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{
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"results": [
{
"id": "jvasp-99613",
"created_at": "2022-09-04T14:36:21.069891Z",
"updated_at": "2022-09-04T14:36:21.069901Z",
"structure_string": "Sr2 Zn3 Cd1\n1.0\n4.677153 0.043537 3.883742\n2.149693 4.154091 3.883742\n0.006207 0.003816 7.834907\nSr Zn Cd\n2 3 1\ndirect\n0.452803 0.452805 0.795465 Sr\n0.546390 0.546391 0.203109 Sr\n0.175845 0.175845 0.389169 Zn\n0.153380 0.153380 0.788869 Zn\n0.835394 0.835396 0.217643 Zn\n0.836185 0.836187 0.605745 Cd\n",
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{
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"created_at": "2022-09-04T14:38:13.179590Z",
"updated_at": "2022-09-04T14:38:13.179607Z",
"structure_string": "Tm2 Tl1 Cd1\n1.0\n-0.000000 3.695099 3.695099\n3.695099 0.000000 3.695099\n3.695099 3.695099 -0.000000\nTm Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-28576",
"created_at": "2022-09-04T14:37:04.700929Z",
"updated_at": "2022-09-04T14:37:04.700962Z",
"structure_string": "Te4 W3 Se2\n1.0\n3.484344 0.000000 0.000000\n-1.742172 3.017652 0.000000\n0.000000 0.000000 21.592010\nTe W Se\n4 3 2\ndirect\n0.666742 0.333484 -0.056116 Te\n0.666713 0.333427 0.578558 Te\n0.666713 0.333427 0.115407 Te\n0.666742 0.333484 0.750080 Te\n0.333402 0.666803 0.029638 W\n0.333402 0.666803 0.664327 W\n0.666519 0.333039 0.346982 W\n0.333183 0.666365 0.422445 Se\n0.333183 0.666365 0.271520 Se\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Se-Te-W",
"density": 8.922133454948812,
"density_atomic": 0.0396423376896949,
"volume": 227.0300018744749,
"volume_molar": 15.191184755901684,
"formula_full": "Te4 W3 Se2",
"formula_reduced": "Te4W3Se2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.9578808666666663,
"spacegroup": 187
},
{
"id": "jvasp-69894",
"created_at": "2022-09-04T14:36:20.683454Z",
"updated_at": "2022-09-04T14:36:20.683475Z",
"structure_string": "K1 Be2 Bi1\n1.0\n3.751012 0.000000 0.000000\n0.000000 3.751012 0.000000\n0.000000 0.000000 7.171159\nK Be Bi\n1 2 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.851535 Be\n0.000000 0.000000 0.148465 Be\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"Be",
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],
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"density": 4.379380837856597,
"density_atomic": 0.039643659054347746,
"volume": 100.89885987860946,
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"formula_full": "K1 Be2 Bi1",
"formula_reduced": "KBe2Bi",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-109060",
"created_at": "2022-09-04T14:38:17.853150Z",
"updated_at": "2022-09-04T14:38:17.853170Z",
"structure_string": "Mg2 In4\n1.0\n5.070316 -0.068704 3.503139\n1.801117 4.740127 3.503139\n-0.101060 -0.068704 6.161970\nMg In\n2 4\ndirect\n0.329435 0.329435 0.329434 Mg\n0.670566 0.670567 0.670565 Mg\n0.174211 0.825791 0.499999 In\n0.825790 0.500001 0.174210 In\n0.500000 0.174212 0.825789 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"volume": 151.34822144539027,
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"formula_full": "Mg2 In4",
"formula_reduced": "MgIn2",
"formula_anonymous": "AB2",
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"spacegroup": 155
},
{
"id": "jvasp-90717",
"created_at": "2022-09-04T14:38:18.536818Z",
"updated_at": "2022-09-04T14:38:18.536840Z",
"structure_string": "Na2 Al4 Sb2\n1.0\n-2.607487 -4.516881 0.000000\n-2.607487 4.516881 0.000000\n0.000000 0.000000 -8.566731\nNa Al Sb\n2 4 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.666683 0.333318 0.593106 Al\n0.333318 0.666683 0.406893 Al\n0.333318 0.666683 0.093107 Al\n0.666683 0.333318 0.906893 Al\n0.666652 0.333349 0.250000 Sb\n0.333349 0.666652 0.750000 Sb\n",
"nsites": 8,
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],
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"formula_full": "Na2 Al4 Sb2",
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"spacegroup": 194
},
{
"id": "jvasp-13856",
"created_at": "2022-09-04T14:37:00.479994Z",
"updated_at": "2022-09-04T14:37:00.480024Z",
"structure_string": "Ga2 Se2\n1.0\n3.693930 -0.008938 7.465122\n1.738878 3.259065 7.465122\n-0.014939 -0.008938 8.329043\nGa Se\n2 2\ndirect\n0.051119 0.051119 0.051119 Ga\n0.949251 0.949251 0.949250 Ga\n0.766343 0.766343 0.766342 Se\n0.567287 0.567287 0.567286 Se\n",
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"elements": [
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"density": 4.894043461280194,
"density_atomic": 0.03964490711052649,
"volume": 100.89568349468834,
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"formula_full": "Ga2 Se2",
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"spacegroup": 160
},
{
"id": "jvasp-110083",
"created_at": "2022-09-04T14:38:20.510314Z",
"updated_at": "2022-09-04T14:38:20.510326Z",
"structure_string": "La3 Mg3 Au3\n1.0\n7.854667 0.000000 0.000000\n-3.927334 6.802341 0.000000\n-0.000000 -0.000000 4.248734\nLa Mg Au\n3 3 3\ndirect\n0.585368 -0.000000 -0.000000 La\n0.000000 0.585368 -0.000000 La\n0.414633 0.414632 -0.000000 La\n0.237604 -0.000000 0.500000 Mg\n0.000000 0.237604 0.500000 Mg\n0.762397 0.762396 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
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"density": 7.903885796560042,
"density_atomic": 0.039645763899706775,
"volume": 227.01038180945645,
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"formula_full": "La3 Mg3 Au3",
"formula_reduced": "LaMgAu",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-40891",
"created_at": "2022-09-04T14:37:33.314018Z",
"updated_at": "2022-09-04T14:37:33.314041Z",
"structure_string": "Er2 Cd1 In1\n1.0\n-0.000000 3.694960 3.694960\n3.694960 0.000000 3.694960\n3.694960 3.694960 -0.000000\nEr Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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],
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"density": 9.245505040970432,
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"volume": 100.89257805947187,
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"formula_reduced": "Er2CdIn",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-67639",
"created_at": "2022-09-04T14:35:52.581450Z",
"updated_at": "2022-09-04T14:35:52.581478Z",
"structure_string": "Be1 Bi1 Pb1\n1.0\n-1.716658 1.716658 6.419373\n1.716658 -1.716658 6.419373\n1.716658 1.716658 -6.419373\nBe Bi Pb\n1 1 1\ndirect\n0.995863 0.995863 0.000000 Be\n0.373509 0.373509 0.000000 Bi\n0.630628 0.630628 0.000000 Pb\n",
"nsites": 3,
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"spacegroup": 107
},
{
"id": "jvasp-110879",
"created_at": "2022-09-04T14:38:38.142815Z",
"updated_at": "2022-09-04T14:38:38.142824Z",
"structure_string": "Tm6 Al2\n1.0\n6.672039 -0.000000 0.000000\n-3.336018 5.778156 0.000000\n-0.000000 -0.000000 5.233874\nTm Al\n6 2\ndirect\n0.826891 0.173109 0.749999 Tm\n0.346218 0.173109 0.749999 Tm\n0.826891 0.653783 0.749999 Tm\n0.173109 0.826892 0.250000 Tm\n0.653783 0.826892 0.250000 Tm\n0.173109 0.346218 0.250000 Tm\n0.666667 0.333334 0.250000 Al\n0.333333 0.666667 0.749999 Al\n",
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"formula_full": "Tm6 Al2",
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{
"id": "jvasp-94090",
"created_at": "2022-09-04T14:36:07.521647Z",
"updated_at": "2022-09-04T14:36:07.521668Z",
"structure_string": "Rb1 Mg6 V1\n1.0\n6.634969 -0.001102 0.000000\n-3.318439 5.745500 0.000000\n0.000000 0.000000 5.293390\nRb Mg V\n1 6 1\ndirect\n0.416647 0.083353 0.750000 Rb\n0.060511 0.905343 0.250000 Mg\n0.594657 0.439488 0.250000 Mg\n0.594669 0.905331 0.250000 Mg\n0.395755 0.572886 0.750000 Mg\n0.927114 0.104245 0.750000 Mg\n0.927281 0.572720 0.750000 Mg\n0.083365 0.416635 0.250000 V\n",
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