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{
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"results": [
{
"id": "jvasp-37487",
"created_at": "2022-09-04T14:38:09.553731Z",
"updated_at": "2022-09-04T14:38:09.553752Z",
"structure_string": "Yb3 Ti1\n1.0\n4.951627 0.000000 -0.000000\n0.000000 4.951627 0.000000\n-0.000000 0.000000 4.951627\nYb Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
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"volume": 121.40701101667254,
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{
"id": "jvasp-117858",
"created_at": "2022-09-04T14:38:53.003326Z",
"updated_at": "2022-09-04T14:38:53.003366Z",
"structure_string": "Pb2 Br2\n1.0\n6.065762 -0.075422 -1.430957\n-2.287997 -3.023995 0.721456\n1.894125 -3.787432 -6.779521\nPb Br\n2 2\ndirect\n0.174097 0.376168 0.616685 Pb\n0.674233 0.376481 0.116552 Pb\n0.039502 0.144026 0.251337 Br\n0.539488 0.144151 0.751314 Br\n",
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"formula_full": "Pb2 Br2",
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"spacegroup": 38
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{
"id": "jvasp-110498",
"created_at": "2022-09-04T14:38:39.150662Z",
"updated_at": "2022-09-04T14:38:39.150691Z",
"structure_string": "Sr1 In5\n1.0\n6.296988 -0.000000 0.000000\n-3.148492 5.453352 -0.000000\n0.000000 -0.000000 5.302799\nSr In\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
"nsites": 6,
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"elements": [
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"density": 6.034137924586443,
"density_atomic": 0.03294956518082388,
"volume": 182.09648494821124,
"volume_molar": 18.27684440432249,
"formula_full": "Sr1 In5",
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"formula_anonymous": "AB5",
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"spacegroup": 191
},
{
"id": "jvasp-118664",
"created_at": "2022-09-04T14:38:46.127498Z",
"updated_at": "2022-09-04T14:38:46.127517Z",
"structure_string": "Na1 Al1 Te2\n1.0\n3.964044 -0.000000 -0.000000\n-0.000000 3.964044 -0.000000\n-0.000000 0.000000 7.724600\nNa Al Te\n1 1 2\ndirect\n0.499999 0.499999 0.439176 Na\n0.000000 -0.000000 0.934947 Al\n0.000000 -0.000000 0.597913 Te\n0.499999 0.499999 0.037964 Te\n",
"nsites": 4,
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"elements": [
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"Al",
"Te"
],
"chemical_system": "Al-Na-Te",
"density": 4.174840268639277,
"density_atomic": 0.03295391815384751,
"volume": 121.38162088422202,
"volume_molar": 18.274430166043516,
"formula_full": "Na1 Al1 Te2",
"formula_reduced": "NaAlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5707118333333334,
"spacegroup": 99
},
{
"id": "jvasp-2062",
"created_at": "2022-09-04T14:37:12.608308Z",
"updated_at": "2022-09-04T14:37:12.608320Z",
"structure_string": "Tl1 Bi1 Se2\n1.0\n4.147199 0.003731 6.807207\n1.913126 3.679569 6.807207\n0.006137 0.003731 7.971028\nTl Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.500000 Bi\n0.760183 0.760182 0.760182 Se\n0.239819 0.239818 0.239818 Se\n",
"nsites": 4,
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"elements": [
"Tl",
"Bi",
"Se"
],
"chemical_system": "Bi-Se-Tl",
"density": 7.816094901458785,
"density_atomic": 0.03295709204121832,
"volume": 121.36993139435164,
"volume_molar": 18.272670272208217,
"formula_full": "Tl1 Bi1 Se2",
"formula_reduced": "TlBiSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-40117",
"created_at": "2022-09-04T14:37:41.068538Z",
"updated_at": "2022-09-04T14:37:41.068557Z",
"structure_string": "Ag1 Br1\n1.0\n-0.000000 3.119005 3.119005\n3.119005 0.000000 3.119005\n3.119005 3.119005 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Br\n",
"nsites": 2,
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"elements": [
"Ag",
"Br"
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"density": 5.138095635568397,
"density_atomic": 0.03295731228203915,
"volume": 60.68456016329785,
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"formula_full": "Ag1 Br1",
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"spacegroup": 216
},
{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
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"elements": [
"B",
"Br"
],
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"density": 3.4276034592347093,
"density_atomic": 0.032957469786179486,
"volume": 121.36854030212525,
"volume_molar": 18.27246083837828,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"id": "jvasp-103217",
"created_at": "2022-09-04T14:38:40.565146Z",
"updated_at": "2022-09-04T14:38:40.565178Z",
"structure_string": "Sb2\n1.0\n4.411121 0.000000 0.000000\n0.000000 3.117958 0.013704\n0.000000 -0.019965 4.411976\nSb\n2\ndirect\n0.750000 0.000158 0.749967 Sb\n0.250000 0.999841 0.250033 Sb\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Sb",
"density": 6.663811780335396,
"density_atomic": 0.03295861740571138,
"volume": 60.68215712390355,
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"formula_full": "Sb2",
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"energy_above_hull": 0.0484999999999997,
"spacegroup": 221
},
{
"id": "jvasp-38303",
"created_at": "2022-09-04T14:37:54.622167Z",
"updated_at": "2022-09-04T14:37:54.622188Z",
"structure_string": "Rb1 Na2 Sb1\n1.0\n-0.000000 3.929580 3.929580\n3.929580 -0.000000 3.929580\n3.929580 3.929580 -0.000000\nRb Na Sb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Sb\n",
"nsites": 4,
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"elements": [
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"Na",
"Sb"
],
"chemical_system": "Na-Rb-Sb",
"density": 3.4646309924620877,
"density_atomic": 0.03296033305185026,
"volume": 121.35799701136382,
"volume_molar": 18.270873508852308,
"formula_full": "Rb1 Na2 Sb1",
"formula_reduced": "RbNa2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0049924999999999,
"spacegroup": 225
},
{
"id": "jvasp-123371",
"created_at": "2022-09-04T14:38:54.292981Z",
"updated_at": "2022-09-04T14:38:54.293009Z",
"structure_string": "Ar1 Zr1\n1.0\n1.524203 -2.639995 0.000000\n1.524203 2.639995 0.000000\n0.000000 0.000000 7.539728\nAr Zr\n1 1\ndirect\n0.666665 0.333333 0.250000 Ar\n0.333333 0.666665 0.750000 Zr\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ar-Zr",
"density": 3.5897040662334554,
"density_atomic": 0.032960850152582634,
"volume": 60.67804655345915,
"volume_molar": 18.270586869338192,
"formula_full": "Ar1 Zr1",
"formula_reduced": "ArZr",
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"spacegroup": 187
},
{
"id": "jvasp-65654",
"created_at": "2022-09-04T14:35:42.678306Z",
"updated_at": "2022-09-04T14:35:42.678325Z",
"structure_string": "Ba1 Tl1 Se2\n1.0\n4.183309 0.000000 0.000000\n-0.000000 4.183215 0.000000\n0.000000 0.000000 6.934720\nBa Tl Se\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.500000 0.499999 0.000000 Tl\n0.000000 0.000000 0.737645 Se\n0.000000 0.000000 0.262355 Se\n",
"nsites": 4,
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"density": 6.8365784894422195,
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"formula_full": "Ba1 Tl1 Se2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-25287",
"created_at": "2022-09-04T14:37:53.959067Z",
"updated_at": "2022-09-04T14:37:53.959088Z",
"structure_string": "Sb2\n1.0\n5.691054 1.959316 7.167172\n-4.146607 3.307439 1.029018\n-2.523228 -2.289806 -2.802117\nSb\n2\ndirect\n0.238825 0.770572 0.741498 Sb\n0.738671 0.270575 0.241181 Sb\n",
"nsites": 2,
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}