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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=302",
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"results": [
{
"id": "jvasp-36994",
"created_at": "2022-09-04T14:38:05.705514Z",
"updated_at": "2022-09-04T14:38:05.705532Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n-6.828583 -0.000000 3.499570\n-4.311036 6.347560 -0.000000\n-6.750524 0.053016 -4.760084\nRb Sr Cl\n2 2 6\ndirect\n0.862058 0.862058 0.413826 Rb\n0.137943 0.137943 0.586172 Rb\n0.656135 0.656135 0.031594 Sr\n0.343864 0.343865 0.968406 Sr\n0.473366 0.703138 0.765462 Cl\n0.058033 0.473367 0.765463 Cl\n0.703138 0.058033 0.765463 Cl\n0.526634 0.296864 0.234535 Cl\n0.296863 0.941966 0.234537 Cl\n0.941967 0.526634 0.234537 Cl\n",
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{
"id": "jvasp-108584",
"created_at": "2022-09-04T14:37:57.869004Z",
"updated_at": "2022-09-04T14:37:57.869022Z",
"structure_string": "K2 Ag1 Bi1 Br6\n1.0\n6.885579 -0.000000 3.975391\n2.295193 6.491786 3.975391\n-0.000000 -0.000000 7.950782\nK Ag Bi Br\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 Ag\n0.000000 0.000000 0.000000 Bi\n0.746455 0.253545 0.253545 Br\n0.253545 0.253545 0.746455 Br\n0.253544 0.746456 0.746455 Br\n0.253544 0.746456 0.253545 Br\n0.746455 0.253545 0.746455 Br\n0.746455 0.746456 0.253544 Br\n",
"nsites": 10,
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"formula_full": "K2 Ag1 Bi1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-105686",
"created_at": "2022-09-04T14:35:53.674833Z",
"updated_at": "2022-09-04T14:35:53.674850Z",
"structure_string": "Rb3 Er1 Cl6\n1.0\n6.885521 0.000000 3.975357\n2.295173 6.491732 3.975357\n-0.000000 0.000000 7.950715\nRb Er Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n0.769535 0.230464 0.230465 Cl\n0.230464 0.230464 0.769535 Cl\n0.230464 0.769535 0.769536 Cl\n0.230464 0.769535 0.230465 Cl\n0.769535 0.230464 0.769536 Cl\n0.769535 0.769535 0.230465 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.9734614819253053,
"density_atomic": 0.028138207265309436,
"volume": 355.3886680026212,
"volume_molar": 21.40200583220693,
"formula_full": "Rb3 Er1 Cl6",
"formula_reduced": "Rb3ErCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90765",
"created_at": "2022-09-04T14:36:10.744710Z",
"updated_at": "2022-09-04T14:36:10.744736Z",
"structure_string": "Hf4 Mg4\n1.0\n6.575329 0.000000 0.000000\n-0.000000 6.575329 -0.000000\n-0.000000 -0.000000 6.575329\nHf Mg\n4 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.250000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hf-Mg",
"density": 4.738205235783463,
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"volume": 284.2840301369643,
"volume_molar": 21.399980566311015,
"formula_full": "Hf4 Mg4",
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"formula_anonymous": "AB",
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"spacegroup": 216
},
{
"id": "jvasp-69078",
"created_at": "2022-09-04T14:36:19.802314Z",
"updated_at": "2022-09-04T14:36:19.802339Z",
"structure_string": "Ba1 Sc1 Pb2\n1.0\n4.236087 0.000000 0.000000\n0.000000 4.236087 -0.000000\n0.000000 0.000000 7.921105\nBa Sc Pb\n1 1 2\ndirect\n0.500000 0.500000 0.766266 Ba\n0.000000 0.000000 0.381903 Sc\n0.000000 0.000000 0.022147 Pb\n0.500000 0.500000 0.329683 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.97071273683115,
"density_atomic": 0.02814132093880304,
"volume": 142.13973852537057,
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"formula_full": "Ba1 Sc1 Pb2",
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"spacegroup": 99
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{
"id": "jvasp-111616",
"created_at": "2022-09-04T14:38:40.685591Z",
"updated_at": "2022-09-04T14:38:40.685629Z",
"structure_string": "Dy4 Cd2 Te8\n1.0\n7.702464 0.000000 4.447019\n2.567488 7.261953 4.447019\n0.000000 0.000000 8.894040\nDy Cd Te\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.625000 0.625000 0.625000 Dy\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.857666 0.380778 0.380779 Te\n0.380779 0.857666 0.380779 Te\n0.380778 0.380778 0.857666 Te\n0.380778 0.380778 0.380779 Te\n0.392334 0.869221 0.869222 Te\n0.869221 0.392334 0.869222 Te\n0.869222 0.869221 0.392334 Te\n0.869222 0.869221 0.869222 Te\n",
"nsites": 14,
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"elements": [
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"Cd",
"Te"
],
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"density": 6.3273032361144494,
"density_atomic": 0.02814140953478789,
"volume": 497.48751862245774,
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"formula_full": "Dy4 Cd2 Te8",
"formula_reduced": "Dy2CdTe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-115713",
"created_at": "2022-09-04T14:38:45.828682Z",
"updated_at": "2022-09-04T14:38:45.828712Z",
"structure_string": "Rb1 Pd1 Br1\n1.0\n4.688322 -0.944941 0.000000\n-1.203239 6.098997 0.000000\n0.000000 0.000000 3.882272\nRb Pd Br\n1 1 1\ndirect\n0.121005 0.459345 0.000000 Rb\n0.399131 0.016925 0.000000 Pd\n-0.163766 -0.109195 0.000000 Br\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.233945524127751,
"density_atomic": 0.028143692258501534,
"volume": 106.59582163011223,
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"formula_full": "Rb1 Pd1 Br1",
"formula_reduced": "RbPdBr",
"formula_anonymous": "ABC",
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"spacegroup": 38
},
{
"id": "jvasp-97375",
"created_at": "2022-09-04T14:36:06.519849Z",
"updated_at": "2022-09-04T14:36:06.519871Z",
"structure_string": "Pr6 Ru2 I6\n1.0\n4.287496 0.000000 0.000000\n0.000000 9.265606 -0.546535\n0.000000 0.025352 12.518608\nPr Ru I\n6 2 6\ndirect\n0.750001 0.311568 0.119560 Pr\n0.250000 0.688432 0.880440 Pr\n0.250000 0.116532 0.336061 Pr\n0.750001 0.883468 0.663939 Pr\n0.250000 0.099055 0.889044 Pr\n0.750001 0.900946 0.110956 Pr\n0.250000 0.109882 0.120788 Ru\n0.750001 0.890118 0.879213 Ru\n0.250000 0.142437 0.616830 I\n0.750001 0.857563 0.383170 I\n0.750001 0.375821 0.379817 I\n0.250000 0.624179 0.620183 I\n0.250000 0.605487 0.137227 I\n0.750001 0.394513 0.862773 I\n",
"nsites": 14,
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"Ru",
"I"
],
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"density": 6.03955924562782,
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"volume": 497.3767408128247,
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"formula_full": "Pr6 Ru2 I6",
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"formula_anonymous": "AB3C3",
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"spacegroup": 11
},
{
"id": "jvasp-52645",
"created_at": "2022-09-04T14:37:28.995621Z",
"updated_at": "2022-09-04T14:37:28.995646Z",
"structure_string": "Te4 Pb4\n1.0\n0.000000 4.536706 0.000145\n7.858290 0.000000 0.000000\n0.000000 0.000229 -7.970503\nTe Pb\n4 4\ndirect\n0.749989 0.666667 0.749854 Te\n0.749989 0.333333 0.249854 Te\n0.250012 0.166692 0.749461 Te\n0.250012 0.833308 0.249461 Te\n0.749993 0.000120 0.000223 Pb\n0.749993 -0.000120 0.500222 Pb\n0.249990 0.500162 0.500436 Pb\n0.249990 0.499838 0.000436 Pb\n",
"nsites": 8,
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"density": 7.826004989418854,
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"volume": 284.15442118902286,
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"formula_full": "Te4 Pb4",
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{
"id": "jvasp-65765",
"created_at": "2022-09-04T14:36:19.346143Z",
"updated_at": "2022-09-04T14:36:19.346167Z",
"structure_string": "Ba1 Zr1 Te2\n1.0\n4.226569 0.000000 0.000000\n0.000000 4.226569 -0.000000\n0.000000 -0.000000 7.952098\nBa Zr Te\n1 1 2\ndirect\n0.500000 0.500000 0.795977 Ba\n0.000000 0.000000 0.351621 Zr\n0.000000 0.000000 0.992431 Te\n0.500000 0.500000 0.359972 Te\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:35:47.571964Z",
"updated_at": "2022-09-04T14:35:47.571989Z",
"structure_string": "Ba1 Zr1 Te2\n1.0\n4.226741 0.000000 0.000000\n0.000000 4.226741 0.000000\n-0.000000 0.000000 7.951239\nBa Zr Te\n1 1 2\ndirect\n0.500000 0.500000 0.796003 Ba\n0.000000 0.000000 0.351656 Zr\n0.000000 0.000000 0.992434 Te\n0.500000 0.500000 0.359908 Te\n",
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{
"id": "jvasp-102347",
"created_at": "2022-09-04T14:36:39.606886Z",
"updated_at": "2022-09-04T14:36:39.606904Z",
"structure_string": "Bi3 Te5 Pb1\n1.0\n4.621625 -0.000000 0.000000\n-2.310812 4.002445 0.000000\n-0.000000 0.000000 17.276804\nBi Te Pb\n3 5 1\ndirect\n0.666666 0.333333 0.000648 Bi\n0.000000 0.000000 0.778232 Bi\n0.333333 0.666666 0.219662 Bi\n0.000000 0.000000 0.106840 Te\n0.333333 0.666666 0.900745 Te\n0.333333 0.666666 0.542075 Te\n0.666666 0.333333 0.313628 Te\n0.666666 0.333333 0.687337 Te\n0.000000 0.000000 0.450832 Pb\n",
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}
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}