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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=913",
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"results": [
{
"id": "jvasp-10247",
"created_at": "2022-09-04T14:37:28.960522Z",
"updated_at": "2022-09-04T14:37:28.960547Z",
"structure_string": "Rb4 Li4 Si2 O8\n1.0\n5.487821 -0.008386 0.024820\n0.416728 5.638290 0.008015\n2.259027 0.799898 8.348583\nRb Li Si O\n4 4 2 8\ndirect\n0.471503 0.847312 0.734767 Rb\n0.528498 0.152688 0.265232 Rb\n0.789136 0.724576 0.020865 Rb\n0.210865 0.275423 0.979134 Rb\n0.929790 0.184335 0.437997 Li\n0.070211 0.815664 0.562002 Li\n0.696042 0.592548 0.420126 Li\n0.303959 0.407451 0.579873 Li\n0.853517 0.313948 0.721273 Si\n0.146484 0.686051 0.278726 Si\n0.001018 0.561584 0.719236 O\n-0.001016 0.438417 0.280763 O\n0.917672 0.866057 0.381937 O\n0.082329 0.133943 0.618062 O\n0.268886 0.794309 0.094015 O\n0.731115 0.205691 0.905984 O\n0.362416 0.641657 0.385668 O\n0.637585 0.358342 0.614331 O\n",
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{
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"structure_string": "K12 Sm4 B8 O24\n1.0\n7.146667 -0.000000 0.000000\n-0.000000 9.009954 0.000000\n0.000000 0.000000 11.150036\nK Sm B O\n12 4 8 24\ndirect\n0.504510 0.302728 0.597933 K\n0.495490 0.197272 0.097933 K\n0.004510 0.197272 0.097933 K\n0.504510 0.802728 0.902067 K\n0.750000 0.938089 0.633597 K\n0.995490 0.802728 0.902067 K\n0.995490 0.302728 0.597933 K\n0.004510 0.697272 0.402067 K\n0.750000 0.438089 0.866404 K\n0.250000 0.561910 0.133597 K\n0.250000 0.061910 0.366403 K\n0.495490 0.697272 0.402067 K\n0.250000 0.128190 0.830580 Sm\n0.750000 0.371810 0.330580 Sm\n0.750000 0.871809 0.169420 Sm\n0.250000 0.628190 0.669420 Sm\n0.750000 0.091045 0.883778 B\n0.750000 0.559695 0.123680 B\n0.250000 0.908954 0.116222 B\n0.750000 0.059695 0.376320 B\n0.250000 0.440305 0.876320 B\n0.750000 0.591045 0.616222 B\n0.250000 0.940305 0.623681 B\n0.250000 0.408954 0.383778 B\n0.080998 0.369272 0.329978 O\n0.919003 0.130728 0.829978 O\n0.750000 0.618532 0.241086 O\n0.250000 0.840529 0.530508 O\n0.919003 0.630728 0.670022 O\n0.750000 0.907798 0.387380 O\n0.250000 0.381467 0.758914 O\n0.250000 0.881467 0.741086 O\n0.250000 0.092201 0.612620 O\n0.419003 0.869272 0.170022 O\n0.750000 0.407798 0.112620 O\n0.250000 0.340529 0.969493 O\n0.080998 0.869272 0.170022 O\n0.750000 0.509510 0.509947 O\n0.250000 0.490489 0.490053 O\n0.750000 0.009511 0.990054 O\n0.419003 0.369272 0.329978 O\n0.750000 0.159470 0.469493 O\n0.250000 0.592201 0.887381 O\n0.580998 0.630728 0.670022 O\n0.750000 0.659470 0.030508 O\n0.580998 0.130728 0.829978 O\n0.250000 0.990489 0.009947 O\n0.750000 0.118533 0.258914 O\n",
"nsites": 48,
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],
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"formula_full": "K12 Sm4 B8 O24",
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},
{
"id": "jvasp-57343",
"created_at": "2022-09-04T14:38:17.012576Z",
"updated_at": "2022-09-04T14:38:17.012611Z",
"structure_string": "K1 Mn1 Se2 O8\n1.0\n4.855671 -0.050757 0.034287\n1.860950 4.653844 0.024769\n0.654799 0.783744 7.807023\nK Mn Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.612103 0.624365 0.207199 Se\n0.387898 0.375633 0.792801 Se\n0.236587 0.768110 0.188592 O\n0.239459 0.234460 0.969099 O\n0.680823 0.692108 0.393886 O\n0.718830 0.272124 0.192248 O\n0.760542 0.765537 0.030901 O\n0.319178 0.307890 0.606114 O\n0.281171 0.727873 0.807752 O\n0.763414 0.231888 0.811408 O\n",
"nsites": 12,
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"formula_full": "K1 Mn1 Se2 O8",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-47472",
"created_at": "2022-09-04T14:36:58.893613Z",
"updated_at": "2022-09-04T14:36:58.893641Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n",
"nsites": 14,
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"density_atomic": 0.09763001876250843,
"volume": 143.3985179707477,
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"formula_full": "Li2 Cr2 P2 O8",
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"spacegroup": 63
},
{
"id": "jvasp-34452",
"created_at": "2022-09-04T14:37:09.952738Z",
"updated_at": "2022-09-04T14:37:09.952760Z",
"structure_string": "K2 Te2 H2 O2 F8\n1.0\n0.000000 4.963897 -0.060581\n6.666590 0.000000 0.000000\n0.000000 -2.116143 -7.285734\nK Te H O F\n2 2 2 2 8\ndirect\n0.656722 0.923352 0.299030 K\n0.343279 0.423352 0.700970 K\n0.945502 0.867467 0.832417 Te\n0.054499 0.367467 0.167583 Te\n0.744523 0.401535 0.372482 H\n0.255478 0.901535 0.627517 H\n0.930128 0.335497 0.386067 O\n0.069873 0.835497 0.613932 O\n0.898158 0.648649 0.161837 F\n0.666482 0.268217 0.038407 F\n0.421238 0.468540 0.361282 F\n0.578763 0.968540 0.638717 F\n0.844755 0.571743 0.775839 F\n0.101843 0.148649 0.838162 F\n0.155246 0.071743 0.224161 F\n0.333519 0.768217 0.961593 F\n",
"nsites": 16,
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"density_atomic": 0.06612770051184581,
"volume": 241.956092169481,
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"formula_full": "K2 Te2 H2 O2 F8",
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{
"id": "jvasp-115610",
"created_at": "2022-09-04T14:38:47.761919Z",
"updated_at": "2022-09-04T14:38:47.761947Z",
"structure_string": "Ca1 Be1 Br2\n1.0\n3.511315 0.000000 0.000000\n0.000000 3.511315 -0.000000\n0.000000 -0.000000 7.892535\nCa Be Br\n1 1 2\ndirect\n0.500001 0.500001 0.638919 Ca\n0.000000 0.000000 0.906273 Be\n0.000000 0.000000 0.424739 Br\n0.500001 0.500001 0.040069 Br\n",
"nsites": 4,
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],
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"formula_full": "Ca1 Be1 Br2",
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"spacegroup": 99
},
{
"id": "jvasp-48806",
"created_at": "2022-09-04T14:36:05.417324Z",
"updated_at": "2022-09-04T14:36:05.417352Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n0.000000 4.447063 -0.026703\n4.784250 0.000000 0.000000\n0.000000 -4.276171 -11.435905\nLi V O F\n4 4 4 12\ndirect\n0.956736 0.746576 0.945020 Li\n0.043263 0.253424 0.054980 Li\n0.956736 0.753424 0.445020 Li\n0.043263 0.246576 0.554979 Li\n0.345405 0.275238 0.315264 V\n0.654595 0.724762 0.684735 V\n0.654595 0.775238 0.184736 V\n0.345404 0.224762 0.815264 V\n0.442523 0.435618 0.701801 O\n0.557476 0.935618 0.798198 O\n0.442523 0.064382 0.201801 O\n0.557476 0.564382 0.298198 O\n0.815990 0.907846 0.068445 F\n0.043959 0.572175 0.806449 F\n0.184009 0.092154 0.931555 F\n0.325943 0.586689 0.066873 F\n0.674057 0.086689 0.433127 F\n0.815990 0.592154 0.568444 F\n0.956040 0.072175 0.693550 F\n0.043959 0.927825 0.306449 F\n0.325943 0.913311 0.566873 F\n0.184009 0.407846 0.431555 F\n0.674057 0.413311 0.933127 F\n0.956040 0.427825 0.193550 F\n",
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"elements": [
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"formula_full": "Li4 V4 O4 F12",
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{
"id": "jvasp-58402",
"created_at": "2022-09-04T14:37:33.628697Z",
"updated_at": "2022-09-04T14:37:33.628714Z",
"structure_string": "Li8 Tb1 O6\n1.0\n5.019817 0.028926 3.734580\n1.892338 4.649565 3.734580\n0.042735 0.028926 6.256502\nTb Li O\n1 8 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.355850 0.355850 0.355849 Li\n0.506190 0.898087 0.225865 Li\n0.225866 0.506190 0.898086 Li\n0.898088 0.225866 0.506188 Li\n0.493812 0.101914 0.774134 Li\n0.774136 0.493811 0.101913 Li\n0.644151 0.644151 0.644149 Li\n0.101914 0.774135 0.493810 Li\n0.244375 0.897170 0.599202 O\n0.102831 0.400798 0.755625 O\n0.755627 0.102831 0.400796 O\n0.599204 0.244375 0.897169 O\n0.897171 0.599203 0.244373 O\n0.400798 0.755626 0.102829 O\n",
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{
"id": "jvasp-118350",
"created_at": "2022-09-04T14:38:49.969251Z",
"updated_at": "2022-09-04T14:38:49.969273Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n5.011884 -0.000000 0.000000\n-2.505942 4.340419 -0.000000\n0.000000 -0.000000 3.683503\nSr Zn F\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Sr\n0.666667 0.333334 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Sr1 Zn1 F1",
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},
{
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"created_at": "2022-09-04T14:38:03.207685Z",
"updated_at": "2022-09-04T14:38:03.207737Z",
"structure_string": "K2 Ge2 Br6\n1.0\n0.000000 5.889662 0.185330\n7.498218 0.000000 0.000000\n0.000000 -3.184281 -7.513878\nK Ge Br\n2 2 6\ndirect\n0.139124 0.750000 0.816366 K\n0.860876 0.250000 0.183635 K\n0.443393 0.750000 0.408347 Ge\n0.556607 0.250000 0.591653 Ge\n0.360410 0.007247 0.184471 Br\n0.639590 0.507247 0.815529 Br\n0.000097 0.250000 0.617993 Br\n-0.000097 0.750000 0.382007 Br\n0.639590 0.992754 0.815529 Br\n0.360410 0.492753 0.184471 Br\n",
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"volume": 327.40263263327904,
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"formula_full": "K2 Ge2 Br6",
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"spacegroup": 11
},
{
"id": "jvasp-9382",
"created_at": "2022-09-04T14:38:13.578028Z",
"updated_at": "2022-09-04T14:38:13.578047Z",
"structure_string": "K3 Zn2 F7\n1.0\n4.016945 -0.000000 -0.756551\n-0.142488 4.014418 -0.756551\n-0.006168 -0.006391 11.009619\nK Zn F\n3 2 7\ndirect\n0.315320 0.315321 0.630641 K\n0.684680 0.684680 0.369359 K\n0.500000 0.500000 0.000000 K\n0.097002 0.097002 0.194004 Zn\n0.902998 0.902999 0.805996 Zn\n0.000000 0.000000 0.000000 F\n0.404896 0.904897 0.809791 F\n0.904896 0.404896 0.809791 F\n0.595105 0.095104 0.190209 F\n0.095104 0.595104 0.190209 F\n0.192899 0.192899 0.385799 F\n0.807102 0.807102 0.614202 F\n",
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"volume": 177.49892826238,
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"formula_full": "K3 Zn2 F7",
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{
"id": "jvasp-106846",
"created_at": "2022-09-04T14:36:45.906602Z",
"updated_at": "2022-09-04T14:36:45.906622Z",
"structure_string": "Ba1 Ga2 Si1 S6\n1.0\n5.993393 0.022882 -1.400718\n-1.176347 6.048658 -1.052870\n-0.049526 0.041928 6.385950\nBa Ga Si S\n1 2 1 6\ndirect\n0.469521 0.457671 0.443441 Ba\n0.998026 0.845686 0.265994 Ga\n0.263455 0.984416 0.858410 Ga\n0.844882 0.274512 0.995552 Si\n0.036739 0.711036 0.581899 S\n0.591320 0.049761 0.734940 S\n0.711954 0.575882 0.017470 S\n0.896590 0.190434 0.313701 S\n0.345240 0.899780 0.198530 S\n0.158311 0.326867 0.906104 S\n",
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"volume": 231.59050092570433,
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"formula_full": "Ba1 Ga2 Si1 S6",
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"formula_anonymous": "ABC2D6",
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}
]
}