.508975 0.434743 0.752280 H\n0.502419 0.816246 0.657328 H\n0.943751 0.148617 0.911998 H\n0.379181 0.018995 0.863899 H\n0.873687 0.800257 0.449552 H\n0.128224 0.032593 0.485812 H\n0.465946 0.328859 0.550524 H\n0.347632 0.727556 0.348301 C\n0.133433 0.783094 0.469946 C\n0.248296 0.516688 0.583277 C\n0.347649 0.642927 0.693576 C\n0.049675 0.810121 0.776424 C\n0.147348 0.937651 0.888234 C\n0.201873 0.672499 0.002248 C\n0.974242 0.693566 0.093859 O\n0.291597 0.964744 0.254731 O\n0.574185 0.458732 0.344419 O\n0.464687 0.431502 0.000932 O\n",
"nsites": 22,
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"density_atomic": 0.12183862615803842,
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"formula_full": "Cd1 H10 C7 O4",
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},
{
"id": "jvasp-63714",
"created_at": "2022-09-04T14:35:45.343228Z",
"updated_at": "2022-09-04T14:35:45.343255Z",
"structure_string": "Tb4 Cr4 B16\n1.0\n3.477538 0.000000 0.000000\n0.000000 5.930783 0.000000\n0.000000 0.000000 11.463000\nTb Cr B\n4 4 16\ndirect\n0.000000 0.123809 0.849234 Tb\n0.000000 0.876190 0.150766 Tb\n0.000000 0.376191 0.349234 Tb\n0.000000 0.623809 0.650766 Tb\n0.000000 0.121140 0.578919 Cr\n0.000000 0.878859 0.421081 Cr\n0.000000 0.378860 0.078919 Cr\n0.000000 0.621140 0.921081 Cr\n0.500000 0.525298 0.191214 B\n0.500000 0.474701 0.808786 B\n0.500000 0.886993 0.546612 B\n0.500000 0.113007 0.453388 B\n0.500000 0.613007 0.046612 B\n0.500000 0.386993 0.953388 B\n0.500000 0.862020 0.967434 B\n0.500000 0.779398 0.816324 B\n0.500000 0.637979 0.467434 B\n0.500000 0.362020 0.532566 B\n0.500000 0.025299 0.308786 B\n0.500000 0.220602 0.183676 B\n0.500000 0.720602 0.316324 B\n0.500000 0.279398 0.683676 B\n0.500000 0.137980 0.032566 B\n0.500000 0.974701 0.691214 B\n",
"nsites": 24,
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"elements": [
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"B"
],
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"density": 7.140742828608972,
"density_atomic": 0.10151472230321915,
"volume": 236.4189100405876,
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"formula_full": "Tb4 Cr4 B16",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-110828",
"created_at": "2022-09-04T14:38:36.955848Z",
"updated_at": "2022-09-04T14:38:36.955868Z",
"structure_string": "Mn1 Tc2 As1\n1.0\n3.697759 0.000000 2.134902\n1.232586 3.486280 2.134902\n0.000000 0.000000 4.269804\nMn Tc As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.249999 Tc\n0.750001 0.750000 0.749998 Tc\n0.500001 0.500000 0.499999 As\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.83039277605544,
"density_atomic": 0.0726693347302349,
"volume": 55.04385054368407,
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"formula_full": "Mn1 Tc2 As1",
"formula_reduced": "MnTc2As",
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"spacegroup": 225
},
{
"id": "jvasp-101956",
"created_at": "2022-09-04T14:36:49.726332Z",
"updated_at": "2022-09-04T14:36:49.726349Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.689188 -0.456763 0.648971\n-0.409665 4.278471 0.169833\n1.104005 -0.057279 11.968882\nCd H C O\n1 10 7 4\ndirect\n0.359469 0.015358 0.796530 Cd\n0.943801 0.717012 0.430782 H\n-0.034898 0.734455 0.209723 H\n0.459244 0.789815 0.177511 H\n0.375099 0.259069 0.289110 H\n0.884479 0.213956 0.323248 H\n0.933057 0.223659 0.110378 H\n0.421365 0.272058 0.079572 H\n0.813233 0.174474 0.535819 H\n0.289739 0.176958 0.498138 H\n0.433598 0.742913 0.399585 H\n0.138115 0.464889 0.630432 C\n0.091635 0.337847 0.517908 C\n0.159788 0.573629 0.413743 C\n0.151476 0.395774 0.305581 C\n0.194885 0.605989 0.196440 C\n0.197814 0.406042 0.093012 C\n0.241693 0.593167 0.980568 C\n0.078844 0.825315 0.982724 O\n-0.019371 0.269248 0.722670 O\n0.340781 0.736415 0.631567 O\n0.444680 0.525172 0.884842 O\n",
"nsites": 22,
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},
{
"id": "jvasp-56974",
"created_at": "2022-09-04T14:37:37.086205Z",
"updated_at": "2022-09-04T14:37:37.086228Z",
"structure_string": "Nb6 Bi2\n1.0\n5.393906 0.000000 0.000000\n-0.000000 5.393906 0.000000\n-0.000000 -0.000000 5.393906\nNb Bi\n6 2\ndirect\n0.500000 0.250000 0.000000 Nb\n0.000000 0.500000 0.750001 Nb\n0.750001 0.000000 0.500000 Nb\n0.500000 0.750001 0.000000 Nb\n0.000000 0.500000 0.250000 Nb\n0.250000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 8,
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],
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"formula_full": "Nb6 Bi2",
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},
{
"id": "jvasp-112180",
"created_at": "2022-09-04T14:38:45.095455Z",
"updated_at": "2022-09-04T14:38:45.095490Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.944380 -0.161970 -0.412784\n-1.323377 4.344031 -0.436040\n0.200221 -0.030658 10.622988\nCd H C O\n1 10 7 4\ndirect\n0.644262 0.597690 0.173070 Cd\n0.719478 0.510911 0.629963 H\n0.514446 0.430599 0.849310 H\n0.143745 0.512868 0.778971 H\n0.001445 0.994295 0.625595 H\n0.415510 0.976448 0.691040 H\n0.420430 0.947830 0.993929 H\n0.849045 0.872968 0.838402 H\n0.781528 0.339975 0.424920 H\n0.626134 0.980636 0.487402 H\n0.309304 0.502254 0.549653 H\n0.254907 0.054505 0.350337 C\n0.552624 0.179522 0.460264 C\n0.462919 0.352339 0.578913 C\n0.270280 0.139245 0.670927 C\n0.242546 0.318527 0.797709 C\n0.000411 0.113020 0.878400 C\n0.923868 0.226548 0.990876 C\n0.077797 0.510834 0.054233 O\n0.013596 0.790664 0.354669 O\n0.246670 0.201872 0.255633 O\n0.645443 0.042785 0.053125 O\n",
"nsites": 22,
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],
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"formula_full": "Cd1 H10 C7 O4",
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},
{
"id": "jvasp-79056",
"created_at": "2022-09-04T14:36:47.815435Z",
"updated_at": "2022-09-04T14:36:47.815456Z",
"structure_string": "Np1 Fe3\n1.0\n-1.859151 1.859151 3.656688\n1.859151 -1.859151 3.656688\n1.859151 1.859151 -3.656688\nNp Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n",
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],
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"volume": 50.5565263838709,
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"formula_full": "Np1 Fe3",
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}
]
}