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{
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{
"id": "jvasp-36339",
"created_at": "2022-09-04T14:37:20.169440Z",
"updated_at": "2022-09-04T14:37:20.169458Z",
"structure_string": "Rb1 Te1\n1.0\n3.677684 3.677684 -0.000000\n3.677684 -0.000000 -3.677684\n0.000000 3.677684 -3.677684\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-36340",
"created_at": "2022-09-04T14:37:27.434737Z",
"updated_at": "2022-09-04T14:37:27.434765Z",
"structure_string": "Rb1 Te1\n1.0\n4.137609 4.137609 0.000000\n4.137609 -0.000000 -4.137609\n0.000000 4.137609 -4.137609\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.750000 0.750000 Te\n",
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"spacegroup": 216
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{
"id": "jvasp-9093",
"created_at": "2022-09-04T14:37:19.531348Z",
"updated_at": "2022-09-04T14:37:19.531381Z",
"structure_string": "Rb8 Te4\n1.0\n5.552510 -0.000000 0.000000\n-0.000000 8.888148 0.000000\n0.000000 0.000000 10.977699\nRb Te\n8 4\ndirect\n0.750000 0.969080 0.179327 Rb\n0.250000 0.030921 0.820673 Rb\n0.750000 0.469080 0.320673 Rb\n0.250000 0.530921 0.679327 Rb\n0.750000 0.847252 0.570974 Rb\n0.250000 0.152748 0.429026 Rb\n0.750000 0.347252 0.929026 Rb\n0.250000 0.652749 0.070974 Rb\n0.750000 0.753451 0.884839 Te\n0.250000 0.246549 0.115161 Te\n0.750000 0.253451 0.615161 Te\n0.250000 0.746549 0.384839 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Rb-Te",
"density": 3.66010269393922,
"density_atomic": 0.022149774057004565,
"volume": 541.7662486812213,
"volume_molar": 27.188271738128993,
"formula_full": "Rb8 Te4",
"formula_reduced": "Rb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-86754",
"created_at": "2022-09-04T14:36:21.260917Z",
"updated_at": "2022-09-04T14:36:21.260942Z",
"structure_string": "Rb8 Te4\n1.0\n5.553327 0.000000 0.000000\n0.000000 8.888047 0.000000\n0.000000 0.000000 10.975667\nRb Te\n8 4\ndirect\n0.250000 0.030861 0.179403 Rb\n0.750000 0.969139 0.820597 Rb\n0.750000 0.347256 0.071000 Rb\n0.250000 0.152745 0.571000 Rb\n0.250000 0.652745 0.929000 Rb\n0.250000 0.530862 0.320597 Rb\n0.750000 0.847256 0.429000 Rb\n0.750000 0.469139 0.679403 Rb\n0.250000 0.246568 0.884922 Te\n0.750000 0.253432 0.384922 Te\n0.250000 0.746568 0.615079 Te\n0.750000 0.753432 0.115078 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Rb-Te",
"density": 3.6602833367254184,
"density_atomic": 0.02215086724952781,
"volume": 541.7395113618319,
"volume_molar": 27.186929938954755,
"formula_full": "Rb8 Te4",
"formula_reduced": "Rb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 4.000000000001225e-05,
"spacegroup": 62
},
{
"id": "jvasp-14224",
"created_at": "2022-09-04T14:36:05.423477Z",
"updated_at": "2022-09-04T14:36:05.423493Z",
"structure_string": "Rb2 Te12\n1.0\n6.689890 -0.108697 -1.723258\n-3.055845 6.179616 -0.458497\n-0.025734 -0.016009 12.476417\nRb Te\n2 12\ndirect\n0.873793 0.623794 0.250000 Rb\n0.126206 0.376206 0.750000 Rb\n0.156330 0.228401 0.349964 Te\n0.378436 0.806367 0.150036 Te\n0.537004 0.760067 0.406989 Te\n0.853078 0.130015 0.093011 Te\n0.462996 0.239933 0.593011 Te\n0.146922 0.869985 0.906989 Te\n0.816122 0.223586 0.442620 Te\n0.280966 0.373503 0.057379 Te\n0.183878 0.776414 0.557379 Te\n0.719034 0.626497 0.942621 Te\n0.621563 0.193634 0.849964 Te\n0.843669 0.771599 0.650036 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Te",
"density": 5.528705997164173,
"density_atomic": 0.027384718377265964,
"volume": 511.23403232155977,
"volume_molar": 21.990880742448727,
"formula_full": "Rb2 Te12",
"formula_reduced": "RbTe6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.8392282452380952,
"spacegroup": 15
},
{
"id": "jvasp-38198",
"created_at": "2022-09-04T14:37:57.606778Z",
"updated_at": "2022-09-04T14:37:57.606802Z",
"structure_string": "Rb3 Tc1\n1.0\n-3.055171 3.055171 5.550507\n3.055171 -3.055171 5.550507\n3.055171 3.055171 -5.550507\nRb Tc\n3 1\ndirect\n0.750001 0.250001 0.500000 Rb\n0.250001 0.750001 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Rb-Tc",
"density": 2.8397707728600174,
"density_atomic": 0.01930173280076537,
"volume": 207.23527992478418,
"volume_molar": 31.200000653626315,
"formula_full": "Rb3 Tc1",
"formula_reduced": "Rb3Tc",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-38207",
"created_at": "2022-09-04T14:37:53.246872Z",
"updated_at": "2022-09-04T14:37:53.246891Z",
"structure_string": "Rb3 Tc1\n1.0\n-0.000548 4.542843 4.543188\n4.541178 0.000286 4.542355\n4.540934 4.541765 0.000530\nRb Tc\n3 1\ndirect\n0.000004 0.999992 0.999996 Rb\n0.499994 0.500007 0.500006 Rb\n0.250001 0.249999 0.250000 Rb\n0.750002 0.749999 0.749999 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
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"density": 3.1403340785744387,
"density_atomic": 0.02134464157074745,
"volume": 187.40066385007594,
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"formula_full": "Rb3 Tc1",
"formula_reduced": "Rb3Tc",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-16145",
"created_at": "2022-09-04T14:36:03.706829Z",
"updated_at": "2022-09-04T14:36:03.706851Z",
"structure_string": "Rb1 Yb1 S2\n1.0\n3.924593 -0.050796 6.848292\n1.784165 3.495964 6.848292\n-0.084171 -0.050796 7.892683\nYb Rb S\n1 1 2\ndirect\n0.500000 0.499998 0.500001 Yb\n0.000000 0.000000 0.000000 Rb\n0.768668 0.768666 0.768670 S\n0.231332 0.231331 0.231332 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Rb",
"S"
],
"chemical_system": "Rb-S-Yb",
"density": 4.792328761760224,
"density_atomic": 0.03578015766471257,
"volume": 111.79380587092594,
"volume_molar": 16.830950876270762,
"formula_full": "Rb1 Yb1 S2",
"formula_reduced": "RbYbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1451426749999999,
"spacegroup": 166
},
{
"id": "jvasp-80117",
"created_at": "2022-09-04T14:37:16.860434Z",
"updated_at": "2022-09-04T14:37:16.860458Z",
"structure_string": "Rb1 Yb1 S2\n1.0\n-2.070685 -3.586531 0.000000\n2.070685 -3.586531 0.000000\n-0.000000 -2.391021 7.524808\nYb Rb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Rb\n0.231356 0.231356 0.305931 S\n0.768643 0.768643 0.694069 S\n",
"nsites": 4,
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"elements": [
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"Rb",
"S"
],
"chemical_system": "Rb-S-Yb",
"density": 4.793473158529086,
"density_atomic": 0.03578870188170111,
"volume": 111.76711614804935,
"volume_molar": 16.826932644570554,
"formula_full": "Rb1 Yb1 S2",
"formula_reduced": "RbYbS2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-37111",
"created_at": "2022-09-04T14:38:02.811392Z",
"updated_at": "2022-09-04T14:38:02.811415Z",
"structure_string": "Rb1 Y1 S2\n1.0\n-2.028114 -3.512795 0.000000\n-4.056227 0.000000 0.000000\n-2.028114 -1.170932 -7.622008\nRb Y S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.499999 0.500000 Y\n0.768630 0.768628 0.694113 S\n0.231371 0.231370 0.305888 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.6466969133453144,
"density_atomic": 0.03683117156288759,
"volume": 108.60365908182362,
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"formula_full": "Rb1 Y1 S2",
"formula_reduced": "RbYS2",
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"spacegroup": 166
},
{
"id": "jvasp-1672",
"created_at": "2022-09-04T14:36:56.866216Z",
"updated_at": "2022-09-04T14:36:56.866238Z",
"structure_string": "Rb1 Tm1 S2\n1.0\n3.878309 0.006472 6.944976\n1.812766 3.428586 6.944976\n0.010723 0.006472 7.954487\nRb Tm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500001 Tm\n0.769470 0.769470 0.769471 S\n0.230530 0.230530 0.230530 S\n",
"nsites": 4,
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"elements": [
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"spacegroup": 166
},
{
"id": "jvasp-7826",
"created_at": "2022-09-04T14:37:05.514465Z",
"updated_at": "2022-09-04T14:37:05.514492Z",
"structure_string": "Rb1 Ti1 S2\n1.0\n3.378498 -0.118206 7.156604\n1.510183 3.024495 7.156604\n-0.198835 -0.118206 7.911492\nRb Ti S\n1 1 2\ndirect\n0.818071 0.818071 0.818073 Rb\n0.986873 0.986873 0.986875 Ti\n0.592983 0.592983 0.592985 S\n0.380070 0.380070 0.380071 S\n",
"nsites": 4,
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],
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"formula_full": "Rb1 Ti1 S2",
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}
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}