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{
"id": "jvasp-20775",
"created_at": "2022-09-04T14:37:41.987962Z",
"updated_at": "2022-09-04T14:37:41.987985Z",
"structure_string": "Mg24 P16\n1.0\n9.841071 0.000000 -3.479344\n-4.920535 8.522617 -3.479344\n-0.000000 0.000000 10.438031\nMg P\n24 16\ndirect\n0.525932 0.766449 0.533262 Mg\n0.025932 0.492671 0.759484 Mg\n0.233187 0.266449 0.740516 Mg\n0.266813 0.007329 0.033262 Mg\n0.233551 0.466739 0.474068 Mg\n0.759484 0.025932 0.492671 Mg\n0.266448 0.740517 0.233187 Mg\n0.033261 0.266813 0.007329 Mg\n0.492671 0.759484 0.025933 Mg\n0.740516 0.233187 0.266449 Mg\n0.007329 0.033261 0.266813 Mg\n0.474068 0.233552 0.466739 Mg\n0.466738 0.474068 0.233552 Mg\n0.766813 0.733552 0.259484 Mg\n0.974068 0.507329 0.240517 Mg\n0.992670 0.966739 0.733188 Mg\n0.259483 0.766813 0.733552 Mg\n0.966738 0.733187 0.992671 Mg\n0.507329 0.240516 0.974068 Mg\n0.240516 0.974068 0.507330 Mg\n0.533261 0.525932 0.766449 Mg\n0.766448 0.533262 0.525933 Mg\n0.733187 0.992671 0.966739 Mg\n0.733551 0.259484 0.766813 Mg\n0.773558 0.023558 0.750000 P\n0.976442 0.250000 0.226443 P\n0.476442 0.250000 0.726443 P\n0.726442 0.476443 0.250000 P\n0.750000 0.773558 0.023558 P\n0.750000 0.273558 0.523558 P\n0.226442 0.976443 0.250000 P\n0.500000 0.000000 0.000000 P\n0.273557 0.523558 0.750000 P\n0.250000 0.226442 0.976442 P\n-0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.023557 0.750000 0.773558 P\n0.523557 0.750000 0.273558 P\n0.250000 0.726443 0.476443 P\n",
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"formula_full": "Mg24 P16",
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"spacegroup": 206
},
{
"id": "jvasp-10204",
"created_at": "2022-09-04T14:38:15.130004Z",
"updated_at": "2022-09-04T14:38:15.130019Z",
"structure_string": "Mg6 P4\n1.0\n6.014290 0.000000 -0.000000\n-0.000000 6.014290 0.000000\n0.000000 -0.000000 6.014290\nMg P\n6 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.250000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.250000 0.750000 0.750000 P\n",
"nsites": 10,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-P",
"density": 2.0588147956240515,
"density_atomic": 0.045967078675997926,
"volume": 217.54699859187656,
"volume_molar": 13.100986474358026,
"formula_full": "Mg6 P4",
"formula_reduced": "Mg3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.60403563,
"spacegroup": 224
},
{
"id": "jvasp-37203",
"created_at": "2022-09-04T14:38:07.334063Z",
"updated_at": "2022-09-04T14:38:07.334092Z",
"structure_string": "Mg3 P3\n1.0\n-4.586266 1.247521 -1.207418\n-1.212748 -4.595584 1.207418\n-0.614201 1.063827 4.741029\nMg P\n3 3\ndirect\n0.205809 0.166501 0.372707 Mg\n0.833171 0.539142 0.627293 Mg\n0.460864 0.794196 1.000000 Mg\n0.709809 0.290390 0.123417 P\n0.333296 0.666627 0.500001 P\n0.957055 0.043142 0.876583 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
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"chemical_system": "Mg-P",
"density": 2.3530692054565683,
"density_atomic": 0.05126928847711113,
"volume": 117.02912558809285,
"volume_molar": 11.746097788520215,
"formula_full": "Mg3 P3",
"formula_reduced": "MgP",
"formula_anonymous": "AB",
"energy_above_hull": 0.4579122750000001,
"spacegroup": 155
},
{
"id": "jvasp-79096",
"created_at": "2022-09-04T14:37:12.131245Z",
"updated_at": "2022-09-04T14:37:12.131263Z",
"structure_string": "Mg3 Pa1\n1.0\n0.000089 3.613453 3.613487\n3.613571 0.000066 3.613510\n3.613546 3.613451 0.000090\nMg Pa\n3 1\ndirect\n-0.000000 0.999998 0.999997 Mg\n0.250000 0.249999 0.249998 Mg\n0.500002 0.500002 0.500005 Mg\n0.749999 0.750004 0.750002 Pa\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Pa",
"density": 5.348745957330921,
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"volume": 94.36273747039392,
"volume_molar": 14.206642188640963,
"formula_full": "Mg3 Pa1",
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"spacegroup": 225
},
{
"id": "jvasp-79046",
"created_at": "2022-09-04T14:36:42.873305Z",
"updated_at": "2022-09-04T14:36:42.873337Z",
"structure_string": "Mg1 Pa3\n1.0\n-2.305802 2.305802 4.594735\n2.305802 -2.305802 4.594735\n2.305802 2.305802 -4.594735\nMg Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Pa\n0.749998 0.250000 0.499999 Pa\n0.250000 0.749998 0.499999 Pa\n",
"nsites": 4,
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"density": 12.191401624933784,
"density_atomic": 0.04093506725636492,
"volume": 97.71573049945452,
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"formula_full": "Mg1 Pa3",
"formula_reduced": "MgPa3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-103615",
"created_at": "2022-09-04T14:36:41.861054Z",
"updated_at": "2022-09-04T14:36:41.861081Z",
"structure_string": "Mg2 Pb2\n1.0\n5.783306 -0.040595 1.596405\n4.743670 3.308454 1.596405\n-0.058293 -0.018096 5.418349\nMg Pb\n2 2\ndirect\n0.130043 0.130041 0.685936 Mg\n0.869960 0.869958 0.314062 Mg\n0.382176 0.382173 0.799668 Pb\n0.617826 0.617825 0.200331 Pb\n",
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"elements": [
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"density": 7.31825223853895,
"density_atomic": 0.03807394666456175,
"volume": 105.0587173229167,
"volume_molar": 15.81695959459137,
"formula_full": "Mg2 Pb2",
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"spacegroup": 12
},
{
"id": "jvasp-106564",
"created_at": "2022-09-04T14:36:55.072426Z",
"updated_at": "2022-09-04T14:36:55.072452Z",
"structure_string": "Mg2 Pb4\n1.0\n3.523064 0.000000 0.000000\n-1.761532 3.051063 0.000000\n-0.000000 -0.000000 15.942069\nMg Pb\n2 4\ndirect\n0.000000 0.000000 0.341972 Mg\n0.000000 0.000000 0.658028 Mg\n0.333333 0.666666 0.814700 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666666 0.185300 Pb\n0.333333 0.666666 0.500000 Pb\n",
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"density": 8.502277683290194,
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"volume": 171.3627379271491,
"volume_molar": 17.19950881360471,
"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.186500492,
"spacegroup": 187
},
{
"id": "jvasp-111281",
"created_at": "2022-09-04T14:38:51.740821Z",
"updated_at": "2022-09-04T14:38:51.740846Z",
"structure_string": "Mg2 Pb4\n1.0\n7.133738 0.133482 1.720461\n6.210334 3.512803 1.720461\n0.196320 0.053645 7.097246\nMg Pb\n2 4\ndirect\n0.338194 0.338193 0.066917 Mg\n0.661809 0.661804 0.933084 Mg\n0.011027 0.011025 0.750172 Pb\n0.321868 0.321865 0.623266 Pb\n0.678135 0.678132 0.376734 Pb\n0.988976 0.988972 0.249829 Pb\n",
"nsites": 6,
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"elements": [
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"volume": 170.74282601844692,
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"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-17807",
"created_at": "2022-09-04T14:38:11.261528Z",
"updated_at": "2022-09-04T14:38:11.261557Z",
"structure_string": "Mg2 Pb1\n1.0\n4.201383 0.000000 2.425669\n1.400461 3.961102 2.425669\n-0.000000 0.000000 4.851339\nMg Pb\n2 1\ndirect\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pb\n",
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},
{
"id": "jvasp-37204",
"created_at": "2022-09-04T14:38:07.377976Z",
"updated_at": "2022-09-04T14:38:07.378007Z",
"structure_string": "Mg3 Pb1\n1.0\n-2.285093 2.285093 4.605935\n2.285093 -2.285093 4.605935\n2.285093 2.285093 -4.605935\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:30.502770Z",
"updated_at": "2022-09-04T14:38:30.502797Z",
"structure_string": "Mg1 Pb3\n1.0\n1.768819 -3.063685 -0.000000\n1.768819 3.063685 -0.000000\n0.000000 -0.000000 10.802908\nMg Pb\n1 3\ndirect\n0.333333 0.666668 0.500000 Mg\n0.000000 0.000000 0.728874 Pb\n0.333333 0.666668 0.000000 Pb\n0.000000 0.000000 0.271126 Pb\n",
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},
{
"id": "jvasp-103283",
"created_at": "2022-09-04T14:36:33.289999Z",
"updated_at": "2022-09-04T14:36:33.290025Z",
"structure_string": "Mg2 Pb6\n1.0\n6.892298 0.000000 -0.000000\n-3.446149 5.968905 0.000000\n-0.000000 -0.000000 5.676842\nMg Pb\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666668 0.750000 Mg\n0.169908 0.339818 0.250000 Pb\n0.169909 0.830092 0.250000 Pb\n0.660183 0.830092 0.250000 Pb\n0.339818 0.169908 0.750000 Pb\n0.830092 0.169908 0.750000 Pb\n0.830092 0.660183 0.750000 Pb\n",
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]
}