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{
"count": 55712,
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{
"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": [
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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",
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"spacegroup": 224
},
{
"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",
"nsites": 40,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.0464279012186046,
"density_atomic": 0.04569051696151216,
"volume": 875.4551854533486,
"volume_molar": 13.180285889679926,
"formula_full": "Mg24 P16",
"formula_reduced": "Mg3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.56638163,
"spacegroup": 206
},
{
"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",
"P"
],
"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-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,
"nelements": 2,
"elements": [
"Mg",
"Pa"
],
"chemical_system": "Mg-Pa",
"density": 12.191401624933784,
"density_atomic": 0.04093506725636492,
"volume": 97.71573049945452,
"volume_molar": 14.711447088348507,
"formula_full": "Mg1 Pa3",
"formula_reduced": "MgPa3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.416157087500001,
"spacegroup": 139
},
{
"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": [
"Mg",
"Pa"
],
"chemical_system": "Mg-Pa",
"density": 5.348745957330921,
"density_atomic": 0.04238961381609971,
"volume": 94.36273747039392,
"volume_molar": 14.206642188640963,
"formula_full": "Mg3 Pa1",
"formula_reduced": "Mg3Pa",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6433325625,
"spacegroup": 225
},
{
"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",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 7.31825223853895,
"density_atomic": 0.03807394666456175,
"volume": 105.0587173229167,
"volume_molar": 15.81695959459137,
"formula_full": "Mg2 Pb2",
"formula_reduced": "MgPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.213490328,
"spacegroup": 12
},
{
"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",
"nsites": 8,
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"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 9.185064686885436,
"density_atomic": 0.03425503902477589,
"volume": 233.54228247160313,
"volume_molar": 17.580306230695935,
"formula_full": "Mg2 Pb6",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.200000574,
"spacegroup": 194
},
{
"id": "jvasp-107954",
"created_at": "2022-09-04T14:38:18.063553Z",
"updated_at": "2022-09-04T14:38:18.063563Z",
"structure_string": "Mg5 Pb1\n1.0\n4.988223 0.016592 3.641141\n1.859235 4.628811 3.641141\n0.024457 0.016592 6.175733\nMg Pb\n5 1\ndirect\n0.000001 0.671067 0.328932 Mg\n0.671067 0.328932 0.000000 Mg\n0.328933 -0.000000 0.671067 Mg\n0.830798 0.830796 0.830796 Mg\n0.169203 0.169203 0.169203 Mg\n0.500001 0.499999 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Mg-Pb",
"density": 3.849387171784266,
"density_atomic": 0.042311752491415375,
"volume": 141.80457311989946,
"volume_molar": 14.23278499566245,
"formula_full": "Mg5 Pb1",
"formula_reduced": "Mg5Pb",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"id": "jvasp-110822",
"created_at": "2022-09-04T14:38:48.073999Z",
"updated_at": "2022-09-04T14:38:48.074025Z",
"structure_string": "Mg5 Pb1\n1.0\n8.440450 0.006710 0.000000\n-7.783644 3.264373 0.000000\n-0.000000 -0.000000 5.168526\nMg Pb\n5 1\ndirect\n0.999773 0.000227 -0.000000 Mg\n0.335862 0.664137 -0.000000 Mg\n0.662528 0.337471 -0.000000 Mg\n0.449175 0.550825 0.500000 Mg\n0.109381 0.890618 0.500000 Mg\n0.776619 0.223381 0.500000 Pb\n",
"nsites": 6,
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"elements": [
"Mg",
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"density": 3.8258442921985893,
"density_atomic": 0.04205297350933065,
"volume": 142.67718782522547,
"volume_molar": 14.320368472074435,
"formula_full": "Mg5 Pb1",
"formula_reduced": "Mg5Pb",
"formula_anonymous": "AB5",
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"spacegroup": 38
},
{
"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",
"nsites": 6,
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"elements": [
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"volume": 171.3627379271491,
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"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.186500492,
"spacegroup": 187
},
{
"id": "jvasp-79048",
"created_at": "2022-09-04T14:36:43.707194Z",
"updated_at": "2022-09-04T14:36:43.707204Z",
"structure_string": "Mg1 Pb3\n1.0\n-2.416827 2.416827 5.003539\n2.416827 -2.416827 5.003539\n2.416827 2.416827 -5.003539\nMg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Pb\n0.750000 0.250000 0.500001 Pb\n0.250000 0.750000 0.500001 Pb\n",
"nsites": 4,
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"elements": [
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"density": 9.174646401760544,
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"volume": 116.90374090127969,
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"formula_full": "Mg1 Pb3",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-38642",
"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",
"nsites": 4,
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"elements": [
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"formula_full": "Mg1 Pb3",
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"spacegroup": 187
}
]
}