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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1128",
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"results": [
{
"id": "jvasp-19727",
"created_at": "2022-09-04T14:38:31.198715Z",
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"structure_string": "Si4 Rh4\n1.0\n4.738932 -0.000000 0.000000\n0.000000 4.738932 0.000000\n0.000000 0.000000 4.738932\nSi Rh\n4 4\ndirect\n0.159088 0.340911 0.659088 Si\n0.340911 0.659088 0.159088 Si\n0.659088 0.159088 0.340911 Si\n0.840911 0.840911 0.840911 Si\n0.846015 0.653984 0.346016 Rh\n0.653984 0.346016 0.846015 Rh\n0.346016 0.846015 0.653984 Rh\n0.153984 0.153984 0.153984 Rh\n",
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{
"id": "jvasp-20654",
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"structure_string": "Si4 Rh4\n1.0\n0.000000 4.624867 -0.013791\n4.594932 0.000000 0.000000\n0.000000 -2.376474 -5.151113\nSi Rh\n4 4\ndirect\n0.784166 0.353145 0.052514 Si\n0.215835 0.853145 0.447486 Si\n0.215835 0.646854 0.947485 Si\n0.784166 0.146854 0.552514 Si\n0.299482 0.358835 0.623143 Rh\n0.700519 0.858834 0.876856 Rh\n0.700519 0.641165 0.376857 Rh\n0.299482 0.141165 0.123143 Rh\n",
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{
"id": "jvasp-35410",
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"structure_string": "Si1 Pt5 Pb1\n1.0\n4.027786 0.000000 -0.000000\n-0.000000 4.027786 -0.000000\n-0.000000 0.000000 7.327831\nSi Pt Pb\n1 5 1\ndirect\n0.000000 0.000000 0.500000 Si\n0.000000 0.500001 0.303740 Pt\n0.000000 0.500001 0.696260 Pt\n0.500001 0.000000 0.303740 Pt\n0.500001 0.000000 0.696260 Pt\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.000000 Pb\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Pb-Pt-Si",
"density": 16.911393384332985,
"density_atomic": 0.058882985177127305,
"volume": 118.87984243569062,
"volume_molar": 10.22730206677643,
"formula_full": "Si1 Pt5 Pb1",
"formula_reduced": "SiPt5Pb",
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"spacegroup": 123
},
{
"id": "jvasp-91690",
"created_at": "2022-09-04T14:36:15.123971Z",
"updated_at": "2022-09-04T14:36:15.123996Z",
"structure_string": "Si2 Pt6\n1.0\n0.000000 -0.000000 3.979129\n5.522226 -0.000000 0.000000\n0.000000 5.522226 0.000000\nSi Pt\n2 6\ndirect\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.318043 0.818043 Pt\n0.000000 0.681958 0.181957 Pt\n0.000000 0.181957 0.318043 Pt\n0.000000 0.818043 0.681958 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Pt-Si",
"density": 16.786580604047707,
"density_atomic": 0.06592856384068872,
"volume": 121.34345925282676,
"volume_molar": 9.134342399073091,
"formula_full": "Si2 Pt6",
"formula_reduced": "SiPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6473357,
"spacegroup": 127
},
{
"id": "jvasp-88946",
"created_at": "2022-09-04T14:36:18.883428Z",
"updated_at": "2022-09-04T14:36:18.883453Z",
"structure_string": "Si2 Pt6\n1.0\n4.764655 0.048624 -2.628161\n-3.105519 4.595142 -0.079127\n0.044701 -0.028032 5.546445\nSi Pt\n2 6\ndirect\n0.078299 0.287203 0.287204 Si\n0.921700 0.712796 0.712797 Si\n0.500000 0.725624 0.274375 Pt\n0.500000 0.274375 0.725626 Pt\n-0.000000 0.815648 0.184351 Pt\n-0.000000 0.184352 0.815649 Pt\n0.639004 0.281403 0.281404 Pt\n0.360996 0.718596 0.718597 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Pt-Si",
"density": 16.618167950697384,
"density_atomic": 0.06526713048330152,
"volume": 122.57318409374206,
"volume_molar": 9.226912100173845,
"formula_full": "Si2 Pt6",
"formula_reduced": "SiPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6315732,
"spacegroup": 12
},
{
"id": "jvasp-35269",
"created_at": "2022-09-04T14:37:29.512648Z",
"updated_at": "2022-09-04T14:37:29.512680Z",
"structure_string": "Si3 Pt6\n1.0\n3.283566 -5.687304 -0.000000\n3.283566 5.687304 0.000000\n0.000000 0.000000 3.631705\nSi Pt\n3 6\ndirect\n0.333334 0.666668 0.000000 Si\n0.666668 0.333334 0.000000 Si\n0.000000 0.000000 0.500001 Si\n0.622973 0.000001 0.500001 Pt\n0.000001 0.622973 0.500001 Pt\n0.377027 0.377027 0.500001 Pt\n0.718223 0.718223 0.000000 Pt\n0.000000 0.281778 0.000000 Pt\n0.281778 0.000000 0.000000 Pt\n",
"nsites": 9,
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"elements": [
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"density": 15.360918446735218,
"density_atomic": 0.06635134896976691,
"volume": 135.64155273016172,
"volume_molar": 9.076139149399957,
"formula_full": "Si3 Pt6",
"formula_reduced": "SiPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.299500466666667,
"spacegroup": 189
},
{
"id": "jvasp-19662",
"created_at": "2022-09-04T14:37:37.862483Z",
"updated_at": "2022-09-04T14:37:37.862509Z",
"structure_string": "Si1 Pt2\n1.0\n3.475002 0.000000 -1.918380\n-1.059044 3.309693 -1.918380\n0.013721 0.018797 4.131398\nSi Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Pt-Si",
"density": 14.539995946172198,
"density_atomic": 0.06280538161756294,
"volume": 47.76660729915982,
"volume_molar": 9.58857442610613,
"formula_full": "Si1 Pt2",
"formula_reduced": "SiPt2",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-18942",
"created_at": "2022-09-04T14:37:07.996793Z",
"updated_at": "2022-09-04T14:37:07.996808Z",
"structure_string": "Si4 Pt4\n1.0\n3.653857 0.000000 0.000000\n-0.000000 5.713382 0.000000\n0.000000 0.000000 5.985556\nSi Pt\n4 4\ndirect\n0.250000 0.679864 0.084340 Si\n0.750001 0.320136 0.915661 Si\n0.250000 0.179864 0.415660 Si\n0.750001 0.820136 0.584340 Si\n0.250000 0.490477 0.694697 Pt\n0.750001 0.509523 0.305304 Pt\n0.250000 0.990477 0.805304 Pt\n0.750001 0.009523 0.194696 Pt\n",
"nsites": 8,
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"elements": [
"Si",
"Pt"
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"chemical_system": "Pt-Si",
"density": 11.863002506376532,
"density_atomic": 0.06402368688760843,
"volume": 124.95375366376118,
"volume_molar": 9.406113663169194,
"formula_full": "Si4 Pt4",
"formula_reduced": "SiPt",
"formula_anonymous": "AB",
"energy_above_hull": 1.6235749999999998,
"spacegroup": 62
},
{
"id": "jvasp-59261",
"created_at": "2022-09-04T14:38:12.922807Z",
"updated_at": "2022-09-04T14:38:12.922833Z",
"structure_string": "Si4 P4 N12\n1.0\n9.414767 0.008066 0.013798\n0.004187 5.300650 -0.049043\n0.004187 -2.643470 4.594710\nSi P N\n4 4 12\ndirect\n0.750876 0.326839 0.006205 Si\n0.250876 0.006205 0.326838 Si\n0.002618 0.997558 0.680756 Si\n0.502618 0.680756 0.997558 Si\n0.748752 0.989310 0.326779 P\n0.497291 0.004599 0.662377 P\n0.248752 0.326778 0.989309 P\n0.997291 0.662378 0.004600 P\n0.966685 0.750513 0.773773 N\n0.921635 0.898636 0.338960 N\n0.177869 0.094554 0.665383 N\n0.677869 0.665384 0.094554 N\n0.671898 0.085110 0.656746 N\n0.466684 0.773773 0.750512 N\n0.428320 0.922124 0.340994 N\n0.421635 0.338960 0.898635 N\n0.217762 0.250285 0.228516 N\n0.171897 0.656746 0.085109 N\n0.717762 0.228517 0.250285 N\n0.928320 0.340995 0.922124 N\n",
"nsites": 20,
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"elements": [
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"P",
"N"
],
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"density": 2.943702440626412,
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"formula_full": "Si4 P4 N12",
"formula_reduced": "SiPN3",
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"spacegroup": 9
},
{
"id": "jvasp-100547",
"created_at": "2022-09-04T14:36:36.151142Z",
"updated_at": "2022-09-04T14:36:36.151163Z",
"structure_string": "Si2 P2 N6\n1.0\n4.700650 0.000000 0.000000\n0.000000 4.579730 2.605149\n0.000000 -0.008586 5.285319\nSi P N\n2 2 6\ndirect\n0.503502 0.326384 0.676924 Si\n0.003502 0.673615 0.323077 Si\n0.495890 0.994021 0.335106 P\n0.995890 0.005978 0.664895 P\n0.858088 0.331967 0.572069 N\n0.842243 0.915716 0.429688 N\n0.358088 0.668032 0.427932 N\n0.342242 0.084283 0.570313 N\n0.933477 0.769539 0.981349 N\n0.433477 0.230460 0.018652 N\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.9476196964316888,
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"volume": 113.88594643413039,
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"formula_full": "Si2 P2 N6",
"formula_reduced": "SiPN3",
"formula_anonymous": "ABC3",
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"spacegroup": 4
},
{
"id": "jvasp-37208",
"created_at": "2022-09-04T14:35:54.135265Z",
"updated_at": "2022-09-04T14:35:54.135294Z",
"structure_string": "Si1 Pd1 O3\n1.0\n3.592310 -0.000000 0.000000\n0.000000 3.592310 0.000000\n-0.000000 -0.000000 3.592310\nSi Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.537314057396482,
"density_atomic": 0.10785706114334473,
"volume": 46.35765101512339,
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"formula_full": "Si1 Pd1 O3",
"formula_reduced": "SiPdO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-86830",
"created_at": "2022-09-04T14:36:14.275014Z",
"updated_at": "2022-09-04T14:36:14.275039Z",
"structure_string": "Si3 Pd6\n1.0\n7.809656 0.000000 -0.000000\n-3.904828 6.763361 -0.000000\n-0.000000 -0.000000 2.765870\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n-0.000000 0.253877 0.000000 Pd\n0.602113 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n-0.000000 0.602113 0.000000 Pd\n0.397887 0.397887 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
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"formula_full": "Si3 Pd6",
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"formula_anonymous": "AB2",
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"spacegroup": 189
}
]
}