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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1081",
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{
"id": "jvasp-33908",
"created_at": "2022-09-04T14:38:36.099844Z",
"updated_at": "2022-09-04T14:38:36.099878Z",
"structure_string": "Te12 Mo8 S4\n1.0\n-1.909133 -2.902216 -0.000411\n-0.000459 -0.001565 14.238257\n-8.050114 9.453689 0.001756\nTe Mo S\n12 8 4\ndirect\n0.644338 0.389532 0.644326 Te\n0.105648 0.889516 0.605646 Te\n0.917516 0.111439 0.417520 Te\n0.583250 0.875436 0.083249 Te\n0.407660 0.380934 0.907668 Te\n0.395433 0.124308 0.895429 Te\n0.592090 0.618296 0.092098 Te\n0.342325 0.880925 0.342309 Te\n0.166735 0.375441 0.166725 Te\n0.157927 0.118300 0.157928 Te\n0.354575 0.624294 0.354591 Te\n0.832508 0.611430 0.832510 Te\n0.332657 0.243657 0.332648 Mo\n0.677896 0.751945 0.677909 Mo\n0.813087 0.256303 0.813089 Mo\n0.936910 0.756287 0.436908 Mo\n0.072105 0.251960 0.572090 Mo\n0.417345 0.743650 0.917351 Mo\n0.574398 0.248025 0.074395 Mo\n0.175605 0.748020 0.175608 Mo\n0.906102 0.347459 0.406077 S\n0.095613 0.652690 0.595630 S\n0.654398 0.152709 0.654388 S\n0.843887 0.847450 0.843900 S\n",
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"formula_full": "Te12 Mo8 S4",
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{
"id": "jvasp-18779",
"created_at": "2022-09-04T14:37:00.230269Z",
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"structure_string": "U1 Sn1 Pt1\n1.0\n4.075585 -0.000000 2.353039\n1.358528 3.842497 2.353039\n0.000000 0.000000 4.706079\nU Sn Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Pt\n",
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"formula_full": "U1 Sn1 Pt1",
"formula_reduced": "USnPt",
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},
{
"id": "jvasp-15210",
"created_at": "2022-09-04T14:36:42.459456Z",
"updated_at": "2022-09-04T14:36:42.459474Z",
"structure_string": "Tm1 Sn1 Au1\n1.0\n4.075567 -0.000000 2.353030\n1.358523 3.842481 2.353030\n-0.000000 0.000000 4.706060\nTm Sn Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
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],
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"density": 10.919052182179389,
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"volume": 73.69825853001296,
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"formula_full": "Tm1 Sn1 Au1",
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"spacegroup": 216
},
{
"id": "jvasp-109156",
"created_at": "2022-09-04T14:38:20.230720Z",
"updated_at": "2022-09-04T14:38:20.230742Z",
"structure_string": "Na4 Se1 S1\n1.0\n4.702609 -0.000000 0.000000\n0.000000 4.702609 0.000000\n-0.000000 -0.000000 6.664719\nNa Se S\n4 1 1\ndirect\n0.500000 0.000000 0.757381 Na\n-0.000000 0.500000 0.242619 Na\n0.500000 0.000000 0.242619 Na\n-0.000000 0.500000 0.757381 Na\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Na-S-Se",
"density": 2.2869226945075187,
"density_atomic": 0.040709115435237725,
"volume": 147.38713764353653,
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"formula_full": "Na4 Se1 S1",
"formula_reduced": "Na4SeS",
"formula_anonymous": "ABC4",
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"spacegroup": 123
},
{
"id": "jvasp-110033",
"created_at": "2022-09-04T14:38:37.336037Z",
"updated_at": "2022-09-04T14:38:37.336061Z",
"structure_string": "Sm1 Mg5\n1.0\n7.016512 0.035330 1.607399\n6.269575 3.150416 1.607399\n-0.019106 -0.004581 6.730367\nSm Mg\n1 5\ndirect\n0.499999 0.500001 0.500000 Sm\n0.174476 0.174477 0.669657 Mg\n0.830487 0.830491 0.844576 Mg\n0.499999 0.500001 0.000000 Mg\n0.169510 0.169511 0.155425 Mg\n0.825521 0.825524 0.330344 Mg\n",
"nsites": 6,
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"spacegroup": 12
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{
"id": "jvasp-3159",
"created_at": "2022-09-04T14:35:51.317652Z",
"updated_at": "2022-09-04T14:35:51.317684Z",
"structure_string": "Rb2 Pd3 S4\n1.0\n6.056576 -0.013619 -1.330118\n-3.369496 5.032626 -1.330058\n-0.028639 -0.053421 7.292227\nRb Pd S\n2 3 4\ndirect\n0.842515 0.842515 0.685030 Rb\n0.157486 0.157486 0.314970 Rb\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.214481 0.550076 0.764552 S\n0.449929 0.785524 0.235448 S\n0.550071 0.214477 0.764552 S\n0.785519 0.449924 0.235448 S\n",
"nsites": 9,
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"spacegroup": 69
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{
"id": "jvasp-53466",
"created_at": "2022-09-04T14:38:32.540833Z",
"updated_at": "2022-09-04T14:38:32.540862Z",
"structure_string": "Na2 Pr2 S4\n1.0\n-5.747834 0.000079 -0.000960\n0.000034 -5.747875 -0.001886\n2.872726 2.871851 5.949269\nNa Pr S\n2 2 4\ndirect\n0.748743 0.247521 0.499333 Na\n0.498838 0.497470 0.999283 Na\n0.998784 0.997475 -0.000712 Pr\n0.248731 0.747463 0.499263 Pr\n0.758606 0.757332 0.519016 S\n0.008675 0.507335 0.019029 S\n0.238852 0.237595 0.479517 S\n0.488906 0.987596 0.979534 S\n",
"nsites": 8,
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"elements": [
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"Pr",
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"density": 3.853850422861335,
"density_atomic": 0.040711647390051224,
"volume": 196.50396171280886,
"volume_molar": 14.792181466652321,
"formula_full": "Na2 Pr2 S4",
"formula_reduced": "NaPrS2",
"formula_anonymous": "ABC2",
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"spacegroup": 141
},
{
"id": "jvasp-120972",
"created_at": "2022-09-04T14:38:54.791515Z",
"updated_at": "2022-09-04T14:38:54.791543Z",
"structure_string": "Rb1 Mo1 Cl1\n1.0\n5.375328 0.000000 -0.000000\n-2.687664 4.655171 0.000000\n0.000000 0.000000 2.944827\nRb Mo Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Rb\n0.333334 0.666666 0.000000 Mo\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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],
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"formula_full": "Rb1 Mo1 Cl1",
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},
{
"id": "jvasp-113665",
"created_at": "2022-09-04T14:38:48.204773Z",
"updated_at": "2022-09-04T14:38:48.204802Z",
"structure_string": "Li2 Br2\n1.0\n3.952426 -0.321994 -0.803995\n-2.005360 -3.421489 0.954184\n0.069554 -0.162816 -6.924498\nLi Br\n2 2\ndirect\n0.924372 0.006467 0.919606 Li\n0.424029 0.505860 0.419653 Li\n0.553675 0.383886 0.044953 Br\n0.053405 0.883326 0.544938 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Li",
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},
{
"id": "jvasp-68414",
"created_at": "2022-09-04T14:35:50.045159Z",
"updated_at": "2022-09-04T14:35:50.045196Z",
"structure_string": "Be1 Te2 Se1\n1.0\n3.336276 0.000000 0.000000\n0.000000 3.336276 0.000000\n0.000000 0.000000 8.827013\nBe Te Se\n1 2 1\ndirect\n-0.000000 -0.000000 0.667428 Be\n-0.000000 -0.000000 0.939648 Te\n0.500001 0.500001 0.293546 Te\n0.500001 0.500001 0.599375 Se\n",
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"formula_full": "Be1 Te2 Se1",
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},
{
"id": "jvasp-29580",
"created_at": "2022-09-04T14:37:57.345721Z",
"updated_at": "2022-09-04T14:37:57.345747Z",
"structure_string": "Zr2 Cl6\n1.0\n6.137804 0.000000 -0.000000\n-3.068902 5.315494 0.000000\n-0.000000 0.000000 6.022753\nZr Cl\n2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 -0.000000 Zr\n0.670627 0.670627 0.250253 Cl\n0.329372 0.329372 0.749747 Cl\n-0.000000 0.329372 0.250253 Cl\n0.329372 0.000000 0.250253 Cl\n0.670627 0.000000 0.749747 Cl\n-0.000000 0.670627 0.749747 Cl\n",
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"formula_full": "Zr2 Cl6",
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},
{
"id": "jvasp-112392",
"created_at": "2022-09-04T14:38:39.596991Z",
"updated_at": "2022-09-04T14:38:39.597017Z",
"structure_string": "Ba6 W2 N6\n1.0\n8.364936 -0.000067 0.000000\n-4.182427 7.244287 0.000000\n-0.000000 -0.000000 5.674192\nBa W N\n6 2 6\ndirect\n0.903432 0.643658 0.250000 Ba\n0.740226 0.096568 0.250000 Ba\n0.356341 0.259773 0.250000 Ba\n0.096568 0.356342 0.750000 Ba\n0.259774 0.903432 0.750000 Ba\n0.643659 0.740227 0.750000 Ba\n0.666667 0.333335 0.750000 W\n0.333333 0.666665 0.250000 W\n0.878166 0.567103 0.750000 N\n0.688936 0.121835 0.750000 N\n0.432898 0.311063 0.750000 N\n0.121834 0.432897 0.250000 N\n0.311064 0.878165 0.250000 N\n0.567102 0.688937 0.250000 N\n",
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}