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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4615",
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{
"id": "jvasp-17181",
"created_at": "2022-09-04T14:38:15.042875Z",
"updated_at": "2022-09-04T14:38:15.042894Z",
"structure_string": "Cu6 Sn2\n1.0\n2.815269 -4.876189 -0.000000\n2.815269 4.876189 0.000000\n-0.000000 0.000000 4.302740\nCu Sn\n6 2\ndirect\n0.154306 0.845694 0.250000 Cu\n0.845694 0.691389 0.750000 Cu\n0.308612 0.154306 0.750000 Cu\n0.691389 0.845694 0.250000 Cu\n0.154306 0.308612 0.250000 Cu\n0.845694 0.154306 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
"id": "jvasp-109248",
"created_at": "2022-09-04T14:38:20.051417Z",
"updated_at": "2022-09-04T14:38:20.051442Z",
"structure_string": "Rb2 Ag1 Bi1 Br6\n1.0\n6.901917 0.000000 3.984824\n2.300639 6.507190 3.984824\n-0.000000 -0.000000 7.969648\nRb Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746631 0.253369 0.253369 Br\n0.253369 0.253369 0.746631 Br\n0.253369 0.746631 0.746630 Br\n0.253369 0.746631 0.253369 Br\n0.746631 0.253369 0.746630 Br\n0.746631 0.746631 0.253368 Br\n",
"nsites": 10,
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"elements": [
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},
{
"id": "jvasp-110098",
"created_at": "2022-09-04T14:38:19.787210Z",
"updated_at": "2022-09-04T14:38:19.787241Z",
"structure_string": "K1 Tl2 Ga1 F6\n1.0\n5.408368 -0.000000 3.122522\n1.802789 5.099058 3.122522\n-0.000000 -0.000000 6.245045\nK Tl Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.250000 0.250000 0.249999 Tl\n0.750000 0.750000 0.749998 Tl\n0.000000 0.000000 0.000000 Ga\n0.782639 0.217362 0.217361 F\n0.217362 0.782639 0.782637 F\n0.217362 0.782639 0.217361 F\n0.782639 0.217362 0.782637 F\n0.217362 0.217362 0.782637 F\n0.782639 0.782639 0.217361 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
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"F"
],
"chemical_system": "F-Ga-K-Tl",
"density": 6.089540904278979,
"density_atomic": 0.05806417254548909,
"volume": 172.2232413140086,
"volume_molar": 10.37152601336407,
"formula_full": "K1 Tl2 Ga1 F6",
"formula_reduced": "KTl2GaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109594",
"created_at": "2022-09-04T14:38:20.031537Z",
"updated_at": "2022-09-04T14:38:20.031553Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n4.915247 -0.000000 2.837819\n1.638416 4.634139 2.837819\n-0.000000 -0.000000 5.675638\nSr Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 7.452597842219318,
"density_atomic": 0.03094075454597596,
"volume": 129.27932943769224,
"volume_molar": 19.46345798080486,
"formula_full": "Sr2 Tl1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-108574",
"created_at": "2022-09-04T14:38:06.473944Z",
"updated_at": "2022-09-04T14:38:06.473976Z",
"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
"nsites": 10,
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"elements": [
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"Li",
"Nd",
"I"
],
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"density": 3.8574771432573485,
"density_atomic": 0.023445821377707992,
"volume": 426.5152343738267,
"volume_molar": 25.685347776835744,
"formula_full": "K2 Li1 Nd1 I6",
"formula_reduced": "K2LiNdI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-33812",
"created_at": "2022-09-04T14:38:06.461492Z",
"updated_at": "2022-09-04T14:38:06.461530Z",
"structure_string": "Nd2 I6\n1.0\n10.496974 0.000037 -0.000000\n-5.248456 9.090656 -0.000000\n-0.000000 -0.000000 4.134965\nNd I\n2 6\ndirect\n0.666666 0.333334 0.250000 Nd\n0.333333 0.666666 0.749998 Nd\n0.203293 0.406589 0.250000 I\n0.796705 0.203294 0.749998 I\n0.406590 0.203295 0.749998 I\n0.796706 0.593411 0.749998 I\n0.203295 0.796706 0.250000 I\n0.593410 0.796705 0.250000 I\n",
"nsites": 8,
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"spacegroup": 194
},
{
"id": "jvasp-36980",
"created_at": "2022-09-04T14:38:15.388819Z",
"updated_at": "2022-09-04T14:38:15.388836Z",
"structure_string": "Tl1 Hg1 F3\n1.0\n4.528263 -0.006337 -0.010782\n0.007719 4.501398 0.161784\n0.029866 0.279223 4.552066\nTl Hg F\n1 1 3\ndirect\n-0.000073 0.985339 0.064399 Tl\n0.498995 0.477971 0.551329 Hg\n-0.000317 0.501492 0.445931 F\n0.498992 0.003548 0.432577 F\n0.502403 0.591646 0.015767 F\n",
"nsites": 5,
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"elements": [
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"Hg",
"F"
],
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"density": 8.285615525459326,
"density_atomic": 0.054004918038682716,
"volume": 92.58416050957791,
"volume_molar": 11.151096934702231,
"formula_full": "Tl1 Hg1 F3",
"formula_reduced": "TlHgF3",
"formula_anonymous": "ABC3",
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"spacegroup": 6
},
{
"id": "jvasp-109416",
"created_at": "2022-09-04T14:38:09.829412Z",
"updated_at": "2022-09-04T14:38:09.829442Z",
"structure_string": "Bi1 Pb2 F7\n1.0\n3.956158 0.032150 -8.919829\n-0.148143 3.953514 -8.919829\n-0.030717 -0.032150 9.757745\nBi Pb F\n1 2 7\ndirect\n0.500001 0.499999 -0.000000 Bi\n0.833808 0.833806 -0.000000 Pb\n0.166193 0.166193 -0.000000 Pb\n0.250000 0.749999 0.500000 F\n0.584558 0.084558 0.500000 F\n0.915442 0.415441 0.500000 F\n0.084558 0.584558 0.500000 F\n0.415442 0.915441 0.500000 F\n0.750000 0.250000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 8.35019816524071,
"density_atomic": 0.0664834941099146,
"volume": 150.41327375885788,
"volume_molar": 9.058099067482564,
"formula_full": "Bi1 Pb2 F7",
"formula_reduced": "BiPb2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-31903",
"created_at": "2022-09-04T14:38:06.437715Z",
"updated_at": "2022-09-04T14:38:06.437745Z",
"structure_string": "Ga2 Cl6\n1.0\n6.866396 0.003417 -0.058558\n-3.453862 4.873990 -3.280167\n0.026978 -0.044666 6.866775\nGa Cl\n2 6\ndirect\n0.161252 0.076722 0.236668 Ga\n0.838749 0.923277 0.763332 Ga\n0.806006 0.612275 0.427887 Cl\n0.240728 0.235971 0.994714 Cl\n0.322806 0.870906 0.204682 Cl\n0.193995 0.387725 0.572112 Cl\n0.759273 0.764028 0.005286 Cl\n0.677195 0.129094 0.795318 Cl\n",
"nsites": 8,
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"elements": [
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"volume": 228.88200623789666,
"volume_molar": 17.229495737447646,
"formula_full": "Ga2 Cl6",
"formula_reduced": "GaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-37798",
"created_at": "2022-09-04T14:38:15.343170Z",
"updated_at": "2022-09-04T14:38:15.343188Z",
"structure_string": "Li1 Pm1 Zn2\n1.0\n-0.000000 3.427887 3.427887\n3.427887 0.000000 3.427887\n3.427887 3.427887 0.000000\nLi Pm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Pm\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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],
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"density": 5.828489894927349,
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"volume": 80.55815046387791,
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"formula_full": "Li1 Pm1 Zn2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-51699",
"created_at": "2022-09-04T14:38:08.855847Z",
"updated_at": "2022-09-04T14:38:08.855870Z",
"structure_string": "S3 F18\n1.0\n4.713653 0.017680 0.008593\n0.645613 7.908063 -0.036064\n0.650580 3.795908 6.943445\nS F\n3 18\ndirect\n0.000000 0.000000 0.000000 S\n0.419153 0.668027 0.668208 S\n0.580846 0.331973 0.331793 S\n0.759897 0.131550 0.409778 F\n0.240101 0.868450 0.590223 F\n0.353655 0.252637 0.253015 F\n0.646344 0.747363 0.746986 F\n0.808053 0.411348 0.410596 F\n0.191945 0.588651 0.589405 F\n0.402176 0.254165 0.532245 F\n0.597823 0.745835 0.467755 F\n0.759735 0.409685 0.131432 F\n0.240263 0.590314 0.868569 F\n0.290865 0.930355 0.929328 F\n0.709134 0.069644 0.070673 F\n0.123837 0.205463 0.928638 F\n0.876161 0.794537 0.071363 F\n0.876419 0.073807 0.794194 F\n0.123580 0.926192 0.205806 F\n0.597987 0.467518 0.746269 F\n0.402011 0.532481 0.253732 F\n",
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},
{
"id": "jvasp-108616",
"created_at": "2022-09-04T14:38:20.009057Z",
"updated_at": "2022-09-04T14:38:20.009075Z",
"structure_string": "Cd3 Pd1\n1.0\n3.805657 -0.047642 -3.688183\n-0.715007 3.738189 -3.688183\n0.039898 0.047642 5.299446\nCd Pd\n3 1\ndirect\n0.750001 0.250000 0.500002 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Pd\n",
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}
]
}