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{
"id": "jvasp-92176",
"created_at": "2022-09-04T14:35:47.749073Z",
"updated_at": "2022-09-04T14:35:47.749097Z",
"structure_string": "K1 Zn4 P3\n1.0\n-2.029804 -3.515724 -0.000000\n2.029804 -3.515724 -0.000000\n-0.000000 -2.343816 11.465481\nK Zn P\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.303136 0.303136 0.090590 Zn\n0.696864 0.696864 0.909410 Zn\n0.087778 0.087778 0.736667 Zn\n0.912221 0.912221 0.263333 Zn\n0.233736 0.233736 0.298794 P\n0.766264 0.766264 0.701206 P\n0.000000 0.000000 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:35:59.032580Z",
"updated_at": "2022-09-04T14:35:59.032606Z",
"structure_string": "K4 Zn1 P2\n1.0\n5.370062 0.021277 7.593705\n2.429261 4.789228 7.593705\n0.034497 0.021277 9.300576\nK Zn P\n4 1 2\ndirect\n0.208425 0.208426 0.208425 K\n0.791574 0.791576 0.791573 K\n0.384729 0.384730 0.384728 K\n0.615271 0.615272 0.615270 K\n0.000000 0.000000 0.000000 Zn\n0.085094 0.085094 0.085094 P\n0.914905 0.914908 0.914905 P\n",
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"elements": [
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{
"id": "jvasp-907",
"created_at": "2022-09-04T14:37:49.640293Z",
"updated_at": "2022-09-04T14:37:49.640311Z",
"structure_string": "Kr1\n1.0\n3.440217 -0.000000 1.986210\n1.146739 3.243468 1.986210\n0.000000 -0.000000 3.972420\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
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"elements": [
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"volume": 44.325190923328506,
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"spacegroup": 225
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{
"id": "jvasp-25213",
"created_at": "2022-09-04T14:38:06.226235Z",
"updated_at": "2022-09-04T14:38:06.226267Z",
"structure_string": "Kr2\n1.0\n3.971785 0.000000 -0.000000\n-1.985893 3.439667 0.000000\n0.000000 0.000000 6.476293\nKr\n2\ndirect\n0.333333 0.666668 0.250000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 2,
"nelements": 1,
"elements": [
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"chemical_system": "Kr",
"density": 3.14545970953371,
"density_atomic": 0.02260483678878589,
"volume": 88.47663969828734,
"volume_molar": 26.64093891174452,
"formula_full": "Kr2",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy_above_hull": 3.450000000126962e-06,
"spacegroup": 194
},
{
"id": "jvasp-25392",
"created_at": "2022-09-04T14:38:01.616551Z",
"updated_at": "2022-09-04T14:38:01.616561Z",
"structure_string": "Kr4\n1.0\n3.967552 0.000000 -0.000000\n-1.983777 3.436001 0.000000\n0.000000 -0.000000 12.960822\nKr\n4\ndirect\n0.000000 0.000000 0.000000 Kr\n0.333333 0.666668 0.250000 Kr\n0.000000 0.000000 0.500000 Kr\n0.666667 0.333334 0.750000 Kr\n",
"nsites": 4,
"nelements": 1,
"elements": [
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],
"chemical_system": "Kr",
"density": 3.1501721455427734,
"density_atomic": 0.02263870269606158,
"volume": 176.68856973398366,
"volume_molar": 26.601085940528133,
"formula_full": "Kr4",
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"spacegroup": 194
},
{
"id": "jvasp-25391",
"created_at": "2022-09-04T14:37:45.826863Z",
"updated_at": "2022-09-04T14:37:45.826891Z",
"structure_string": "Kr3\n1.0\n1.983937 -3.436281 -0.000000\n1.983937 3.436281 0.000000\n0.000000 -2.290854 9.716998\nKr\n3\ndirect\n0.000000 0.000000 0.000000 Kr\n0.222204 0.777798 0.333389 Kr\n0.777797 0.222204 0.666611 Kr\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Kr",
"density": 3.15083273511077,
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"volume": 132.48864449612384,
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"formula_full": "Kr3",
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"spacegroup": 166
},
{
"id": "jvasp-25382",
"created_at": "2022-09-04T14:37:50.815680Z",
"updated_at": "2022-09-04T14:37:50.815710Z",
"structure_string": "Kr1\n1.0\n2.241033 2.241033 2.241033\n2.241033 -2.241033 -2.241033\n-2.241033 2.241033 -2.241033\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
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"elements": [
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"density": 3.090850536190855,
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"volume": 45.01992285736152,
"volume_molar": 27.111631245137247,
"formula_full": "Kr1",
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"formula_anonymous": "A",
"energy_above_hull": 0.0064600000000001,
"spacegroup": 229
},
{
"id": "jvasp-110442",
"created_at": "2022-09-04T14:38:38.481197Z",
"updated_at": "2022-09-04T14:38:38.481217Z",
"structure_string": "K2 Rb6\n1.0\n9.761519 0.000000 -0.000000\n-4.880759 8.453723 0.000000\n0.000000 -0.000000 7.932717\nK Rb\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.831538 0.168462 0.750000 Rb\n0.336924 0.168462 0.750000 Rb\n0.831538 0.663075 0.750000 Rb\n0.168462 0.831538 0.250000 Rb\n0.663075 0.831538 0.250000 Rb\n0.168462 0.336924 0.250000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.4991728150830113,
"density_atomic": 0.012220883628236737,
"volume": 654.6171490837003,
"volume_molar": 49.27745769614935,
"formula_full": "K2 Rb6",
"formula_reduced": "KRb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0067724999999999,
"spacegroup": 194
},
{
"id": "jvasp-39259",
"created_at": "2022-09-04T14:38:04.421547Z",
"updated_at": "2022-09-04T14:38:04.421579Z",
"structure_string": "K1 Rb3\n1.0\n-3.448900 3.448900 6.867870\n3.448900 -3.448900 6.867870\n3.448900 3.448900 -6.867870\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
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"elements": [
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"Rb"
],
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"density": 1.5016399689339115,
"density_atomic": 0.012240995252328012,
"volume": 326.7708154072908,
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"formula_full": "K1 Rb3",
"formula_reduced": "KRb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0069075,
"spacegroup": 139
},
{
"id": "jvasp-104585",
"created_at": "2022-09-04T14:36:46.070750Z",
"updated_at": "2022-09-04T14:36:46.070777Z",
"structure_string": "K3 Rb1\n1.0\n5.916436 -0.260388 -5.491160\n-1.301173 5.777454 -5.491160\n0.217826 0.260388 8.069052\nK Rb\n3 1\ndirect\n0.750001 0.250000 0.500000 K\n0.250001 0.750000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"elements": [
"K",
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],
"chemical_system": "K-Rb",
"density": 1.1585261817919252,
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"formula_full": "K3 Rb1",
"formula_reduced": "K3Rb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-106542",
"created_at": "2022-09-04T14:36:57.965976Z",
"updated_at": "2022-09-04T14:36:57.966003Z",
"structure_string": "K3 Rb1\n1.0\n6.432522 -0.000000 3.713818\n2.144174 6.064640 3.713818\n-0.000000 -0.000000 7.427636\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"volume": 289.7589897110094,
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"formula_full": "K3 Rb1",
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"spacegroup": 225
},
{
"id": "jvasp-38488",
"created_at": "2022-09-04T14:38:30.461465Z",
"updated_at": "2022-09-04T14:38:30.461496Z",
"structure_string": "K6 Rb2\n1.0\n4.723080 -8.180615 -0.000000\n4.723080 8.180615 0.000000\n-0.000000 -0.000000 7.685711\nK Rb\n6 2\ndirect\n0.835503 0.164497 0.250000 K\n0.835503 0.671006 0.250000 K\n0.328994 0.164497 0.250000 K\n0.164497 0.835503 0.750000 K\n0.164497 0.328994 0.750000 K\n0.671006 0.835503 0.750000 K\n0.666667 0.333333 0.750000 Rb\n0.333333 0.666667 0.250000 Rb\n",
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"formula_full": "K6 Rb2",
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}
]
}