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{
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{
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},
{
"id": "mp-1216080",
"created_at": "2022-09-04T14:42:42.110699Z",
"structure_string": "Y2 Fe1 Si4\n1.0\n0.000000 0.000000 4.003647\n4.106284 0.000000 0.000000\n2.053142 7.586501 0.000000\nY Fe Si\n2 1 4\ndirect\n0.250000 0.897201 0.205597 Y\n0.750000 0.099112 0.801776 Y\n0.250000 0.693455 0.613090 Fe\n0.250000 0.544316 0.911368 Si\n0.750000 0.440847 0.118306 Si\n0.250000 0.254252 0.491495 Si\n0.750000 0.754817 0.490367 Si\n",
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{
"id": "mp-1197924",
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"structure_string": "Y4 Ga4 Co30\n1.0\n0.000000 0.000000 -8.195349\n-4.176915 -7.250874 0.000000\n-4.176915 7.250874 0.000000\nY Ga Co\n4 4 30\ndirect\n0.750000 0.000124 0.999876 Y\n0.250000 0.999876 0.000124 Y\n0.250000 0.667113 0.332887 Y\n0.750000 0.332887 0.667113 Y\n0.595621 0.666936 0.333064 Ga\n0.404379 0.333064 0.666936 Ga\n0.095621 0.333064 0.666936 Ga\n0.904379 0.666936 0.333064 Ga\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.750000 0.672574 0.046944 Co\n0.750000 0.374216 0.327378 Co\n0.750000 0.953310 0.625728 Co\n0.750000 0.374272 0.046690 Co\n0.750000 0.953056 0.327426 Co\n0.750000 0.672622 0.625784 Co\n0.250000 0.327426 0.953056 Co\n0.250000 0.625784 0.672622 Co\n0.250000 0.046690 0.374272 Co\n0.250000 0.625728 0.953310 Co\n0.250000 0.046944 0.672574 Co\n0.250000 0.327378 0.374216 Co\n0.474666 0.837787 0.674901 Co\n0.474296 0.837358 0.162642 Co\n0.474666 0.325099 0.162213 Co\n0.525334 0.162213 0.325099 Co\n0.525704 0.162642 0.837358 Co\n0.525334 0.674901 0.837787 Co\n0.974666 0.162213 0.325099 Co\n0.974296 0.162642 0.837358 Co\n0.974666 0.674901 0.837787 Co\n0.025334 0.837787 0.674901 Co\n0.025704 0.837358 0.162642 Co\n0.025334 0.325099 0.162213 Co\n",
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"spacegroup": 194
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{
"id": "mp-1188725",
"created_at": "2022-09-04T14:40:08.775264Z",
"structure_string": "Y2 Ga2 Fe15\n1.0\n4.227099 2.440517 4.164608\n-4.227099 2.440517 4.164608\n0.000000 -4.881033 4.164608\nY Ga Fe\n2 2 15\ndirect\n0.652747 0.652747 0.652747 Y\n0.347253 0.347253 0.347253 Y\n0.897165 0.897165 0.897165 Ga\n0.102835 0.102835 0.102835 Ga\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.299366 0.700634 0.000000 Fe\n0.700634 0.000000 0.299366 Fe\n0.000000 0.299366 0.700634 Fe\n0.299366 0.000000 0.700634 Fe\n0.000000 0.700634 0.299366 Fe\n0.700634 0.299366 0.000000 Fe\n0.341687 0.341687 0.840376 Fe\n0.341687 0.840376 0.341687 Fe\n0.840376 0.341687 0.341687 Fe\n0.658313 0.658313 0.159624 Fe\n0.658313 0.159624 0.658313 Fe\n0.159624 0.658313 0.658313 Fe\n",
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{
"id": "mp-1216072",
"created_at": "2022-09-04T14:46:55.495480Z",
"structure_string": "Y2 Ga3 Ag1\n1.0\n2.258232 -3.911372 0.000000\n2.258232 3.911372 0.000000\n0.000000 0.000000 7.235420\nY Ga Ag\n2 3 1\ndirect\n0.333333 0.666667 0.240312 Y\n0.333333 0.666667 0.757738 Y\n0.000000 0.000000 0.970277 Ga\n0.000000 0.000000 0.547734 Ga\n0.666667 0.333333 0.454450 Ga\n0.666667 0.333333 0.029488 Ag\n",
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{
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"structure_string": "Y4 Ga18 Co6\n1.0\n3.697610 -6.380726 0.000000\n3.697610 6.380726 0.000000\n0.000000 0.000000 9.461641\nY Ga Co\n4 18 6\ndirect\n0.668110 0.996827 0.750000 Y\n0.331890 0.003173 0.250000 Y\n0.996827 0.668110 0.750000 Y\n0.003173 0.331890 0.250000 Y\n0.999454 0.665972 0.071362 Ga\n0.665972 0.999454 0.428638 Ga\n0.999454 0.665972 0.428638 Ga\n0.000546 0.334028 0.928638 Ga\n0.665972 0.999454 0.071362 Ga\n0.334028 0.000546 0.928638 Ga\n0.665878 0.665878 0.557341 Ga\n0.334122 0.334122 0.057341 Ga\n0.665878 0.665878 0.942659 Ga\n0.334122 0.334122 0.442659 Ga\n0.121278 0.121278 0.750000 Ga\n0.878722 0.878722 0.250000 Ga\n0.663771 0.450441 0.250000 Ga\n0.336229 0.549559 0.750000 Ga\n0.450441 0.663771 0.250000 Ga\n0.549559 0.336229 0.750000 Ga\n0.334028 0.000546 0.571362 Ga\n0.000546 0.334028 0.571362 Ga\n0.670946 0.329054 0.000000 Co\n0.329054 0.670946 0.500000 Co\n0.329054 0.670946 0.000000 Co\n0.670946 0.329054 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
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{
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{
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{
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{
"id": "mp-1207736",
"created_at": "2022-09-04T14:47:11.968635Z",
"structure_string": "Y4 Ga18 Ir6\n1.0\n3.804754 -6.581566 0.000000\n3.804754 6.581566 0.000000\n0.000000 0.000000 9.516836\nY Ga Ir\n4 18 6\ndirect\n0.996879 0.667769 0.250000 Y\n0.003121 0.332231 0.750000 Y\n0.667769 0.996879 0.250000 Y\n0.332231 0.003121 0.750000 Y\n0.126959 0.126959 0.250000 Ga\n0.873041 0.873041 0.750000 Ga\n0.999450 0.333813 0.079722 Ga\n0.000550 0.666187 0.920278 Ga\n0.000550 0.666187 0.579722 Ga\n0.333813 0.999450 0.420278 Ga\n0.999450 0.333813 0.420278 Ga\n0.666187 0.000550 0.579722 Ga\n0.666187 0.000550 0.920278 Ga\n0.333813 0.999450 0.079722 Ga\n0.332963 0.332963 0.563380 Ga\n0.667037 0.667037 0.436620 Ga\n0.667037 0.667037 0.063380 Ga\n0.332963 0.332963 0.936620 Ga\n0.338727 0.545748 0.250000 Ga\n0.661273 0.454252 0.750000 Ga\n0.545748 0.338727 0.250000 Ga\n0.454252 0.661273 0.750000 Ga\n0.671419 0.328581 0.000000 Ir\n0.328581 0.671419 0.000000 Ir\n0.328581 0.671419 0.500000 Ir\n0.671419 0.328581 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Y",
"density": 9.629399617933622,
"density_atomic": 0.05874617940967668,
"volume": 476.6267403491407,
"volume_molar": 10.251119001294631,
"formula_full": "Y4 Ga18 Ir6",
"formula_reduced": "Y2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -152.31814415,
"energy_per_atom": -5.439933719642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.31814415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.575000Z",
"spacegroup": 63
},
{
"id": "mp-1216091",
"created_at": "2022-09-04T14:42:06.294605Z",
"structure_string": "Y2 Ga3 Ni1\n1.0\n2.138628 -3.704213 0.000000\n2.138628 3.704213 0.000000\n0.000000 0.000000 7.544618\nY Ga Ni\n2 3 1\ndirect\n0.333333 0.666667 0.771403 Y\n0.333333 0.666667 0.237365 Y\n0.666667 0.333333 0.013034 Ga\n0.666667 0.333333 0.461331 Ga\n0.000000 0.000000 0.543616 Ga\n0.000000 0.000000 0.973251 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Y",
"density": 6.191103186588378,
"density_atomic": 0.050194114751838895,
"volume": 119.53592626673799,
"volume_molar": 11.99770289758796,
"formula_full": "Y2 Ga3 Ni1",
"formula_reduced": "Y2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy": -31.59918083,
"energy_per_atom": -5.266530138333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.59918083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0297364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.079000Z",
"spacegroup": 156
}
]
}