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{
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"results": [
{
"id": "mp-1185090",
"created_at": "2022-09-04T14:46:52.040991Z",
"structure_string": "K3 Rb1\n1.0\n0.000000 5.415650 5.415650\n5.415650 0.000000 5.415650\n5.415650 5.415650 0.000000\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
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{
"id": "mp-976115",
"created_at": "2022-09-04T14:40:42.539403Z",
"structure_string": "K6 Rb2\n1.0\n4.799152 -8.312374 0.000000\n4.799152 8.312374 0.000000\n0.000000 0.000000 7.808540\nK Rb\n6 2\ndirect\n0.165220 0.330441 0.250000 K\n0.669559 0.834780 0.250000 K\n0.165220 0.834780 0.250000 K\n0.834780 0.669559 0.750000 K\n0.330441 0.165220 0.750000 K\n0.834780 0.165220 0.750000 K\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
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"updated_at": "2021-11-28T01:35:03.322000Z",
"spacegroup": 194
},
{
"id": "mp-1237171",
"created_at": "2022-09-04T14:39:45.671921Z",
"structure_string": "K6 Pu6\n1.0\n7.068106 4.080773 3.140191\n-7.068106 4.080773 3.140191\n0.000000 -8.161546 3.140191\nK Pu\n6 6\ndirect\n0.600988 0.548773 0.848805 K\n0.848805 0.600988 0.548773 K\n0.548773 0.848805 0.600988 K\n0.399012 0.451227 0.151195 K\n0.151195 0.399012 0.451227 K\n0.451227 0.151195 0.399012 K\n0.318203 0.809944 0.959137 Pu\n0.959137 0.318203 0.809944 Pu\n0.809944 0.959137 0.318203 Pu\n0.681797 0.190056 0.040863 Pu\n0.040863 0.681797 0.190056 Pu\n0.190056 0.040863 0.681797 Pu\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "K-Pu",
"density": 5.190208484819485,
"density_atomic": 0.022081493304714813,
"volume": 543.4415070758722,
"volume_molar": 27.27234375364532,
"formula_full": "K6 Pu6",
"formula_reduced": "KPu",
"formula_anonymous": "AB",
"energy": -82.02501092,
"energy_per_atom": -6.835417576666667,
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"total_magnetization": 41.8759142,
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"updated_at": "2021-11-28T01:34:36.766000Z",
"spacegroup": 148
},
{
"id": "mp-1182556",
"created_at": "2022-09-04T14:42:53.641663Z",
"structure_string": "K6 Pu6\n1.0\n4.572264 3.871177 -0.010458\n-8.264464 7.879998 7.307506\n-1.863360 -6.539479 5.104976\nK Pu\n6 6\ndirect\n0.185556 0.855990 0.201762 K\n0.424451 0.330981 0.892281 K\n0.127960 0.868253 0.685479 K\n0.814444 0.144010 0.798238 K\n0.575549 0.669019 0.107719 K\n0.872040 0.131747 0.314521 K\n0.088882 0.490257 0.169578 Pu\n0.457172 0.385359 0.325714 Pu\n0.174038 0.483963 0.485945 Pu\n0.911118 0.509743 0.830422 Pu\n0.542828 0.614641 0.674286 Pu\n0.825962 0.516037 0.514055 Pu\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "K-Pu",
"density": 5.505501769162095,
"density_atomic": 0.0234228934753623,
"volume": 512.3192833806963,
"volume_molar": 25.710490321507347,
"formula_full": "K6 Pu6",
"formula_reduced": "KPu",
"formula_anonymous": "AB",
"energy": -84.71921445,
"energy_per_atom": -7.059934537499999,
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"updated_at": "2021-11-28T01:35:55.298000Z",
"spacegroup": 2
},
{
"id": "mp-1185153",
"created_at": "2022-09-04T14:41:04.142734Z",
"structure_string": "K1 Pt1\n1.0\n3.000767 0.000059 0.000000\n-1.500333 2.598955 0.000000\n0.000001 0.000000 5.345578\nK Pt\n1 1\ndirect\n0.666673 0.333311 0.749999 K\n0.333327 0.666687 0.250001 Pt\n",
"nsites": 2,
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"elements": [
"K",
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],
"chemical_system": "K-Pt",
"density": 9.32765617321921,
"density_atomic": 0.04797327420169759,
"volume": 41.68987906873422,
"volume_molar": 12.55311600096476,
"formula_full": "K1 Pt1",
"formula_reduced": "KPt",
"formula_anonymous": "AB",
"energy": -6.63452381,
"energy_per_atom": -3.317261905,
"energy_above_hull": null,
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"energy_uncorrected": -6.63452381,
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"total_magnetization": 0.0010624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.519000Z",
"spacegroup": 187
},
{
"id": "mp-1062676",
"created_at": "2022-09-04T14:46:04.944952Z",
"structure_string": "K2 Pt1\n1.0\n0.000000 3.830119 3.830119\n3.830119 0.000000 3.830119\n3.830119 3.830119 0.000000\nK Pt\n2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
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"elements": [
"K",
"Pt"
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"chemical_system": "K-Pt",
"density": 4.038230474003732,
"density_atomic": 0.02669650792355116,
"volume": 112.37424792002314,
"volume_molar": 22.557784625783885,
"formula_full": "K2 Pt1",
"formula_reduced": "K2Pt",
"formula_anonymous": "AB2",
"energy": -8.26388625,
"energy_per_atom": -2.75462875,
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"energy_uncorrected": -8.26388625,
"band_gap": 1.3146,
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"is_magnetic": false,
"total_magnetization": 6.97e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.391000Z",
"spacegroup": 225
},
{
"id": "mp-1185053",
"created_at": "2022-09-04T14:46:02.728929Z",
"structure_string": "K2 Pt6\n1.0\n3.263351 -5.652290 0.000000\n3.263351 5.652290 0.000000\n0.000000 0.000000 4.582791\nK Pt\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.861255 0.138745 0.750000 Pt\n0.277490 0.138745 0.750000 Pt\n0.861255 0.722510 0.750000 Pt\n0.138745 0.861255 0.250000 Pt\n0.722510 0.861255 0.250000 Pt\n0.138745 0.277490 0.250000 Pt\n",
"nsites": 8,
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"elements": [
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"Pt"
],
"chemical_system": "K-Pt",
"density": 12.26476260615144,
"density_atomic": 0.04731967091407045,
"volume": 169.06288326745758,
"volume_molar": 12.726506004100978,
"formula_full": "K2 Pt6",
"formula_reduced": "KPt3",
"formula_anonymous": "AB3",
"energy": -35.16639727,
"energy_per_atom": -4.39579965875,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:16.660000Z",
"spacegroup": 194
},
{
"id": "mp-1185111",
"created_at": "2022-09-04T14:43:56.321893Z",
"structure_string": "K3 Pr1\n1.0\n-2.913011 2.913011 6.766311\n2.913011 -2.913011 6.766311\n2.913011 2.913011 -6.766311\nK Pr\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "K-Pr",
"density": 1.8668672136069886,
"density_atomic": 0.017416616752166787,
"volume": 229.66572997033788,
"volume_molar": 34.57698384073814,
"formula_full": "K3 Pr1",
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"energy": -5.98301898,
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"updated_at": "2021-11-28T01:36:32.781000Z",
"spacegroup": 139
},
{
"id": "mp-975872",
"created_at": "2022-09-04T14:45:24.327530Z",
"structure_string": "K6 Pr2\n1.0\n4.341766 -7.520159 0.000000\n4.341766 7.520159 0.000000\n0.000000 0.000000 7.176730\nK Pr\n6 2\ndirect\n0.170814 0.341629 0.250000 K\n0.658371 0.829186 0.250000 K\n0.170814 0.829186 0.250000 K\n0.829186 0.658371 0.750000 K\n0.341629 0.170814 0.750000 K\n0.829186 0.170814 0.750000 K\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
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"density": 1.829740834419546,
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"volume": 468.65153064888017,
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"formula_full": "K6 Pr2",
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"updated_at": "2021-11-28T01:37:05.235000Z",
"spacegroup": 194
},
{
"id": "mp-1185158",
"created_at": "2022-09-04T14:40:22.797411Z",
"structure_string": "K2 Pr6\n1.0\n3.983271 -6.899228 0.000000\n3.983271 6.899228 0.000000\n0.000000 0.000000 5.985595\nK Pr\n2 6\ndirect\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.154620 0.309239 0.250000 Pr\n0.690761 0.845380 0.250000 Pr\n0.154620 0.845380 0.250000 Pr\n0.845380 0.690761 0.750000 Pr\n0.309239 0.154620 0.750000 Pr\n0.845380 0.154620 0.750000 Pr\n",
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"updated_at": "2021-11-28T01:34:48.331000Z",
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{
"id": "mp-974827",
"created_at": "2022-09-04T14:47:59.042406Z",
"structure_string": "K1 Pr3\n1.0\n5.417850 0.000000 0.000000\n0.000000 5.417850 0.000000\n0.000000 0.000000 5.417850\nK Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n",
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"formula_full": "K1 Pr3",
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"updated_at": "2021-11-28T01:38:30.621000Z",
"spacegroup": 221
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{
"id": "mp-1184963",
"created_at": "2022-09-04T14:45:40.309551Z",
"structure_string": "K1 Pm3\n1.0\n5.340834 0.000000 0.000000\n0.000000 5.340834 0.000000\n0.000000 0.000000 5.340834\nK Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Pm\n0.500000 0.000000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n",
"nsites": 4,
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"elements": [
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"density": 5.167616262288621,
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"volume": 152.3446611745872,
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"formula_full": "K1 Pm3",
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"updated_at": "2021-11-28T01:37:15.518000Z",
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}
]
}