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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=440",
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"results": [
{
"id": "jvasp-120029",
"created_at": "2022-09-04T14:38:53.357120Z",
"updated_at": "2022-09-04T14:38:53.357151Z",
"structure_string": "Sr1 H1 Br3\n1.0\n4.512546 -0.041097 0.008450\n-0.405809 5.916494 0.138865\n-1.725729 -2.277773 5.914413\nSr H Br\n1 1 3\ndirect\n0.646481 0.209645 0.082689 Sr\n0.887643 0.803458 0.805642 H\n0.701319 0.686211 0.016345 Br\n0.283158 0.336630 0.400823 Br\n0.988131 0.974766 0.691994 Br\n",
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{
"id": "jvasp-115384",
"created_at": "2022-09-04T14:38:45.691024Z",
"updated_at": "2022-09-04T14:38:45.691037Z",
"structure_string": "Pb2 S1\n1.0\n3.714744 0.000000 0.000000\n0.000000 3.418315 0.000000\n0.000000 0.000000 7.528191\nPb S\n2 1\ndirect\n-0.033328 0.000000 0.729954 Pb\n-0.033328 0.000000 0.270045 Pb\n0.466655 0.000000 0.000000 S\n",
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"elements": [
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"volume": 95.59421249605911,
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{
"id": "jvasp-39337",
"created_at": "2022-09-04T14:37:28.075625Z",
"updated_at": "2022-09-04T14:37:28.075650Z",
"structure_string": "Pm1 Ho1\n1.0\n1.795596 -3.110063 0.000000\n1.795596 3.110063 -0.000000\n0.000000 0.000000 5.705916\nPm Ho\n1 1\ndirect\n0.666668 0.333334 0.749984 Pm\n0.333334 0.666668 0.250016 Ho\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ho-Pm",
"density": 8.075696273523414,
"density_atomic": 0.03138317006930588,
"volume": 63.7284249992351,
"volume_molar": 19.189077287924835,
"formula_full": "Pm1 Ho1",
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},
{
"id": "jvasp-33845",
"created_at": "2022-09-04T14:37:59.367365Z",
"updated_at": "2022-09-04T14:37:59.367380Z",
"structure_string": "Sm2 Cl6\n1.0\n8.886938 -0.000000 0.000000\n-4.443468 7.696313 -0.000000\n0.000000 -0.000000 3.726589\nSm Cl\n2 6\ndirect\n0.333333 0.666666 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.203999 0.407997 0.250000 Cl\n0.592000 0.796000 0.250000 Cl\n0.203999 0.796000 0.250000 Cl\n0.796002 0.592001 0.750000 Cl\n0.407997 0.203999 0.750000 Cl\n0.796000 0.203999 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cl-Sm",
"density": 3.3449585146591687,
"density_atomic": 0.03138655264097991,
"volume": 254.88622759910194,
"volume_molar": 19.187009254839857,
"formula_full": "Sm2 Cl6",
"formula_reduced": "SmCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.021596016875,
"spacegroup": 194
},
{
"id": "jvasp-59031",
"created_at": "2022-09-04T14:37:55.212770Z",
"updated_at": "2022-09-04T14:37:55.212784Z",
"structure_string": "K8 Mn2 Br12\n1.0\n8.883085 0.029062 0.029152\n0.029150 8.883085 0.029152\n0.029062 0.029062 8.883086\nK Mn Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.629463 0.870538 0.250000 K\n0.250000 0.629463 0.870537 K\n0.870538 0.250000 0.629463 K\n0.370537 0.129463 0.750000 K\n0.750000 0.370537 0.129463 K\n0.129463 0.750000 0.370537 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.442787 0.792637 0.568351 Br\n0.057213 0.931649 0.707363 Br\n0.931649 0.707363 0.057213 Br\n0.707363 0.057213 0.931649 Br\n0.207363 0.431649 0.557214 Br\n0.292637 0.942787 0.068351 Br\n0.557214 0.207363 0.431649 Br\n0.942787 0.068351 0.292637 Br\n0.068351 0.292637 0.942787 Br\n0.568351 0.442786 0.792637 Br\n0.431649 0.557214 0.207363 Br\n0.792637 0.568351 0.442786 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
"Br"
],
"chemical_system": "Br-K-Mn",
"density": 3.272847277005588,
"density_atomic": 0.03138666242688279,
"volume": 700.9346741231371,
"volume_molar": 19.18694214151937,
"formula_full": "K8 Mn2 Br12",
"formula_reduced": "K4MnBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-108696",
"created_at": "2022-09-04T14:38:11.509696Z",
"updated_at": "2022-09-04T14:38:11.509720Z",
"structure_string": "Yb2 Tl2 Br6\n1.0\n7.274570 0.034543 0.000000\n-6.069962 4.009505 0.000000\n-0.000000 -0.000000 10.845157\nYb Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.256504 0.743494 0.250000 Tl\n0.743494 0.256504 0.750000 Tl\n0.635954 0.364044 0.048689 Br\n0.364044 0.635954 0.951311 Br\n0.364044 0.635954 0.548689 Br\n0.635954 0.364044 0.451311 Br\n0.937570 0.062428 0.250000 Br\n0.062428 0.937570 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Tl",
"Br"
],
"chemical_system": "Br-Tl-Yb",
"density": 6.4330173742538985,
"density_atomic": 0.03138739280727458,
"volume": 318.5992561217867,
"volume_molar": 19.186495663966912,
"formula_full": "Yb2 Tl2 Br6",
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"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-111241",
"created_at": "2022-09-04T14:38:48.542362Z",
"updated_at": "2022-09-04T14:38:48.542390Z",
"structure_string": "Rb2 S2\n1.0\n5.848370 -0.034696 0.000000\n-3.715062 4.516963 0.000000\n-0.000000 -0.000000 4.847678\nRb S\n2 2\ndirect\n0.147703 0.852296 0.750000 Rb\n0.852297 0.147702 0.250000 Rb\n0.464656 0.535343 0.750000 S\n0.535343 0.464656 0.250000 S\n",
"nsites": 4,
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"elements": [
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"S"
],
"chemical_system": "Rb-S",
"density": 3.0630022024855363,
"density_atomic": 0.03138839612079761,
"volume": 127.43562890585683,
"volume_molar": 19.18588237775487,
"formula_full": "Rb2 S2",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1426925,
"spacegroup": 63
},
{
"id": "jvasp-106253",
"created_at": "2022-09-04T14:38:39.385732Z",
"updated_at": "2022-09-04T14:38:39.385753Z",
"structure_string": "K1 Li3\n1.0\n4.891741 -0.000000 2.824248\n1.630581 4.611977 2.824248\n-0.000000 -0.000000 5.648496\nK Li\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.500000 0.500000 0.500001 Li\n",
"nsites": 4,
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"elements": [
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"Li"
],
"chemical_system": "K-Li",
"density": 0.780812776913456,
"density_atomic": 0.03138893482887906,
"volume": 127.43344181019619,
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"formula_full": "K1 Li3",
"formula_reduced": "KLi3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-119938",
"created_at": "2022-09-04T14:38:51.986678Z",
"updated_at": "2022-09-04T14:38:51.986707Z",
"structure_string": "Ba1 C1 O1\n1.0\n3.777816 -0.000000 -0.000000\n0.000000 3.777816 -0.000000\n0.000000 0.000000 6.696678\nBa C O\n1 1 1\ndirect\n0.000000 0.000000 0.380814 Ba\n0.000000 0.000000 0.795868 C\n0.000000 0.000000 -0.027568 O\n",
"nsites": 3,
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"elements": [
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"C",
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],
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"density": 2.8726214104708,
"density_atomic": 0.03138919907877272,
"volume": 95.57427675906462,
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"formula_full": "Ba1 C1 O1",
"formula_reduced": "BaCO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-49965",
"created_at": "2022-09-04T14:35:57.304446Z",
"updated_at": "2022-09-04T14:35:57.304466Z",
"structure_string": "Rb3 Cl1 O1\n1.0\n5.420734 0.000000 -0.000000\n-0.000000 5.420734 0.000000\n-0.000000 0.000000 5.420734\nRb Cl O\n3 1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
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"Cl",
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],
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"density": 3.2093874332932875,
"density_atomic": 0.03139031794000051,
"volume": 159.28478359336805,
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"formula_full": "Rb3 Cl1 O1",
"formula_reduced": "Rb3ClO",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-104970",
"created_at": "2022-09-04T14:36:55.494293Z",
"updated_at": "2022-09-04T14:36:55.494308Z",
"structure_string": "Ba1 Sr1 N1\n1.0\n3.777430 -0.006544 6.503848\n1.746693 3.349341 6.503848\n-0.010815 -0.006544 7.521230\nBa Sr N\n1 1 1\ndirect\n0.735294 0.735296 0.735293 Ba\n0.267386 0.267387 0.267386 Sr\n0.997319 0.997322 0.997319 N\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.152006661444039,
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"formula_full": "Ba1 Sr1 N1",
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},
{
"id": "jvasp-122902",
"created_at": "2022-09-04T14:38:54.574884Z",
"updated_at": "2022-09-04T14:38:54.574905Z",
"structure_string": "Sm3 Tm1\n1.0\n1.786543 -3.094383 -0.000000\n1.786543 3.094383 0.000000\n-0.000000 -0.000000 11.523779\nSm Tm\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333332 0.666666 0.246418 Sm\n0.666666 0.333332 0.753582 Sm\n0.000000 0.000000 0.000000 Tm\n",
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"formula_full": "Sm3 Tm1",
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}
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}