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"results": [
{
"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",
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"elements": [
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"volume": 127.43344181019619,
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"formula_full": "K1 Li3",
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{
"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",
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"volume": 127.43562890585683,
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"formula_full": "Rb2 S2",
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{
"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,
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"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",
"formula_reduced": "YbTlBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"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": [
"K",
"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-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,
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"elements": [
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"density_atomic": 0.03138655264097991,
"volume": 254.88622759910194,
"volume_molar": 19.187009254839857,
"formula_full": "Sm2 Cl6",
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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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"Ho"
],
"chemical_system": "Ho-Pm",
"density": 8.075696273523414,
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"volume": 63.7284249992351,
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"formula_full": "Pm1 Ho1",
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"spacegroup": 187
},
{
"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",
"nsites": 3,
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"elements": [
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],
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"density": 7.755412749491838,
"density_atomic": 0.031382653004476346,
"volume": 95.59421249605911,
"volume_molar": 19.18939344975396,
"formula_full": "Pb2 S1",
"formula_reduced": "Pb2S",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"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",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"H",
"Br"
],
"chemical_system": "Br-H-Sr",
"density": 3.4217843802948686,
"density_atomic": 0.03137977547846635,
"volume": 159.33829747861438,
"volume_molar": 19.19115311749938,
"formula_full": "Sr1 H1 Br3",
"formula_reduced": "SrHBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 1
},
{
"id": "jvasp-107610",
"created_at": "2022-09-04T14:37:02.451536Z",
"updated_at": "2022-09-04T14:37:02.451558Z",
"structure_string": "K2 La1 Ag1 Cl6\n1.0\n6.639809 -0.000000 3.833496\n2.213270 6.260072 3.833496\n-0.000000 -0.000000 7.666991\nK La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500001 Ag\n0.746886 0.253114 0.253115 Cl\n0.253114 0.253114 0.746886 Cl\n0.253115 0.746885 0.746886 Cl\n0.253115 0.746885 0.253115 Cl\n0.746886 0.253114 0.746886 Cl\n0.746886 0.746885 0.253115 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-La",
"density": 2.801688137161045,
"density_atomic": 0.03137907459546524,
"volume": 318.68371291756176,
"volume_molar": 19.191581771089872,
"formula_full": "K2 La1 Ag1 Cl6",
"formula_reduced": "K2LaAgCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-36138",
"created_at": "2022-09-04T14:37:16.641506Z",
"updated_at": "2022-09-04T14:37:16.641529Z",
"structure_string": "Tl1 As1\n1.0\n3.170448 3.170448 0.000000\n3.170448 0.000000 -3.170448\n0.000000 3.170448 -3.170448\nTl As\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 As\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-108856",
"created_at": "2022-09-04T14:38:20.058512Z",
"updated_at": "2022-09-04T14:38:20.058532Z",
"structure_string": "Rb2 Ce1 Au1 Cl6\n1.0\n6.639957 -0.000000 3.833581\n2.213319 6.260212 3.833581\n-0.000000 -0.000000 7.667162\nRb Ce Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Au\n0.749338 0.250663 0.250662 Cl\n0.250663 0.250663 0.749337 Cl\n0.250663 0.749337 0.749337 Cl\n0.250663 0.749337 0.250663 Cl\n0.749338 0.250663 0.749337 Cl\n0.749338 0.749337 0.250662 Cl\n",
"nsites": 10,
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"density": 3.755229355519619,
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"volume": 318.70505155084317,
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{
"id": "jvasp-68626",
"created_at": "2022-09-04T14:35:49.888672Z",
"updated_at": "2022-09-04T14:35:49.888699Z",
"structure_string": "Sr2 Be1 Bi1\n1.0\n-2.359431 2.359431 5.725009\n2.359431 -2.359431 5.725009\n2.359431 2.359431 -5.725009\nSr Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Bi\n",
"nsites": 4,
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"spacegroup": 119
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