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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4474",
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"results": [
{
"id": "jvasp-112215",
"created_at": "2022-09-04T14:38:46.233346Z",
"updated_at": "2022-09-04T14:38:46.233366Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.784041 0.319975 0.219789\n1.719777 4.491322 0.240225\n0.485995 0.116446 17.607443\nCd H C O\n1 20 12 4\ndirect\n0.618679 0.013553 0.151592 Cd\n0.065778 0.778514 0.491713 H\n0.359768 0.305879 0.411267 H\n0.303660 0.212004 0.954601 H\n0.755232 0.181240 0.835170 H\n0.170265 0.248747 0.811438 H\n0.623408 0.222809 0.694046 H\n0.038187 0.290777 0.670205 H\n0.491127 0.264389 0.552810 H\n0.906112 0.332203 0.529070 H\n0.905543 0.126069 0.974531 H\n0.775154 0.372382 0.387817 H\n0.461614 0.655027 0.915464 H\n-0.122947 0.721348 0.891901 H\n0.329844 0.695360 0.774212 H\n0.744882 0.763049 0.750409 H\n0.197401 0.736650 0.633020 H\n0.612074 0.804806 0.609219 H\n0.933306 0.815259 0.348520 H\n0.331506 0.901114 0.328648 H\n0.480692 0.846279 0.468080 H\n0.907793 0.473429 0.042722 C\n-0.016461 0.321003 0.966522 C\n0.778434 0.537335 0.900453 C\n0.852847 0.366427 0.826240 C\n0.647191 0.577959 0.759380 C\n0.720830 0.408050 0.685045 C\n0.458251 0.489978 0.402756 C\n0.588718 0.449539 0.543861 C\n0.383266 0.660978 0.476973 C\n0.253458 0.706204 0.336648 C\n0.329455 0.553682 0.260457 C\n0.514783 0.619483 0.618200 C\n0.980471 0.302574 0.104099 O\n0.256914 0.724474 0.199069 O\n0.458203 0.261873 0.260684 O\n0.779068 0.765230 0.042507 O\n",
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{
"id": "jvasp-103856",
"created_at": "2022-09-04T14:36:41.629264Z",
"updated_at": "2022-09-04T14:36:41.629293Z",
"structure_string": "H2 C4 S4 N2 O2\n1.0\n3.668600 -0.028713 0.012426\n-0.410142 4.185795 -0.115653\n-0.001905 -0.085119 13.182298\nH C S N O\n2 4 4 2 2\ndirect\n0.782700 0.210192 0.155810 H\n0.282705 0.210191 0.655810 H\n0.836067 0.670456 0.207871 C\n0.336070 0.670455 0.707871 C\n0.331303 0.179369 0.808284 C\n0.831301 0.179370 0.308284 C\n0.480928 0.303866 0.919004 S\n-0.019071 0.303866 0.419004 S\n0.001923 0.795100 0.098089 S\n0.501927 0.795100 0.598089 S\n0.766561 0.345211 0.223143 N\n0.266564 0.345210 0.723143 N\n0.737354 0.843783 0.290507 O\n0.237357 0.843783 0.790507 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "C-H-N-O-S",
"density": 1.9569042412703943,
"density_atomic": 0.06922583392626849,
"volume": 202.23663921349382,
"volume_molar": 8.699267915521396,
"formula_full": "H2 C4 S4 N2 O2",
"formula_reduced": "HC2S2NO",
"formula_anonymous": "ABCD2E2",
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"spacegroup": 1
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{
"id": "jvasp-94772",
"created_at": "2022-09-04T14:36:01.772100Z",
"updated_at": "2022-09-04T14:36:01.772109Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.752651 0.739351 0.000000\n-2.736029 6.217642 0.000000\n0.000000 0.000000 4.980182\nRb Mg Al\n1 6 1\ndirect\n0.382842 0.117158 0.750000 Rb\n0.098937 0.784510 0.250000 Mg\n0.715489 0.401063 0.250000 Mg\n0.637949 0.862050 0.250000 Mg\n0.298734 0.594629 0.750000 Mg\n0.905371 0.201266 0.750000 Mg\n0.808928 0.691072 0.750000 Mg\n0.151748 0.348251 0.250000 Al\n",
"nsites": 8,
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"elements": [
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"density": 1.9568496271494948,
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"volume": 219.17010172399137,
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"formula_full": "Rb1 Mg6 Al1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-110663",
"created_at": "2022-09-04T14:38:37.129404Z",
"updated_at": "2022-09-04T14:38:37.129425Z",
"structure_string": "Li3 Sc1 Cl6\n1.0\n6.010099 -0.000000 3.469932\n2.003366 5.666376 3.469932\n-0.000000 -0.000000 6.939865\nLi Sc Cl\n3 1 6\ndirect\n0.750000 0.750001 0.749999 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sc\n0.749580 0.250421 0.250420 Cl\n0.250421 0.250421 0.749579 Cl\n0.250421 0.749580 0.749578 Cl\n0.250421 0.749580 0.250419 Cl\n0.749580 0.250421 0.749579 Cl\n0.749580 0.749580 0.250419 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 236.34043878479585,
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"formula_full": "Li3 Sc1 Cl6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-34239",
"created_at": "2022-09-04T14:37:14.021105Z",
"updated_at": "2022-09-04T14:37:14.021120Z",
"structure_string": "Li4 C1 O4\n1.0\n4.522964 0.426432 0.878979\n0.802300 4.471619 0.878980\n0.463625 0.426432 4.584198\nLi C O\n4 1 4\ndirect\n0.944100 0.429122 0.429123 Li\n0.429122 0.944100 0.429122 Li\n0.429123 0.429121 0.944101 Li\n0.813366 0.813365 0.813366 Li\n0.040695 0.040695 0.040695 C\n0.274013 0.851003 0.851004 O\n0.175916 0.175916 0.175916 O\n0.851003 0.274011 0.851004 O\n0.851002 0.851003 0.274013 O\n",
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"density": 1.9558511519055652,
"density_atomic": 0.10215221067479897,
"volume": 88.10382017723975,
"volume_molar": 5.895262295567399,
"formula_full": "Li4 C1 O4",
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"formula_anonymous": "AB4C4",
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"spacegroup": 160
},
{
"id": "jvasp-164",
"created_at": "2022-09-04T14:37:11.930463Z",
"updated_at": "2022-09-04T14:37:11.930478Z",
"structure_string": "B2 Cl6\n1.0\n3.002776 -5.200960 0.000000\n3.002776 5.200961 0.000000\n0.000000 0.000000 6.370269\nB Cl\n2 6\ndirect\n0.333334 0.666668 0.250000 B\n0.666668 0.333334 0.750000 B\n0.051817 0.368327 0.250000 Cl\n0.683491 0.051818 0.750000 Cl\n0.368327 0.316510 0.750000 Cl\n0.631674 0.683491 0.250000 Cl\n0.316510 0.948184 0.250000 Cl\n0.948184 0.631675 0.750000 Cl\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.04020644989872662,
"volume": 198.97305084509262,
"volume_molar": 14.978046495447309,
"formula_full": "B2 Cl6",
"formula_reduced": "BCl3",
"formula_anonymous": "AB3",
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"spacegroup": 176
},
{
"id": "jvasp-120232",
"created_at": "2022-09-04T14:38:53.840691Z",
"updated_at": "2022-09-04T14:38:53.840714Z",
"structure_string": "H1 S2\n1.0\n4.604299 -1.260691 -0.767656\n1.534327 -3.859660 -0.912506\n0.509931 -1.287157 -3.796462\nH S\n1 2\ndirect\n0.988874 0.101653 0.836799 H\n0.508336 0.205056 0.555153 S\n0.813160 0.888639 0.995942 S\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-39882",
"created_at": "2022-09-04T14:37:39.789634Z",
"updated_at": "2022-09-04T14:37:39.789652Z",
"structure_string": "Li2 Ca1 Si1\n1.0\n-0.000000 3.265986 3.265986\n3.265986 0.000000 3.265986\n3.265986 3.265986 -0.000000\nLi Ca Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 Si\n",
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],
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"volume": 69.67435418833679,
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"formula_full": "Li2 Ca1 Si1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-115588",
"created_at": "2022-09-04T14:38:45.332677Z",
"updated_at": "2022-09-04T14:38:45.332692Z",
"structure_string": "Ba1 Zr1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nBa Zr O\n1 1 1\ndirect\n0.359571 0.000057 0.000000 Ba\n-0.016920 -0.053955 0.000000 Zr\n0.000301 0.273431 0.000000 O\n",
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"elements": [
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},
{
"id": "jvasp-38432",
"created_at": "2022-09-04T14:38:34.067840Z",
"updated_at": "2022-09-04T14:38:34.067866Z",
"structure_string": "K6 Nd2\n1.0\n4.264768 -7.386795 0.000000\n4.264768 7.386795 0.000000\n-0.000000 0.000000 7.051815\nK Nd\n6 2\ndirect\n0.829105 0.170896 0.250000 K\n0.829105 0.658209 0.250000 K\n0.341791 0.170896 0.250000 K\n0.170896 0.829105 0.750001 K\n0.170896 0.341791 0.750001 K\n0.658209 0.829105 0.750001 K\n0.666667 0.333333 0.750001 Nd\n0.333333 0.666667 0.250000 Nd\n",
"nsites": 8,
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{
"id": "jvasp-114041",
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"structure_string": "Ba1 Ge1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Ge O\n1 1 1\ndirect\n0.387296 0.002089 0.000000 Ba\n-0.024385 -0.071254 0.000000 Ge\n0.051041 0.275794 0.000000 O\n",
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{
"id": "jvasp-120327",
"created_at": "2022-09-04T14:38:51.716874Z",
"updated_at": "2022-09-04T14:38:51.716903Z",
"structure_string": "Mg2 C2\n1.0\n5.352307 -0.603819 2.148332\n2.687977 -5.229682 0.914215\n0.431923 -2.842863 -2.261235\nMg C\n2 2\ndirect\n0.961651 0.863668 0.060311 Mg\n0.466295 0.836304 0.582226 Mg\n0.577874 0.221590 0.087059 C\n0.343568 0.455206 0.086243 C\n",
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]
}