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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=453",
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"results": [
{
"id": "jvasp-2244",
"created_at": "2022-09-04T14:36:47.600378Z",
"updated_at": "2022-09-04T14:36:47.600403Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.162151 -0.001044 9.517693\n1.989250 3.656006 9.517693\n-0.001757 -0.001044 10.387973\nSb Te Se\n2 2 1\ndirect\n0.892919 0.892924 0.892919 Sb\n0.107079 0.107079 0.107079 Sb\n0.715906 0.715910 0.715907 Te\n0.284091 0.284093 0.284092 Te\n0.499999 0.500002 0.499999 Se\n",
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{
"id": "jvasp-29748",
"created_at": "2022-09-04T14:37:06.445103Z",
"updated_at": "2022-09-04T14:37:06.445128Z",
"structure_string": "Bi4 Br12\n1.0\n6.763950 0.123816 0.000000\n-2.686117 7.598949 0.000000\n0.000000 0.000000 9.783985\nBi Br\n4 12\ndirect\n0.011738 0.139644 0.793829 Bi\n0.988262 0.360356 0.293829 Bi\n0.988262 0.860356 0.206171 Bi\n0.011737 0.639644 0.706171 Bi\n0.331191 0.958155 0.759667 Br\n0.668809 0.541845 0.259667 Br\n0.668809 0.041845 0.240332 Br\n0.774760 0.832096 0.586337 Br\n0.774760 0.332096 0.913662 Br\n0.331191 0.458155 0.740332 Br\n0.225240 0.167905 0.413663 Br\n0.216360 0.193418 0.056296 Br\n0.783640 0.306582 0.556296 Br\n0.216360 0.693419 0.443703 Br\n0.225240 0.667905 0.086337 Br\n0.783640 0.806582 0.943703 Br\n",
"nsites": 16,
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"spacegroup": 14
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{
"id": "jvasp-35479",
"created_at": "2022-09-04T14:37:46.778305Z",
"updated_at": "2022-09-04T14:37:46.778327Z",
"structure_string": "Mn1 Al2 Te4\n1.0\n5.967051 -0.000000 0.000000\n0.000000 5.967051 0.000000\n-2.983526 -2.983526 6.219126\nMn Al Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.388797 0.388797 0.239444 Te\n0.850646 0.850646 0.239444 Te\n0.149353 0.611202 0.760556 Te\n0.611202 0.149353 0.760556 Te\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Al-Mn-Te",
"density": 4.644105843947384,
"density_atomic": 0.03161179702828946,
"volume": 221.4363199199238,
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"formula_full": "Mn1 Al2 Te4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 121
},
{
"id": "jvasp-100395",
"created_at": "2022-09-04T14:37:02.577761Z",
"updated_at": "2022-09-04T14:37:02.577788Z",
"structure_string": "Ge1 Te2 Pb1\n1.0\n4.473255 0.000000 -0.000000\n0.000000 4.473255 0.000000\n0.000000 0.000000 6.323325\nGe Te Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Te\n0.500001 0.500001 0.000000 Te\n0.500001 0.500001 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Te",
"Pb"
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"density": 7.02170424507096,
"density_atomic": 0.03161310657410279,
"volume": 126.52979834878896,
"volume_molar": 19.049506399770568,
"formula_full": "Ge1 Te2 Pb1",
"formula_reduced": "GeTe2Pb",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-121034",
"created_at": "2022-09-04T14:38:52.741499Z",
"updated_at": "2022-09-04T14:38:52.741520Z",
"structure_string": "Sr1 Se1 F1\n1.0\n5.024945 0.000000 0.000000\n-2.512472 4.351730 -0.000000\n-0.000000 -0.000000 4.339700\nSr Se F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.333333 0.666667 0.000000 Se\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.247308641566759,
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"volume": 94.89710478587753,
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-115190",
"created_at": "2022-09-04T14:38:43.130030Z",
"updated_at": "2022-09-04T14:38:43.130056Z",
"structure_string": "Li1 I2\n1.0\n4.212433 -0.444537 0.315498\n0.846062 -9.743180 -0.941057\n-0.866989 2.307847 -2.167794\nLi I\n1 2\ndirect\n0.031383 0.930224 -0.165650 Li\n0.691865 0.183915 0.663858 I\n0.370821 0.676493 0.004243 I\n",
"nsites": 3,
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"elements": [
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"volume": 94.8932374642371,
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"spacegroup": 12
},
{
"id": "jvasp-26385",
"created_at": "2022-09-04T14:37:48.086567Z",
"updated_at": "2022-09-04T14:37:48.086582Z",
"structure_string": "Sr4 I4 O2\n1.0\n5.986932 -0.000055 -2.597146\n-1.471962 6.464081 -3.393045\n-0.009404 -0.000045 8.177395\nSr I O\n4 4 2\ndirect\n0.909749 0.583274 0.819504 Sr\n0.090252 0.416726 0.180497 Sr\n0.590244 0.763768 0.180491 Sr\n0.409757 0.236232 0.819510 Sr\n0.349501 0.701559 0.699004 I\n0.849499 0.997443 0.698999 I\n0.650500 0.298441 0.300997 I\n0.150502 0.002557 0.301002 I\n0.250003 0.500000 0.000000 O\n0.749997 0.499999 -0.000000 O\n",
"nsites": 10,
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"elements": [
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"I",
"O"
],
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"density": 4.672822682442887,
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"volume": 316.30567017755095,
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"formula_full": "Sr4 I4 O2",
"formula_reduced": "Sr2I2O",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-111366",
"created_at": "2022-09-04T14:38:25.790276Z",
"updated_at": "2022-09-04T14:38:25.790295Z",
"structure_string": "In3 Bi1 Te4\n1.0\n6.639119 0.102420 -1.941494\n-3.705483 5.509791 -1.941494\n-0.053537 -0.102420 6.916967\nIn Bi Te\n3 1 4\ndirect\n0.500000 0.000000 0.500000 In\n-0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000001 In\n0.000000 0.000000 0.000000 Bi\n0.945004 0.445004 0.890010 Te\n0.554996 0.054996 0.109992 Te\n0.054996 0.945004 0.500001 Te\n0.445004 0.554996 0.500001 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Bi",
"Te"
],
"chemical_system": "Bi-In-Te",
"density": 6.981543878931883,
"density_atomic": 0.03161683057105403,
"volume": 253.02979000444762,
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"formula_full": "In3 Bi1 Te4",
"formula_reduced": "In3BiTe4",
"formula_anonymous": "AB3C4",
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"spacegroup": 97
},
{
"id": "jvasp-107800",
"created_at": "2022-09-04T14:36:33.918688Z",
"updated_at": "2022-09-04T14:36:33.918709Z",
"structure_string": "K2 Na1 La1 Cl6\n1.0\n6.623097 -0.000000 3.823847\n2.207699 6.244316 3.823847\n-0.000000 -0.000000 7.647693\nK Na La Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.746145 0.253855 0.253855 Cl\n0.253855 0.253855 0.746145 Cl\n0.253855 0.746146 0.746145 Cl\n0.253855 0.746146 0.253855 Cl\n0.746145 0.253855 0.746145 Cl\n0.746145 0.746146 0.253855 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.3773247862012736,
"density_atomic": 0.03161721159251502,
"volume": 316.2834259036105,
"volume_molar": 19.047033108465726,
"formula_full": "K2 Na1 La1 Cl6",
"formula_reduced": "K2NaLaCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-16286",
"created_at": "2022-09-04T14:37:27.974849Z",
"updated_at": "2022-09-04T14:37:27.974868Z",
"structure_string": "Tb2 Se2\n1.0\n2.086558 -3.614026 -0.000000\n2.086558 3.614026 -0.000000\n-0.000000 0.000000 8.388464\nTb Se\n2 2\ndirect\n0.666668 0.333333 0.477230 Tb\n0.333333 0.666668 -0.022770 Tb\n0.666668 0.333333 0.147770 Se\n0.333333 0.666668 0.647770 Se\n",
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},
{
"id": "jvasp-13982",
"created_at": "2022-09-04T14:36:59.946789Z",
"updated_at": "2022-09-04T14:36:59.946813Z",
"structure_string": "Tb2 Se2\n1.0\n2.086558 -3.614026 -0.000000\n2.086558 3.614026 -0.000000\n-0.000000 0.000000 8.388464\nTb Se\n2 2\ndirect\n0.666668 0.333333 0.477230 Tb\n0.333333 0.666668 -0.022770 Tb\n0.666668 0.333333 0.147770 Se\n0.333333 0.666668 0.647770 Se\n",
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{
"id": "jvasp-123910",
"created_at": "2022-09-04T14:38:26.042902Z",
"updated_at": "2022-09-04T14:38:26.042930Z",
"structure_string": "Ca1 Mg1\n1.0\n1.819995 -3.152328 0.000000\n1.819995 3.152328 0.000000\n-0.000000 0.000000 5.512529\nCa Mg\n1 1\ndirect\n0.666668 0.333335 0.750000 Ca\n0.333335 0.666668 0.250000 Mg\n",
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}