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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=935",
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"results": [
{
"id": "jvasp-111921",
"created_at": "2022-09-04T14:38:49.992178Z",
"updated_at": "2022-09-04T14:38:49.992196Z",
"structure_string": "Li4 Mn4 F14\n1.0\n5.322276 0.007082 0.549579\n-1.726167 5.034582 0.549579\n0.017554 0.024610 9.544617\nLi Mn F\n4 4 14\ndirect\n0.811984 0.752521 0.704778 Li\n0.752522 0.811984 0.204778 Li\n0.247477 0.188015 0.795223 Li\n0.188015 0.247478 0.295223 Li\n0.698201 0.292821 0.037791 Mn\n0.707178 0.301799 0.462210 Mn\n0.292821 0.698200 0.537791 Mn\n0.301798 0.707178 0.962210 Mn\n0.400981 0.364928 0.127738 F\n0.046552 0.328499 0.929552 F\n0.836636 0.163364 0.250000 F\n0.510359 0.118898 0.883621 F\n0.364928 0.400980 0.627739 F\n0.635071 0.599019 0.372262 F\n0.599018 0.635071 0.872262 F\n0.163363 0.836635 0.750000 F\n0.953447 0.671500 0.070449 F\n0.118897 0.510359 0.383621 F\n0.881102 0.489640 0.616380 F\n0.671500 0.953446 0.570449 F\n0.489640 0.881101 0.116380 F\n0.328499 0.046553 0.429552 F\n",
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{
"id": "jvasp-21781",
"created_at": "2022-09-04T14:38:36.337200Z",
"updated_at": "2022-09-04T14:38:36.337222Z",
"structure_string": "Na2 Sm4 Ir2 O12\n1.0\n0.000000 5.466014 -0.002690\n5.945628 0.000000 0.000000\n0.000000 -5.287833 -7.865945\nNa Sm Ir O\n2 4 2 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.778233 0.078657 0.253505 Sm\n0.221766 0.578658 0.246495 Sm\n0.778233 0.421343 0.753504 Sm\n0.221766 0.921343 0.746495 Sm\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.142837 0.825620 0.444194 O\n0.857162 0.325620 0.055806 O\n0.605931 0.448668 0.234580 O\n0.394068 0.948668 0.265420 O\n0.394068 0.551332 0.765419 O\n0.270333 0.213242 0.930140 O\n0.729667 0.786758 0.069859 O\n0.270333 0.286758 0.430141 O\n0.142837 0.674380 0.944194 O\n0.729667 0.713242 0.569859 O\n0.605931 0.051332 0.734580 O\n0.857162 0.174380 0.555805 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.07821084215223416,
"volume": 255.71902116935183,
"volume_molar": 7.699879702456283,
"formula_full": "Na2 Sm4 Ir2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-42632",
"created_at": "2022-09-04T14:36:08.132311Z",
"updated_at": "2022-09-04T14:36:08.132339Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n4.994036 -0.069242 1.242615\n-0.159591 4.991766 1.243239\n0.110420 0.111259 10.318664\nLi Mn Si O\n4 2 4 12\ndirect\n0.931596 0.365898 0.166333 Li\n0.847549 0.781506 0.334823 Li\n0.217254 0.151209 0.666129 Li\n0.632863 0.067171 0.834617 Li\n0.788697 0.210063 0.500474 Mn\n0.038353 -0.039589 0.000472 Mn\n0.449527 0.027848 0.166055 Si\n0.365038 0.443816 0.334893 Si\n0.554937 0.633725 0.666063 Si\n-0.029095 0.549235 0.834901 Si\n0.242478 0.727627 0.721969 O\n0.714116 0.699233 0.779134 O\n0.553385 0.313333 0.672779 O\n0.690733 0.826714 0.514274 O\n0.172043 0.308033 0.486682 O\n0.408491 0.043328 0.014039 O\n0.299529 0.284634 0.221825 O\n0.271136 0.756276 0.278988 O\n0.763110 0.022830 0.173018 O\n-0.024075 0.235653 0.827936 O\n0.685429 0.445377 0.328176 O\n0.955417 0.590268 -0.013082 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.08603385471500155,
"volume": 255.7132895286151,
"volume_molar": 6.999733744290701,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 43
},
{
"id": "jvasp-12550",
"created_at": "2022-09-04T14:38:11.287029Z",
"updated_at": "2022-09-04T14:38:11.287052Z",
"structure_string": "Na6 S2 Cl1 O8 F1\n1.0\n6.170011 -0.000000 3.562258\n2.056671 5.817142 3.562258\n0.000000 0.000000 7.124515\nNa S Cl O F\n6 2 1 8 1\ndirect\n0.222604 0.777396 0.222604 Na\n0.222604 0.777396 0.777397 Na\n0.777396 0.777396 0.222604 Na\n0.777396 0.222604 0.222604 Na\n0.777396 0.222604 0.777397 Na\n0.222604 0.222604 0.777397 Na\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750001 S\n0.500000 0.500000 0.500001 Cl\n0.835224 0.835224 0.835225 O\n0.835224 0.835224 0.494329 O\n0.494328 0.835224 0.835225 O\n0.835224 0.494328 0.835225 O\n0.505672 0.164776 0.164776 O\n0.164776 0.505672 0.164777 O\n0.164776 0.164776 0.505672 O\n0.164776 0.164776 0.164776 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
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"elements": [
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"Cl",
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"F"
],
"chemical_system": "Cl-F-Na-O-S",
"density": 2.4969607878131383,
"density_atomic": 0.07039172309936803,
"volume": 255.7118821283919,
"volume_molar": 8.555183045453914,
"formula_full": "Na6 S2 Cl1 O8 F1",
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{
"id": "jvasp-118972",
"created_at": "2022-09-04T14:38:31.261489Z",
"updated_at": "2022-09-04T14:38:31.261504Z",
"structure_string": "Yb3 Ga9 Pt2\n1.0\n7.800847 0.025777 -2.375024\n-0.827795 4.040302 -7.034581\n-0.002042 -0.025777 8.154382\nYb Ga Pt\n3 9 2\ndirect\n0.500001 0.500000 0.000000 Yb\n0.195841 0.195841 0.000000 Yb\n0.804160 0.804159 0.000001 Yb\n0.643490 0.363157 0.280333 Ga\n0.356511 0.636842 0.719667 Ga\n0.082824 0.363156 0.719667 Ga\n0.917178 0.636843 0.280334 Ga\n0.529034 0.159624 0.369410 Ga\n0.470967 0.840376 0.630590 Ga\n0.790214 0.159624 0.630590 Ga\n0.209787 0.840376 0.369410 Ga\n0.000000 0.499999 0.500000 Ga\n0.190937 -0.000000 0.190937 Pt\n0.809063 -0.000000 0.809063 Pt\n",
"nsites": 14,
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"elements": [
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"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Yb",
"density": 9.980181614958962,
"density_atomic": 0.05475218355277299,
"volume": 255.69756476481115,
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"formula_full": "Yb3 Ga9 Pt2",
"formula_reduced": "Yb3Ga9Pt2",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-64719",
"created_at": "2022-09-04T14:35:41.662543Z",
"updated_at": "2022-09-04T14:35:41.662569Z",
"structure_string": "Ba4 Y1 Nb1\n1.0\n-0.000000 5.037542 5.037542\n5.037542 -0.000000 5.037542\n5.037542 5.037542 -0.000000\nBa Y Nb\n4 1 1\ndirect\n0.126484 0.624505 0.624505 Ba\n0.624505 0.624505 0.624505 Ba\n0.624505 0.126484 0.624505 Ba\n0.624505 0.624505 0.126484 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Nb\n",
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"density_atomic": 0.023467412895845523,
"volume": 255.67368787644207,
"volume_molar": 25.661715617003996,
"formula_full": "Ba4 Y1 Nb1",
"formula_reduced": "Ba4YNb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-90086",
"created_at": "2022-09-04T14:35:49.632787Z",
"updated_at": "2022-09-04T14:35:49.632825Z",
"structure_string": "K6 Tc3\n1.0\n0.000000 0.000000 -2.750201\n-5.179558 -8.971257 0.000000\n-5.182146 8.972753 0.000000\nK Tc\n6 3\ndirect\n0.000000 0.654419 0.000000 K\n0.000000 0.345646 0.345639 K\n0.000000 0.000007 0.654361 K\n0.500000 0.321018 0.000000 K\n0.500000 0.678911 0.678946 K\n0.500000 0.999965 0.321054 K\n0.000000 0.999950 0.000000 Tc\n0.500000 0.333322 0.666657 Tc\n0.500000 0.666663 0.333343 Tc\n",
"nsites": 9,
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"volume": 255.67314595880435,
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"spacegroup": 189
},
{
"id": "jvasp-30401",
"created_at": "2022-09-04T14:38:06.675658Z",
"updated_at": "2022-09-04T14:38:06.675668Z",
"structure_string": "V4 O4 F12\n1.0\n-4.888713 0.078020 0.428728\n0.067094 -5.650343 -0.119578\n-0.720284 0.223263 9.324928\nV O F\n4 4 12\ndirect\n0.775142 0.534406 0.777605 V\n0.531524 0.959976 0.530198 V\n0.278690 0.460567 0.277112 V\n0.025757 0.978151 0.025616 V\n0.877939 0.752732 0.878525 O\n0.630528 0.760858 0.630182 O\n0.370862 0.249292 0.365556 O\n0.121524 0.777522 0.120392 O\n0.174427 -0.013320 0.592777 F\n0.303676 0.021270 0.882401 F\n0.380641 0.724752 0.383581 F\n0.416693 0.511716 0.838780 F\n0.556612 0.508196 0.134759 F\n0.859995 0.283792 0.866335 F\n0.672695 0.020100 0.094213 F\n0.803583 -0.017193 0.383050 F\n0.126923 0.256178 0.123731 F\n0.924626 0.496846 0.345698 F\n0.620204 0.230128 0.618781 F\n0.047952 0.504034 0.630717 F\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-85960",
"created_at": "2022-09-04T14:35:52.322761Z",
"updated_at": "2022-09-04T14:35:52.322789Z",
"structure_string": "La4 Pd4 O10\n1.0\n5.653002 0.000000 0.000000\n0.000000 6.724680 -0.000000\n0.000000 0.000000 6.724680\nLa Pd O\n4 4 10\ndirect\n0.500000 0.107271 0.737076 La\n0.000000 0.737076 0.892729 La\n0.500000 0.892729 0.262924 La\n0.000000 0.262924 0.107271 La\n0.000000 0.309003 0.595305 Pd\n0.500000 0.404695 0.309003 Pd\n0.000000 0.690997 0.404695 Pd\n0.500000 0.595305 0.690997 Pd\n0.742092 0.800242 0.594621 O\n0.242092 0.594621 0.199758 O\n0.757908 0.594621 0.199758 O\n0.750000 0.000000 0.000000 O\n0.257908 0.800242 0.594621 O\n0.742092 0.199758 0.405379 O\n0.757908 0.405379 0.800242 O\n0.250000 0.000000 0.000000 O\n0.257908 0.199758 0.405379 O\n0.242092 0.405379 0.800242 O\n",
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"formula_full": "La4 Pd4 O10",
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{
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"created_at": "2022-09-04T14:35:43.746150Z",
"updated_at": "2022-09-04T14:35:43.746175Z",
"structure_string": "Ba4 Mg1 Ge1\n1.0\n0.000000 5.037261 5.037261\n5.037261 0.000000 5.037261\n5.037261 5.037261 0.000000\nBa Mg Ge\n4 1 1\ndirect\n0.128833 0.623722 0.623722 Ba\n0.623722 0.623722 0.623722 Ba\n0.623722 0.128833 0.623722 Ba\n0.623722 0.623722 0.128833 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ge\n",
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},
{
"id": "jvasp-9688",
"created_at": "2022-09-04T14:38:12.689258Z",
"updated_at": "2022-09-04T14:38:12.689279Z",
"structure_string": "Al4 Zn2 S8\n1.0\n6.169262 -0.000000 3.561825\n2.056421 5.816436 3.561825\n-0.000000 -0.000000 7.123650\nAl Zn S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.875001 Zn\n0.259548 0.259548 0.721355 S\n0.740452 0.740453 0.740453 S\n0.259548 0.259548 0.259548 S\n0.740452 0.740453 0.278646 S\n0.278645 0.740453 0.740453 S\n0.740452 0.278645 0.740453 S\n0.721355 0.259548 0.259549 S\n0.259548 0.721356 0.259549 S\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-86559",
"created_at": "2022-09-04T14:35:44.296800Z",
"updated_at": "2022-09-04T14:35:44.296812Z",
"structure_string": "La4 Pd4 O10\n1.0\n5.652756 0.000000 0.000000\n0.000000 6.724550 0.000000\n0.000000 -0.000000 6.724550\nLa Pd O\n4 4 10\ndirect\n0.500000 0.107272 0.737006 La\n0.000000 0.737006 0.892728 La\n0.500000 0.892728 0.262994 La\n0.000000 0.262994 0.107272 La\n0.000000 0.309013 0.595314 Pd\n0.500000 0.404686 0.309013 Pd\n0.000000 0.690987 0.404686 Pd\n0.500000 0.595314 0.690987 Pd\n0.742101 0.800247 0.594607 O\n0.242101 0.594607 0.199753 O\n0.757900 0.594607 0.199753 O\n0.750000 0.000000 0.000000 O\n0.257899 0.800247 0.594607 O\n0.742101 0.199753 0.405393 O\n0.757900 0.405393 0.800247 O\n0.250000 0.000000 0.000000 O\n0.257899 0.199753 0.405393 O\n0.242101 0.405393 0.800247 O\n",
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}
]
}