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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3389",
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"results": [
{
"id": "jvasp-47993",
"created_at": "2022-09-04T14:36:03.424892Z",
"updated_at": "2022-09-04T14:36:03.424919Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.802487 0.009237 0.003903\n0.141242 5.816431 -0.022764\n0.231509 0.418448 7.998385\nMn O F\n6 2 10\ndirect\n0.500000 0.500000 0.000000 Mn\n0.523082 0.809212 0.664116 Mn\n0.476918 0.190789 0.335885 Mn\n0.977040 0.345773 0.678733 Mn\n0.022960 0.654228 0.321268 Mn\n0.000000 0.000000 0.000000 Mn\n0.686896 0.532566 0.783030 O\n0.313105 0.467434 0.216970 O\n0.197835 0.628213 0.562567 F\n0.298193 0.797293 0.900976 F\n0.295822 0.123411 0.578047 F\n0.704179 0.876590 0.421954 F\n0.802165 0.371788 0.437434 F\n0.796045 0.702450 0.099452 F\n0.800293 0.032892 0.765571 F\n0.199708 0.967109 0.234429 F\n0.701807 0.202708 0.099025 F\n0.203956 0.297550 0.900549 F\n",
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{
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"created_at": "2022-09-04T14:36:51.502815Z",
"updated_at": "2022-09-04T14:36:51.502825Z",
"structure_string": "Rb2 Dy1 Au1 Cl6\n1.0\n6.514933 -0.000000 3.761398\n2.171644 6.142338 3.761398\n-0.000000 -0.000000 7.522797\nRb Dy Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.499999 0.500000 0.500001 Au\n0.754286 0.245714 0.245714 Cl\n0.245713 0.245714 0.754287 Cl\n0.245713 0.754287 0.754287 Cl\n0.245713 0.754287 0.245714 Cl\n0.754286 0.245714 0.754287 Cl\n0.754286 0.754287 0.245714 Cl\n",
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"volume": 301.03916973755383,
"volume_molar": 18.129002544330813,
"formula_full": "Rb2 Dy1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-87262",
"created_at": "2022-09-04T14:36:15.645038Z",
"updated_at": "2022-09-04T14:36:15.645059Z",
"structure_string": "Li3 Al1 Mo2 As2 O14\n1.0\n5.088432 -0.078471 -1.081414\n-1.669379 5.173451 -0.572711\n0.046023 0.002218 9.478133\nLi Al Mo As O\n3 1 2 2 14\ndirect\n0.183795 0.384005 0.818398 Li\n0.816204 0.615996 0.181602 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Al\n0.497018 0.837241 0.354634 Mo\n0.502981 0.162760 0.645366 Mo\n0.155295 0.226582 0.176752 As\n0.844704 0.773418 0.823249 As\n0.720210 0.667833 0.410477 O\n0.441232 0.136959 0.823474 O\n0.844995 0.497366 0.709295 O\n0.279789 0.332167 0.589523 O\n0.867494 0.026037 0.729807 O\n0.155004 0.502634 0.290705 O\n0.446046 0.296244 0.108451 O\n0.558767 0.863042 0.176526 O\n0.322035 0.835253 0.538909 O\n0.677964 0.164747 0.461092 O\n0.124582 0.805012 0.963379 O\n0.553953 0.703757 0.891549 O\n0.875417 0.194989 0.036621 O\n0.132505 0.973963 0.270193 O\n",
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"elements": [
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],
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"density": 4.099063966562173,
"density_atomic": 0.08851767991964382,
"volume": 248.5379194300117,
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"formula_full": "Li3 Al1 Mo2 As2 O14",
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{
"id": "jvasp-52750",
"created_at": "2022-09-04T14:37:33.270904Z",
"updated_at": "2022-09-04T14:37:33.270924Z",
"structure_string": "Cr1 Ni1 F6\n1.0\n4.341212 0.033968 2.953620\n1.580673 4.043358 2.953620\n0.049334 0.033968 5.250481\nCr Ni F\n1 1 6\ndirect\n0.499999 0.500001 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n0.118237 0.398661 0.740861 F\n0.398660 0.740862 0.118238 F\n0.740860 0.118239 0.398661 F\n0.259137 0.881763 0.601340 F\n0.601338 0.259140 0.881762 F\n0.881761 0.601340 0.259139 F\n",
"nsites": 8,
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"density": 4.09903243548265,
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"volume": 91.01898781832914,
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"formula_full": "Cr1 Ni1 F6",
"formula_reduced": "CrNiF6",
"formula_anonymous": "ABC6",
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"spacegroup": 148
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{
"id": "jvasp-4816",
"created_at": "2022-09-04T14:37:09.864821Z",
"updated_at": "2022-09-04T14:37:09.864859Z",
"structure_string": "Y2 Si4\n1.0\n3.793571 0.000000 -1.093551\n-0.315231 3.780451 -1.093551\n0.261038 0.283711 8.032351\nY Si\n2 4\ndirect\n0.875000 0.625000 0.250000 Y\n0.125000 0.375000 0.750000 Y\n0.706061 0.956060 0.912121 Si\n0.456060 0.206060 0.412121 Si\n0.543940 0.793940 0.587879 Si\n0.293940 0.043940 0.087879 Si\n",
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"elements": [
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"density": 4.098808978750907,
"density_atomic": 0.051042474302936555,
"volume": 117.5491604186361,
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"formula_full": "Y2 Si4",
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{
"id": "jvasp-57834",
"created_at": "2022-09-04T14:37:10.329089Z",
"updated_at": "2022-09-04T14:37:10.329123Z",
"structure_string": "K1 Ni2 S2\n1.0\n3.664153 -0.000000 -1.038378\n-0.294264 3.652318 -1.038378\n-0.073698 -0.079874 6.724029\nK Ni S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500000 Ni\n0.749999 0.250001 0.500000 Ni\n0.349544 0.349545 0.699088 S\n0.650456 0.650457 0.300912 S\n",
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"elements": [
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"Ni",
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"density_atomic": 0.055942470824971495,
"volume": 89.37753242332853,
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"formula_full": "K1 Ni2 S2",
"formula_reduced": "K(NiS)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-16837",
"created_at": "2022-09-04T14:38:31.422082Z",
"updated_at": "2022-09-04T14:38:31.422110Z",
"structure_string": "Y2 Si4\n1.0\n3.793584 0.000000 -1.093554\n-0.315232 3.780463 -1.093554\n0.261035 0.283707 8.032364\nY Si\n2 4\ndirect\n0.875000 0.625000 0.250001 Y\n0.125001 0.375000 0.750000 Y\n0.706061 0.956060 0.912122 Si\n0.456060 0.206060 0.412121 Si\n0.543941 0.793940 0.587880 Si\n0.293940 0.043940 0.087879 Si\n",
"nsites": 6,
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"volume": 117.55009112323515,
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"formula_full": "Y2 Si4",
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},
{
"id": "jvasp-42846",
"created_at": "2022-09-04T14:36:18.268690Z",
"updated_at": "2022-09-04T14:36:18.268706Z",
"structure_string": "Pr1 Y1 Mg2\n1.0\n-0.000000 3.834946 3.834946\n3.834946 -0.000000 3.834946\n3.834946 3.834946 -0.000000\nPr Y Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"density_atomic": 0.03546110272524174,
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},
{
"id": "jvasp-111923",
"created_at": "2022-09-04T14:38:42.690072Z",
"updated_at": "2022-09-04T14:38:42.690102Z",
"structure_string": "Li4 Ni6 O2 F12\n1.0\n5.543691 -0.006718 2.119496\n0.319336 5.972181 2.575446\n-0.059686 0.011177 7.811783\nLi Ni O F\n4 6 2 12\ndirect\n0.316238 0.855772 0.468492 Li\n0.126114 0.301046 0.069506 Li\n0.873886 0.698955 0.930495 Li\n0.683762 0.144228 0.531509 Li\n0.781454 0.569634 0.655440 Ni\n0.925421 0.837139 0.220114 Ni\n0.352424 0.726079 0.931171 Ni\n0.647576 0.273921 0.068830 Ni\n0.074579 0.162861 0.779887 Ni\n0.218546 0.430366 0.344561 Ni\n0.068567 0.584906 0.136270 O\n0.931433 0.415094 0.863731 O\n0.539735 0.563061 0.133976 F\n0.095656 0.705778 0.436793 F\n0.460265 0.436939 0.866025 F\n0.626593 0.719354 0.438514 F\n0.771585 0.986713 0.000578 F\n0.173184 0.863510 0.727609 F\n0.323279 0.153316 0.270060 F\n0.676721 0.846684 0.729940 F\n0.826816 0.136490 0.272392 F\n0.228415 0.013287 0.999423 F\n0.373406 0.280646 0.561487 F\n0.904343 0.294222 0.563207 F\n",
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"formula_full": "Li4 Ni6 O2 F12",
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{
"id": "jvasp-12320",
"created_at": "2022-09-04T14:38:11.699157Z",
"updated_at": "2022-09-04T14:38:11.699175Z",
"structure_string": "Pb2 C4 S4 N4\n1.0\n5.900983 0.035330 0.170745\n2.217556 5.468574 0.170745\n-0.040796 -0.027657 8.137770\nPb C S N\n2 4 4 4\ndirect\n0.903147 0.096852 0.249999 Pb\n0.096853 0.903146 0.749999 Pb\n0.752885 0.487702 0.601822 C\n0.247115 0.512296 0.398176 C\n0.487703 0.752885 0.101822 C\n0.512296 0.247114 0.898176 C\n0.645908 0.767685 0.665705 S\n0.767686 0.645907 0.165705 S\n0.232314 0.354091 0.834293 S\n0.354092 0.232314 0.334293 S\n0.281780 0.834825 0.056186 N\n0.718220 0.165174 0.943813 N\n0.834825 0.281779 0.556186 N\n0.165175 0.718220 0.443813 N\n",
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{
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"created_at": "2022-09-04T14:38:53.194381Z",
"updated_at": "2022-09-04T14:38:53.194414Z",
"structure_string": "Y4 Fe1 S7\n1.0\n6.266710 -0.011021 1.584214\n5.126527 3.604234 1.584214\n0.054726 0.017260 11.394068\nY Fe S\n4 1 7\ndirect\n0.691631 0.691629 0.212934 Y\n0.304953 0.304952 0.800228 Y\n0.997476 0.997474 0.007497 Y\n0.113161 0.113160 0.563111 Y\n0.888624 0.888622 0.424370 Fe\n0.747172 0.747171 0.635404 S\n0.274280 0.274279 0.353856 S\n0.335057 0.335057 0.053972 S\n0.658708 0.658706 0.947446 S\n0.030101 0.030101 0.229147 S\n0.964349 0.964347 0.783695 S\n0.494498 0.494497 0.488338 S\n",
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"formula_full": "Y4 Fe1 S7",
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{
"id": "jvasp-94371",
"created_at": "2022-09-04T14:36:22.516057Z",
"updated_at": "2022-09-04T14:36:22.516077Z",
"structure_string": "Mg1 Ti5\n1.0\n2.939360 -0.000000 0.000000\n-1.469680 2.545560 -0.000000\n0.000000 -0.000000 14.276356\nMg Ti\n1 5\ndirect\n0.333333 0.666667 0.000000 Mg\n0.666667 0.333333 0.818827 Ti\n0.333333 0.666667 0.662477 Ti\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.337524 Ti\n0.666667 0.333333 0.181173 Ti\n",
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}
]
}