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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4419",
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"results": [
{
"id": "jvasp-10232",
"created_at": "2022-09-04T14:36:54.010823Z",
"updated_at": "2022-09-04T14:36:54.010842Z",
"structure_string": "K2 P2 S6\n1.0\n5.986869 -0.000000 3.321142\n2.682707 6.081732 2.220706\n0.027042 0.062076 7.007947\nK P S\n2 2 6\ndirect\n-0.000000 0.258675 0.741326 K\n0.000000 0.741326 0.258674 K\n0.662524 0.337476 0.337476 P\n0.337476 0.662524 0.662524 P\n0.525198 0.226050 0.226050 S\n0.977298 0.773951 0.773951 S\n0.500000 0.306107 0.693894 S\n0.500000 0.693894 0.306106 S\n0.474802 0.773951 0.773951 S\n0.022703 0.226050 0.226050 S\n",
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{
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"created_at": "2022-09-04T14:36:56.472084Z",
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"structure_string": "K1 Na4 Cl5\n1.0\n4.020851 0.005335 16.349657\n1.985422 3.496480 16.349657\n0.009151 0.005335 16.836818\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.595498 0.595501 0.595499 Na\n0.198477 0.198478 0.198477 Na\n0.801521 0.801525 0.801523 Na\n0.404500 0.404502 0.404501 Na\n0.706194 0.706197 0.706196 Cl\n0.499999 0.500001 0.500000 Cl\n0.103011 0.103011 0.103011 Cl\n0.293804 0.293805 0.293805 Cl\n0.896987 0.896991 0.896989 Cl\n",
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{
"id": "jvasp-112102",
"created_at": "2022-09-04T14:38:44.210540Z",
"updated_at": "2022-09-04T14:38:44.210563Z",
"structure_string": "H2 C2 N2 O6\n1.0\n4.453474 -0.000213 0.002300\n0.000959 4.670905 1.146052\n-0.001197 0.001383 5.519563\nH C N O\n2 2 2 6\ndirect\n0.601462 0.539579 0.286125 H\n0.601460 0.039581 0.786124 H\n0.101439 0.727404 0.259792 C\n0.101437 0.227405 0.759792 C\n0.601463 0.748519 0.174632 N\n0.601461 0.248521 0.674631 N\n0.101528 0.480497 0.242483 O\n0.101526 0.980495 0.742483 O\n0.853911 0.389888 0.769164 O\n0.853913 0.889887 0.269164 O\n0.348848 0.889912 0.269107 O\n0.348846 0.389913 0.769106 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "C-H-N-O",
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"density_atomic": 0.10452092442539948,
"volume": 114.80954714062878,
"volume_molar": 5.761660445606017,
"formula_full": "H2 C2 N2 O6",
"formula_reduced": "HCNO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 6
},
{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Rb",
"density": 2.169974969736044,
"density_atomic": 0.030416200499825866,
"volume": 263.0177296485733,
"volume_molar": 19.799122378991672,
"formula_full": "Rb1 Mg6 Cd1",
"formula_reduced": "RbMg6Cd",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-78310",
"created_at": "2022-09-04T14:37:13.314426Z",
"updated_at": "2022-09-04T14:37:13.314450Z",
"structure_string": "Mg1 Al1\n1.0\n3.051044 0.000000 -0.000000\n-1.525522 2.642281 -0.000000\n0.000000 0.000000 4.868233\nMg Al\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.000000 Al\n",
"nsites": 2,
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"elements": [
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"density": 2.169969640449151,
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"volume": 39.246309878492745,
"volume_molar": 11.817340119943092,
"formula_full": "Mg1 Al1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.6445704857142858,
"spacegroup": 187
},
{
"id": "jvasp-10871",
"created_at": "2022-09-04T14:37:03.339221Z",
"updated_at": "2022-09-04T14:37:03.339242Z",
"structure_string": "Na6 P2 S6 O2\n1.0\n5.907320 0.000000 0.000000\n0.000000 7.344971 -1.442535\n0.000000 -0.008726 7.485281\nNa P S O\n6 2 6 2\ndirect\n0.252970 0.085909 0.318160 Na\n0.705065 0.369456 0.630544 Na\n0.205065 0.630544 0.369456 Na\n0.252970 0.681839 0.914090 Na\n0.752970 0.914090 0.681839 Na\n0.752970 0.318160 0.085909 Na\n0.145784 0.205302 0.794697 P\n0.645784 0.794697 0.205302 P\n0.273379 0.951544 0.687123 S\n0.229346 0.381075 0.618925 S\n0.729346 0.618925 0.381075 S\n0.773379 0.048455 0.312876 S\n0.273379 0.312877 0.048455 S\n0.773379 0.687123 0.951544 S\n0.885207 0.195514 0.804486 O\n0.385206 0.804486 0.195514 O\n",
"nsites": 16,
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"elements": [
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"O"
],
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"density": 2.169737676413948,
"density_atomic": 0.04927546543856005,
"volume": 324.70520283466163,
"volume_molar": 12.221377731091772,
"formula_full": "Na6 P2 S6 O2",
"formula_reduced": "Na3PS3O",
"formula_anonymous": "ABC3D3",
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"spacegroup": 36
},
{
"id": "jvasp-63810",
"created_at": "2022-09-04T14:35:52.128070Z",
"updated_at": "2022-09-04T14:35:52.128095Z",
"structure_string": "Li2 B2 C2\n1.0\n1.372138 -2.376613 0.000000\n1.372138 2.376613 -0.000000\n-0.000000 -0.000000 6.986534\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666668 0.750000 B\n0.666668 0.333334 0.250000 B\n0.333334 0.666668 0.250000 C\n0.666668 0.333334 0.750000 C\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.1692189371776935,
"density_atomic": 0.1316749668221238,
"volume": 45.56674776387254,
"volume_molar": 4.5734894834909285,
"formula_full": "Li2 B2 C2",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.157434194444445,
"spacegroup": 194
},
{
"id": "jvasp-62798",
"created_at": "2022-09-04T14:35:45.050947Z",
"updated_at": "2022-09-04T14:35:45.050982Z",
"structure_string": "Li2 B2 C2\n1.0\n1.372139 -2.376615 -0.000000\n1.372139 2.376615 -0.000000\n0.000000 0.000000 6.986541\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333334 0.666667 0.250000 B\n0.666667 0.333334 0.750000 B\n0.333334 0.666667 0.750000 C\n0.666667 0.333334 0.250000 C\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.16921335741211,
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"volume": 45.56686497307653,
"volume_molar": 4.573501247663008,
"formula_full": "Li2 B2 C2",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-63089",
"created_at": "2022-09-04T14:36:04.155555Z",
"updated_at": "2022-09-04T14:36:04.155573Z",
"structure_string": "Li2 B2 C2\n1.0\n1.372143 -2.376621 0.000000\n1.372143 2.376621 -0.000000\n-0.000000 0.000000 6.986553\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333332 0.666666 0.750000 B\n0.666666 0.333332 0.250000 B\n0.333332 0.666666 0.250000 C\n0.666666 0.333332 0.750000 C\n",
"nsites": 6,
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"volume": 45.56719111155441,
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"formula_full": "Li2 B2 C2",
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"spacegroup": 194
},
{
"id": "jvasp-58917",
"created_at": "2022-09-04T14:36:53.794607Z",
"updated_at": "2022-09-04T14:36:53.794631Z",
"structure_string": "Si6 C2 Cl16\n1.0\n8.452984 0.018176 -0.035100\n-1.823454 8.691548 0.141890\n-3.973014 -1.788021 7.901975\nSi C Cl\n6 2 16\ndirect\n0.112358 0.429862 0.604724 Si\n0.887643 0.570139 0.395276 Si\n0.691738 0.203831 0.338527 Si\n0.308263 0.796170 0.661474 Si\n0.982824 0.283897 0.216463 Si\n0.017177 0.716104 0.783538 Si\n0.909827 0.357188 0.377745 C\n0.090174 0.642812 0.622255 C\n0.237824 0.792307 0.020818 Cl\n0.762177 0.207694 0.979183 Cl\n0.899681 0.897410 0.724667 Cl\n0.100320 0.102590 0.275334 Cl\n0.372495 0.786065 0.468345 Cl\n0.627506 0.213936 0.531656 Cl\n0.532669 0.777178 0.870413 Cl\n0.904361 0.685248 0.215059 Cl\n0.283579 0.019079 0.699000 Cl\n0.716421 -0.019078 0.301001 Cl\n0.169668 0.452145 0.193598 Cl\n0.095640 0.314753 0.784941 Cl\n0.643973 0.581929 0.385837 Cl\n0.356028 0.418072 0.614163 Cl\n0.467332 0.222823 0.129588 Cl\n0.830333 0.547856 0.806402 Cl\n",
"nsites": 24,
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"elements": [
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"density": 2.169182185302596,
"density_atomic": 0.04126377381257888,
"volume": 581.6239714042786,
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"formula_full": "Si6 C2 Cl16",
"formula_reduced": "Si3CCl8",
"formula_anonymous": "AB3C8",
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"spacegroup": 2
},
{
"id": "jvasp-32287",
"created_at": "2022-09-04T14:38:08.444204Z",
"updated_at": "2022-09-04T14:38:08.444218Z",
"structure_string": "Si6 C2 Cl16\n1.0\n7.572025 -0.018278 -3.758296\n-2.417444 8.503466 -0.851433\n0.003172 0.060791 9.023120\nSi C Cl\n6 2 16\ndirect\n0.112326 0.429837 0.604716 Si\n0.887675 0.570163 0.395284 Si\n0.691752 0.203825 0.338455 Si\n0.308249 0.796175 0.661545 Si\n0.982909 0.283890 0.216492 Si\n0.017092 0.716110 0.783508 Si\n0.909854 0.357193 0.377729 C\n0.090147 0.642807 0.622271 C\n0.095546 0.314702 0.784904 Cl\n0.904455 0.685299 0.215096 Cl\n0.716424 0.980909 0.300911 Cl\n0.356001 0.418062 0.614189 Cl\n0.467424 0.222866 0.129504 Cl\n0.532578 0.777134 0.870497 Cl\n0.627441 0.213913 0.531538 Cl\n0.372560 0.786087 0.468462 Cl\n0.100443 0.102612 0.275470 Cl\n0.899558 0.897388 0.724531 Cl\n0.762345 0.207599 0.979206 Cl\n0.237656 0.792401 0.020794 Cl\n0.169722 0.452165 0.193611 Cl\n0.830279 0.547835 0.806389 Cl\n0.644000 0.581939 0.385812 Cl\n0.283577 0.019091 0.699089 Cl\n",
"nsites": 24,
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"elements": [
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"volume": 581.631740048403,
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"formula_full": "Si6 C2 Cl16",
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},
{
"id": "jvasp-109260",
"created_at": "2022-09-04T14:38:20.031052Z",
"updated_at": "2022-09-04T14:38:20.031073Z",
"structure_string": "Na2 N2 O4\n1.0\n3.526684 -0.015110 0.098295\n0.020643 5.429478 0.005869\n-0.204503 -0.008805 5.511757\nNa N O\n2 2 4\ndirect\n0.750822 0.749988 0.203290 Na\n0.249177 0.250014 0.796711 Na\n0.750930 0.749960 0.656837 N\n0.249068 0.250041 0.343165 N\n0.251174 0.053021 0.217465 O\n0.250834 0.446854 0.217393 O\n0.748824 0.946980 0.782536 O\n0.749165 0.553147 0.782609 O\n",
"nsites": 8,
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],
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"density_atomic": 0.07572139351739753,
"volume": 105.6504592478471,
"volume_molar": 7.953024211864737,
"formula_full": "Na2 N2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 59
}
]
}