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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=706",
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{
"id": "jvasp-86944",
"created_at": "2022-09-04T14:36:03.939020Z",
"updated_at": "2022-09-04T14:36:03.939045Z",
"structure_string": "Sr2 Cd4\n1.0\n4.664776 -0.000000 2.009318\n2.181948 5.844864 1.353917\n0.015326 0.047150 6.383882\nSr Cd\n2 4\ndirect\n0.457547 0.292454 0.792454 Sr\n0.542456 0.707545 0.207546 Sr\n0.835204 0.113751 0.215843 Cd\n0.164799 0.886248 0.784157 Cd\n0.164798 0.284157 0.386249 Cd\n0.835204 0.715842 0.613751 Cd\n",
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"elements": [
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{
"id": "jvasp-35261",
"created_at": "2022-09-04T14:38:04.922540Z",
"updated_at": "2022-09-04T14:38:04.922554Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n-0.017196 0.017032 7.051452\n-0.018851 9.691575 3.460184\n-9.691309 -0.074382 3.460184\nNa Zn Se\n8 8 12\ndirect\n0.749999 0.569001 0.431000 Na\n0.249999 0.431000 0.569001 Na\n0.749999 0.281371 0.718629 Na\n0.249999 0.718629 0.281371 Na\n0.646280 0.975352 0.806889 Na\n0.853718 0.193111 0.024649 Na\n0.353718 0.024649 0.193112 Na\n0.146280 0.806889 0.975351 Na\n0.261074 0.083055 0.549185 Zn\n0.238925 0.450815 0.916945 Zn\n0.761074 0.549185 0.083055 Zn\n0.738924 0.916945 0.450815 Zn\n0.201646 0.792717 0.637047 Zn\n0.701645 0.637047 0.792717 Zn\n0.798353 0.207283 0.362954 Zn\n0.298353 0.362953 0.207283 Zn\n0.441597 0.227590 0.991809 Se\n0.568683 0.424118 0.276554 Se\n0.931315 0.723446 0.575882 Se\n0.431316 0.575882 0.723446 Se\n0.068683 0.276554 0.424118 Se\n0.552793 0.147835 0.583805 Se\n0.947205 0.416195 0.852165 Se\n0.447205 0.852165 0.416195 Se\n0.052793 0.583805 0.147835 Se\n0.558402 0.772410 0.008191 Se\n0.941597 0.991809 0.227591 Se\n0.058402 0.008191 0.772410 Se\n",
"nsites": 28,
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"elements": [
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"chemical_system": "Na-Se-Zn",
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"volume": 661.1596810420607,
"volume_molar": 14.219988085971405,
"formula_full": "Na8 Zn8 Se12",
"formula_reduced": "Na2Zn2Se3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 15
},
{
"id": "jvasp-43091",
"created_at": "2022-09-04T14:35:55.046616Z",
"updated_at": "2022-09-04T14:35:55.046645Z",
"structure_string": "K1 Li1 Zn1 S2\n1.0\n0.000000 3.942791 0.000000\n1.971395 -1.971395 6.580111\n3.942791 0.000000 0.000000\nK Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.249999 0.500000 0.250001 Li\n0.749999 0.500000 0.750000 Zn\n0.646048 0.292097 0.353952 S\n0.353950 0.707903 0.646049 S\n",
"nsites": 5,
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"elements": [
"K",
"Li",
"Zn",
"S"
],
"chemical_system": "K-Li-S-Zn",
"density": 2.8502253889551357,
"density_atomic": 0.04887978325324156,
"volume": 102.29177928419752,
"volume_molar": 12.32030986880579,
"formula_full": "K1 Li1 Zn1 S2",
"formula_reduced": "KLiZnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.1705776799999999,
"spacegroup": 119
},
{
"id": "jvasp-108699",
"created_at": "2022-09-04T14:38:20.420340Z",
"updated_at": "2022-09-04T14:38:20.420352Z",
"structure_string": "K6 Bi4\n1.0\n6.627695 -0.009893 1.245215\n-0.517498 6.607468 1.245215\n-0.063639 -0.068715 9.313486\nK Bi\n6 4\ndirect\n0.652064 0.759797 0.513269 K\n0.347936 0.240204 0.486733 K\n0.240203 0.347937 0.986733 K\n0.759797 0.652064 0.013269 K\n0.847447 0.152554 0.750001 K\n0.152553 0.847447 0.250001 K\n0.325827 0.887866 0.847900 Bi\n0.674173 0.112136 0.152101 Bi\n0.112135 0.674174 0.652101 Bi\n0.887865 0.325828 0.347900 Bi\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"chemical_system": "Bi-K",
"density": 4.346838233221175,
"density_atomic": 0.02445305272830717,
"volume": 408.9468955515673,
"volume_molar": 24.627357683765563,
"formula_full": "K6 Bi4",
"formula_reduced": "K3Bi2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.17068286,
"spacegroup": 15
},
{
"id": "jvasp-41754",
"created_at": "2022-09-04T14:37:45.245912Z",
"updated_at": "2022-09-04T14:37:45.245937Z",
"structure_string": "Li1 Ga1 Au2\n1.0\n0.000000 3.172901 3.172901\n3.172901 0.000000 3.172901\n3.172901 3.172901 0.000000\nLi Ga Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
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"volume": 63.885097270763495,
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"formula_full": "Li1 Ga1 Au2",
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"spacegroup": 225
},
{
"id": "jvasp-25259",
"created_at": "2022-09-04T14:38:08.314592Z",
"updated_at": "2022-09-04T14:38:08.314618Z",
"structure_string": "Pu8\n1.0\n6.118151 0.000002 -0.000000\n-3.059077 5.298473 0.000000\n0.000000 -0.000000 5.222486\nPu\n8\ndirect\n0.739155 0.658301 0.750001 Pu\n0.341698 0.080855 0.750001 Pu\n0.080854 0.739155 0.250000 Pu\n0.658301 0.919145 0.250000 Pu\n0.919145 0.260844 0.750001 Pu\n0.666667 0.333333 0.250000 Pu\n0.260844 0.341698 0.250000 Pu\n0.333332 0.666667 0.750001 Pu\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.04725434019316678,
"volume": 169.29661841213988,
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"formula_full": "Pu8",
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"formula_anonymous": "A",
"energy_above_hull": 0.1710400000000014,
"spacegroup": 176
},
{
"id": "jvasp-71500",
"created_at": "2022-09-04T14:35:51.167426Z",
"updated_at": "2022-09-04T14:35:51.167455Z",
"structure_string": "Na1 Sr2 Be1\n1.0\n3.934965 0.000000 -0.000000\n0.000000 3.934965 0.000000\n0.000000 0.000000 8.851824\nNa Sr Be\n1 2 1\ndirect\n0.500001 0.500001 0.686821 Na\n0.000000 0.000000 0.965814 Sr\n0.500001 0.500001 0.324990 Sr\n0.000000 0.000000 0.522374 Be\n",
"nsites": 4,
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"elements": [
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"density": 2.510800764538213,
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"volume": 137.0611962523227,
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"formula_full": "Na1 Sr2 Be1",
"formula_reduced": "NaSr2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.171052654375,
"spacegroup": 99
},
{
"id": "jvasp-39514",
"created_at": "2022-09-04T14:37:53.969457Z",
"updated_at": "2022-09-04T14:37:53.969476Z",
"structure_string": "Ca1 Cd1 Si1\n1.0\n4.079403 -0.000002 2.355242\n1.359801 3.846096 2.355239\n-0.000002 -0.000004 4.710486\nCa Cd Si\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Ca\n0.250000 0.250001 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
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"elements": [
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"Cd",
"Si"
],
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"density": 4.057165629395777,
"density_atomic": 0.04059181531495115,
"volume": 73.90652467062769,
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"formula_full": "Ca1 Cd1 Si1",
"formula_reduced": "CaCdSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1711062566666664,
"spacegroup": 216
},
{
"id": "jvasp-94391",
"created_at": "2022-09-04T14:35:43.286064Z",
"updated_at": "2022-09-04T14:35:43.286083Z",
"structure_string": "Y1 Mg5\n1.0\n5.750051 0.000000 0.000000\n-2.875024 4.979690 -0.000000\n0.000000 -0.000000 5.117541\nY Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.628818 0.000000 Mg\n0.628818 -0.000000 0.000000 Mg\n0.371182 0.371182 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"formula_full": "Y1 Mg5",
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"formula_anonymous": "AB5",
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"spacegroup": 189
},
{
"id": "jvasp-101563",
"created_at": "2022-09-04T14:37:06.872968Z",
"updated_at": "2022-09-04T14:37:06.872985Z",
"structure_string": "Ga2 Pb6\n1.0\n6.864493 -0.000000 0.000000\n-3.432247 5.944825 0.000000\n0.000000 0.000000 5.716740\nGa Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666666 0.333334 0.250000 Ga\n0.168440 0.336879 0.250000 Pb\n0.663120 0.831561 0.250000 Pb\n0.168439 0.831561 0.250000 Pb\n0.831560 0.663121 0.750000 Pb\n0.336879 0.168440 0.750000 Pb\n0.831560 0.168440 0.750000 Pb\n",
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"volume": 233.28992414141516,
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"formula_full": "Ga2 Pb6",
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"spacegroup": 194
},
{
"id": "jvasp-98033",
"created_at": "2022-09-04T14:35:55.175806Z",
"updated_at": "2022-09-04T14:35:55.175822Z",
"structure_string": "La2 I2 O2\n1.0\n4.162832 -0.000000 0.000000\n-0.000000 4.162832 -0.000000\n0.000000 0.000000 9.171754\nLa I O\n2 2 2\ndirect\n0.750000 0.750000 0.869962 La\n0.250000 0.250000 0.130037 La\n0.250000 0.250000 0.665162 I\n0.750000 0.750000 0.334838 I\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
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],
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"volume": 158.9388866508905,
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"formula_full": "La2 I2 O2",
"formula_reduced": "LaIO",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-66375",
"created_at": "2022-09-04T14:35:47.562159Z",
"updated_at": "2022-09-04T14:35:47.562188Z",
"structure_string": "Ba1 Cd1 Bi1\n1.0\n0.000000 3.994505 3.994505\n3.994505 -0.000000 3.994505\n3.994505 3.994505 0.000000\nBa Cd Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Bi\n",
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}