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{
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{
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{
"id": "mp-1216196",
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"spacegroup": 8
},
{
"id": "mp-1104965",
"created_at": "2022-09-04T14:40:08.790029Z",
"structure_string": "Y3 Ga8 Rh3\n1.0\n-2.111627 4.927910 6.176140\n2.111627 -4.927910 6.176140\n2.111627 4.927910 -6.176140\nY Ga Rh\n3 8 3\ndirect\n0.500000 0.500000 0.000000 Y\n0.173360 0.173360 0.000000 Y\n0.826640 0.826640 0.000000 Y\n0.092767 0.376935 0.715833 Ga\n0.907233 0.623065 0.284167 Ga\n0.661102 0.376935 0.284167 Ga\n0.338898 0.623065 0.715833 Ga\n0.797467 0.167357 0.630110 Ga\n0.202533 0.832643 0.369890 Ga\n0.537246 0.167357 0.369890 Ga\n0.462754 0.832643 0.630110 Ga\n0.000000 0.500000 0.500000 Rh\n0.780486 0.000000 0.780486 Rh\n0.219514 0.000000 0.219514 Rh\n",
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"formula_full": "Y3 Ga8 Rh3",
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"updated_at": "2021-11-28T01:34:52.893000Z",
"spacegroup": 71
},
{
"id": "mp-1207797",
"created_at": "2022-09-04T14:45:30.872607Z",
"structure_string": "Y3 Ga9 Cu2\n1.0\n-2.100981 5.007362 6.083481\n2.100981 -5.007362 6.083481\n2.100981 5.007362 -6.083481\nY Ga Cu\n3 9 2\ndirect\n0.316230 0.316230 0.000000 Y\n0.683770 0.683770 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.712786 0.341431 0.371355 Ga\n0.287214 0.658569 0.628645 Ga\n0.970077 0.341431 0.628645 Ga\n0.029923 0.658569 0.371355 Ga\n0.411166 0.132525 0.278641 Ga\n0.588834 0.867475 0.721359 Ga\n0.853884 0.132525 0.721359 Ga\n0.146116 0.867475 0.278641 Ga\n0.500000 0.000000 0.500000 Ga\n0.711892 0.500000 0.211892 Cu\n0.288108 0.500000 0.788108 Cu\n",
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"formula_full": "Y3 Ga9 Cu2",
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"spacegroup": 71
},
{
"id": "mp-1104240",
"created_at": "2022-09-04T14:39:13.054971Z",
"structure_string": "Y3 Ga9 Pt2\n1.0\n-2.141201 4.856213 6.276800\n2.141201 -4.856213 6.276800\n2.141201 4.856213 -6.276800\nY Ga Pt\n3 9 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.304558 0.304558 0.000000 Y\n0.695442 0.695442 0.000000 Y\n0.500000 0.000000 0.500000 Ga\n0.974478 0.343510 0.630968 Ga\n0.025522 0.656490 0.369032 Ga\n0.712542 0.343510 0.369032 Ga\n0.287458 0.656490 0.630968 Ga\n0.855969 0.138150 0.717820 Ga\n0.144031 0.861850 0.282180 Ga\n0.420330 0.138150 0.282180 Ga\n0.579670 0.861850 0.717820 Ga\n0.306680 0.500000 0.806680 Pt\n0.693320 0.500000 0.193320 Pt\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ga-Pt-Y",
"density": 8.169461462017802,
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"volume": 261.0678826310554,
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"formula_full": "Y3 Ga9 Pt2",
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"formula_anonymous": "A2B3C9",
"energy": -68.27333384,
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"updated_at": "2021-11-28T01:34:32.996000Z",
"spacegroup": 71
},
{
"id": "mp-10601",
"created_at": "2022-09-04T14:41:48.994184Z",
"structure_string": "Y3 Ga1 C1\n1.0\n4.870727 0.000000 0.000000\n0.000000 4.870727 0.000000\n0.000000 0.000000 4.870727\nY Ga C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"elements": [
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"volume": 115.55303728109291,
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"formula_full": "Y3 Ga1 C1",
"formula_reduced": "Y3GaC",
"formula_anonymous": "ABC3",
"energy": -34.04711395,
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"updated_at": "2021-11-28T01:35:41.704000Z",
"spacegroup": 221
},
{
"id": "mp-21491",
"created_at": "2022-09-04T14:40:56.769513Z",
"structure_string": "Y6 Ga2 Co6\n1.0\n2.064282 -4.982831 0.000000\n2.064282 4.982831 0.000000\n0.000000 0.000000 12.895086\nY Ga Co\n6 2 6\ndirect\n0.000277 0.999723 0.250000 Y\n0.999723 0.000277 0.750000 Y\n0.708457 0.291543 0.602977 Y\n0.291543 0.708457 0.397023 Y\n0.291543 0.708457 0.102977 Y\n0.708457 0.291543 0.897023 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.696574 0.303426 0.250000 Co\n0.303426 0.696574 0.750000 Co\n0.418325 0.581675 0.595839 Co\n0.581675 0.418325 0.404161 Co\n0.581675 0.418325 0.095839 Co\n0.418325 0.581675 0.904161 Co\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.4254016693729925,
"density_atomic": 0.052775045182529685,
"volume": 265.27689273555507,
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"formula_full": "Y6 Ga2 Co6",
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"updated_at": "2021-11-28T01:34:57.438000Z",
"spacegroup": 63
},
{
"id": "mp-1216523",
"created_at": "2022-09-04T14:40:15.689908Z",
"structure_string": "Y12 Ga4 Fe16 O48\n1.0\n-6.257887 6.257887 6.261067\n6.257887 -6.257887 6.261067\n6.257887 6.257887 -6.261067\nY Ga Fe O\n12 4 16 48\ndirect\n0.375000 0.500199 0.625199 Y\n0.875000 0.749801 0.374801 Y\n0.749585 0.625000 0.624585 Y\n0.000415 0.125000 0.375415 Y\n0.999580 0.499580 0.500000 Y\n0.750420 0.750420 0.000000 Y\n0.875000 0.250415 0.875415 Y\n0.375000 0.999585 0.124585 Y\n0.499801 0.125000 0.874801 Y\n0.250199 0.625000 0.125199 Y\n0.249580 0.249580 0.000000 Y\n0.500420 0.000420 0.500000 Y\n0.375000 0.249815 0.374815 Ga\n0.875000 0.000185 0.625185 Ga\n0.999815 0.625000 0.874815 Ga\n0.750185 0.125000 0.125185 Ga\n0.626124 0.875821 0.750732 Fe\n0.123876 0.374608 0.749697 Fe\n0.624911 0.374179 0.250303 Fe\n0.125089 0.875392 0.249268 Fe\n0.625392 0.375089 0.749268 Fe\n0.124179 0.874911 0.750303 Fe\n0.124608 0.373876 0.249697 Fe\n0.625821 0.876124 0.250732 Fe\n0.250000 0.750000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.875000 0.500107 0.125107 Fe\n0.375000 0.749893 0.874893 Fe\n0.250107 0.125000 0.625107 Fe\n0.499893 0.625000 0.374893 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.532360 0.750204 0.834147 O\n0.217640 0.551787 0.717844 O\n0.833943 0.499796 0.282156 O\n0.916057 0.698213 0.165853 O\n0.657261 0.583999 0.374780 O\n0.540781 0.666001 0.573262 O\n0.209219 0.282481 0.625220 O\n0.092739 0.967519 0.426738 O\n0.948110 0.290814 0.540890 O\n0.749924 0.407221 0.459110 O\n0.801890 0.842779 0.842703 O\n0.000076 0.959186 0.157297 O\n0.719904 0.998638 0.665748 O\n0.030096 0.195844 0.778734 O\n0.417110 0.251362 0.221266 O\n0.332890 0.054156 0.334252 O\n0.596315 0.166760 0.126766 O\n0.710006 0.083240 0.929554 O\n0.039994 0.469548 0.873234 O\n0.153685 0.780452 0.070446 O\n0.300952 0.458346 0.957938 O\n0.500407 0.343014 0.042062 O\n0.449048 0.906986 0.657393 O\n0.249593 0.791654 0.342607 O\n0.448213 0.166057 0.665853 O\n0.249796 0.083943 0.782156 O\n0.301787 0.467640 0.217844 O\n0.500204 0.782360 0.334147 O\n0.032481 0.459219 0.125220 O\n0.717519 0.342739 0.926738 O\n0.333999 0.907261 0.874780 O\n0.416001 0.790781 0.073262 O\n0.157221 0.999924 0.959110 O\n0.040814 0.198110 0.040890 O\n0.709186 0.250076 0.657297 O\n0.592779 0.051890 0.342703 O\n0.804156 0.582890 0.834252 O\n0.001362 0.667110 0.721266 O\n0.945844 0.280096 0.278734 O\n0.748638 0.969904 0.165748 O\n0.219548 0.289994 0.373234 O\n0.530452 0.403685 0.570446 O\n0.916760 0.846315 0.626766 O\n0.833240 0.960006 0.429554 O\n0.093014 0.750407 0.542062 O\n0.208346 0.550952 0.457938 O\n0.541654 0.499593 0.842607 O\n0.656986 0.699048 0.157393 O\n",
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"volume": 980.7623283943557,
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"formula_full": "Y12 Ga4 Fe16 O48",
"formula_reduced": "Y3Ga(FeO3)4",
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"spacegroup": 122
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{
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"structure_string": "Y6 Ga4 Ni12\n1.0\n-4.453627 4.453627 4.453627\n4.453627 -4.453627 4.453627\n4.453627 4.453627 -4.453627\nY Ga Ni\n6 4 12\ndirect\n0.710014 0.710014 0.000000 Y\n0.289986 0.000000 0.289986 Y\n0.000000 0.289986 0.289986 Y\n0.289986 0.289986 0.000000 Y\n0.710014 0.000000 0.710014 Y\n0.000000 0.710014 0.710014 Y\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.336122 0.336122 0.672245 Ni\n0.663878 0.000000 0.336122 Ni\n0.000000 0.663878 0.336122 Ni\n0.663878 0.336122 0.000000 Ni\n0.336122 0.672245 0.336122 Ni\n0.000000 0.336122 0.663878 Ni\n0.336122 0.663878 0.000000 Ni\n0.336122 0.000000 0.663878 Ni\n0.672245 0.336122 0.336122 Ni\n0.663878 0.663878 0.327755 Ni\n0.663878 0.327755 0.663878 Ni\n0.327755 0.663878 0.663878 Ni\n",
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{
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"structure_string": "Y6 Ga2 O12\n1.0\n4.467376 -5.604435 0.000000\n4.467376 5.604435 0.000000\n0.000000 0.000000 5.457112\nY Ga O\n6 2 12\ndirect\n0.088222 0.298468 0.468469 Y\n0.701532 0.911778 0.468469 Y\n0.398011 0.601989 0.922182 Y\n0.601989 0.398011 0.422182 Y\n0.911778 0.701532 0.968469 Y\n0.298468 0.088222 0.968469 Y\n0.194515 0.805485 0.499036 Ga\n0.805485 0.194515 0.999036 Ga\n0.323167 0.356294 0.196938 O\n0.785149 0.214851 0.661362 O\n0.577605 0.106840 0.178217 O\n0.676833 0.643706 0.696938 O\n0.422395 0.893160 0.678217 O\n0.356294 0.323167 0.696938 O\n0.893160 0.422395 0.178217 O\n0.959642 0.040358 0.139390 O\n0.106840 0.577605 0.678217 O\n0.040358 0.959642 0.639390 O\n0.643706 0.676833 0.196938 O\n0.214851 0.785149 0.161362 O\n",
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"spacegroup": 36
},
{
"id": "mp-1189598",
"created_at": "2022-09-04T14:42:38.672861Z",
"structure_string": "Y6 Ga2 S12\n1.0\n5.365428 -6.672771 0.000000\n5.365428 6.672771 0.000000\n0.000000 0.000000 6.491328\nY Ga S\n6 2 12\ndirect\n0.284193 0.085285 0.224341 Y\n0.914715 0.715807 0.224341 Y\n0.715807 0.914715 0.724341 Y\n0.085285 0.284193 0.724341 Y\n0.400881 0.599119 0.141137 Y\n0.599119 0.400881 0.641137 Y\n0.201360 0.798640 0.761495 Ga\n0.798640 0.201360 0.261495 Ga\n0.567748 0.101130 0.441020 S\n0.898870 0.432252 0.441020 S\n0.432252 0.898870 0.941020 S\n0.101130 0.567748 0.941020 S\n0.634140 0.689811 0.433475 S\n0.310189 0.365860 0.433475 S\n0.365860 0.310189 0.933475 S\n0.689811 0.634140 0.933475 S\n0.217702 0.782298 0.410351 S\n0.782298 0.217702 0.910351 S\n0.959662 0.040338 0.404346 S\n0.040338 0.959662 0.904346 S\n",
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"elements": [
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"chemical_system": "Ga-S-Y",
"density": 3.7785179283822705,
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{
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"structure_string": "Y6 Ge2\n1.0\n3.362720 -5.824402 0.000000\n3.362720 5.824402 0.000000\n0.000000 0.000000 5.319685\nY Ge\n6 2\ndirect\n0.173942 0.347884 0.250000 Y\n0.652116 0.826058 0.250000 Y\n0.173942 0.826058 0.250000 Y\n0.826058 0.652116 0.750000 Y\n0.347884 0.173942 0.750000 Y\n0.826058 0.173942 0.750000 Y\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
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"elements": [
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],
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"formula_full": "Y6 Ge2",
"formula_reduced": "Y3Ge",
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"updated_at": "2021-11-28T01:36:57.783000Z",
"spacegroup": 194
}
]
}