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{
"id": "jvasp-109319",
"created_at": "2022-09-04T14:38:19.273454Z",
"updated_at": "2022-09-04T14:38:19.273480Z",
"structure_string": "Yb4 Mg2\n1.0\n6.183083 -0.014830 0.000000\n-3.138630 5.327263 0.000000\n-0.000000 -0.000000 5.797914\nYb Mg\n4 2\ndirect\n0.657205 0.977817 0.250000 Yb\n0.022182 0.342794 0.750000 Yb\n0.977817 0.657205 0.250000 Yb\n0.342794 0.022182 0.750000 Yb\n0.669362 0.669362 0.750000 Mg\n0.330637 0.330637 0.250000 Mg\n",
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{
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"structure_string": "Yb5 Mg1\n1.0\n6.826016 -0.018221 1.821543\n5.789752 3.615744 1.821543\n0.046320 0.013209 8.548661\nYb Mg\n5 1\ndirect\n0.002732 0.002732 0.021909 Yb\n0.279839 0.279839 0.945484 Yb\n0.661066 0.661065 0.671753 Yb\n0.953220 0.953218 0.585758 Yb\n0.320263 0.320262 0.338210 Yb\n0.616213 0.616212 0.270215 Mg\n",
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{
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"created_at": "2022-09-04T14:36:45.877605Z",
"updated_at": "2022-09-04T14:36:45.877625Z",
"structure_string": "Yb2 Mg2\n1.0\n3.899448 -0.000000 0.000000\n0.000000 5.501144 0.000000\n0.000000 -0.000000 5.501134\nYb Mg\n2 2\ndirect\n-0.000000 0.749999 0.749854 Yb\n-0.000000 0.250000 0.250145 Yb\n0.500000 0.749999 0.249814 Mg\n0.500000 0.250000 0.750185 Mg\n",
"nsites": 4,
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"volume": 118.0071632427303,
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"formula_full": "Yb2 Mg2",
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"spacegroup": 221
},
{
"id": "jvasp-106617",
"created_at": "2022-09-04T14:36:52.823720Z",
"updated_at": "2022-09-04T14:36:52.823754Z",
"structure_string": "Yb1 Mg3\n1.0\n4.518713 -0.000000 2.608880\n1.506238 4.260284 2.608880\n-0.000000 -0.000000 5.217761\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.749999 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 4.0659989409844774,
"density_atomic": 0.03982194785400793,
"volume": 100.44712063469329,
"volume_molar": 15.12266748497059,
"formula_full": "Yb1 Mg3",
"formula_reduced": "YbMg3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-106399",
"created_at": "2022-09-04T14:36:52.248301Z",
"updated_at": "2022-09-04T14:36:52.248325Z",
"structure_string": "Yb2 Mg4\n1.0\n5.312001 -0.000000 3.066885\n1.770667 5.008203 3.066885\n-0.000000 -0.000000 6.133771\nYb Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.625000 0.125000 0.625001 Mg\n0.625000 0.625000 0.625001 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125001 Mg\n",
"nsites": 6,
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"volume": 163.1802634776714,
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"formula_full": "Yb2 Mg4",
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"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-107240",
"created_at": "2022-09-04T14:36:56.145331Z",
"updated_at": "2022-09-04T14:36:56.145362Z",
"structure_string": "Yb6 Mg2\n1.0\n7.225590 0.000000 0.000000\n-3.612796 6.257545 0.000000\n-0.000000 -0.000000 5.896482\nYb Mg\n6 2\ndirect\n0.169402 0.338805 0.250000 Yb\n0.169402 0.830597 0.250000 Yb\n0.661193 0.830597 0.250000 Yb\n0.338805 0.169403 0.750000 Yb\n0.830597 0.169403 0.750000 Yb\n0.830596 0.661194 0.750000 Yb\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666666 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"volume": 266.60621755044474,
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"formula_full": "Yb6 Mg2",
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"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-106283",
"created_at": "2022-09-04T14:38:39.010227Z",
"updated_at": "2022-09-04T14:38:39.010247Z",
"structure_string": "Yb5 Mg1\n1.0\n5.671659 -0.004420 4.177807\n2.109037 5.264950 4.177807\n-0.006537 -0.004420 7.044270\nYb Mg\n5 1\ndirect\n0.840168 0.500000 0.159833 Yb\n0.500000 0.159832 0.840168 Yb\n0.159833 0.840168 0.500000 Yb\n0.664906 0.664905 0.664906 Yb\n0.335095 0.335095 0.335095 Yb\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 210.62431541832677,
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"formula_full": "Yb5 Mg1",
"formula_reduced": "Yb5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0021033333333333,
"spacegroup": 155
},
{
"id": "jvasp-20392",
"created_at": "2022-09-04T14:37:47.174144Z",
"updated_at": "2022-09-04T14:37:47.174163Z",
"structure_string": "Yb4 Mg8\n1.0\n3.087312 -5.347383 0.000000\n3.087312 5.347383 -0.000000\n-0.000000 -0.000000 9.997388\nYb Mg\n4 8\ndirect\n0.666667 0.333333 0.061024 Yb\n0.333333 0.666667 0.561024 Yb\n0.333333 0.666667 0.938976 Yb\n0.666667 0.333333 0.438976 Yb\n0.168750 0.337500 0.250000 Mg\n0.337500 0.168750 0.750000 Mg\n0.831249 0.168750 0.750000 Mg\n0.168750 0.831249 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.831249 0.662499 0.750000 Mg\n0.662499 0.831249 0.250000 Mg\n",
"nsites": 12,
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"density": 4.460037079021514,
"density_atomic": 0.036353220519695945,
"volume": 330.0945508665037,
"volume_molar": 16.565632078558878,
"formula_full": "Yb4 Mg8",
"formula_reduced": "YbMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0840357142857142,
"spacegroup": 194
},
{
"id": "jvasp-37484",
"created_at": "2022-09-04T14:38:06.794437Z",
"updated_at": "2022-09-04T14:38:06.794463Z",
"structure_string": "Yb3 Mg1\n1.0\n5.119612 -0.000000 -0.000000\n0.000000 5.119612 -0.000000\n0.000000 0.000000 5.119612\nYb Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"volume": 134.18721675069744,
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"formula_full": "Yb3 Mg1",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0780792857142856,
"spacegroup": 221
},
{
"id": "jvasp-109317",
"created_at": "2022-09-04T14:38:06.783299Z",
"updated_at": "2022-09-04T14:38:06.783322Z",
"structure_string": "Yb5 Mg1\n1.0\n9.548088 0.035148 0.000000\n-8.820494 3.655968 0.000000\n-0.000000 -0.000000 5.966599\nYb Mg\n5 1\ndirect\n0.997398 0.002603 -0.000000 Yb\n0.326837 0.673164 -0.000000 Yb\n0.665832 0.334170 -0.000000 Yb\n0.439789 0.560213 0.500000 Yb\n0.121704 0.878297 0.500000 Yb\n0.781777 0.218225 0.500000 Mg\n",
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"volume": 210.1288608573784,
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"formula_full": "Yb5 Mg1",
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"spacegroup": 38
},
{
"id": "jvasp-102135",
"created_at": "2022-09-04T14:36:43.109056Z",
"updated_at": "2022-09-04T14:36:43.109071Z",
"structure_string": "Yb4 Mg2\n1.0\n9.281897 0.040467 -0.000000\n-8.557245 3.595665 0.000000\n-0.000000 -0.000000 5.786737\nYb Mg\n4 2\ndirect\n0.593299 0.406703 0.750000 Yb\n0.280356 0.719646 0.750000 Yb\n0.406703 0.593299 0.250000 Yb\n0.719646 0.280356 0.250000 Yb\n0.937844 0.062158 0.750000 Mg\n0.062158 0.937844 0.250000 Mg\n",
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"formula_full": "Yb4 Mg2",
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"spacegroup": 63
},
{
"id": "jvasp-102575",
"created_at": "2022-09-04T14:36:46.989923Z",
"updated_at": "2022-09-04T14:36:46.989954Z",
"structure_string": "Yb1 Mg3\n1.0\n4.423840 -0.237768 -2.766185\n-1.480336 4.175583 -2.766185\n0.177731 0.237768 5.214456\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.249999 0.749999 0.500001 Mg\n",
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}