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{
"id": "mp-861867",
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{
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"formula_full": "Er10 Sn6",
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{
"id": "mp-1022140",
"created_at": "2022-09-04T14:42:09.083934Z",
"structure_string": "Rb1 Mg6 Cu1\n1.0\n3.141691 -7.720079 0.000000\n3.141691 7.720079 0.000000\n0.000000 0.000000 4.594019\nRb Mg Cu\n1 6 1\ndirect\n0.282916 0.717084 0.500000 Rb\n0.208514 0.301617 0.000000 Mg\n0.698383 0.791486 0.000000 Mg\n0.683680 0.316320 0.000000 Mg\n0.323128 0.167397 0.500000 Mg\n0.832603 0.676872 0.500000 Mg\n0.873257 0.126743 0.500000 Mg\n0.097517 0.902483 0.000000 Cu\n",
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"formula_full": "Rb1 Mg6 Cu1",
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{
"id": "mp-756891",
"created_at": "2022-09-04T14:42:09.517228Z",
"structure_string": "Li4 Nb3 Cr5 O16\n1.0\n2.987446 5.227181 0.000000\n-2.987446 5.227181 0.000000\n0.000000 0.060728 9.762743\nLi Nb Cr O\n4 3 5 16\ndirect\n0.667403 0.667403 0.897011 Li\n0.011118 0.011118 0.995431 Li\n0.005376 0.005376 0.494906 Li\n0.334008 0.334008 0.386455 Li\n0.831759 0.831759 0.211542 Nb\n0.644511 0.187312 0.711294 Nb\n0.187312 0.644511 0.711294 Nb\n0.831744 0.339839 0.214514 Cr\n0.666183 0.666183 0.480717 Cr\n0.339839 0.831744 0.214514 Cr\n0.166869 0.166869 0.713969 Cr\n0.328717 0.328717 0.989634 Cr\n0.829496 0.329251 0.601338 O\n0.521129 0.521129 0.338422 O\n0.669889 0.669889 0.103202 O\n0.000166 0.000166 0.312102 O\n0.003602 0.003602 0.812974 O\n0.329251 0.829496 0.601338 O\n0.960331 0.521849 0.340125 O\n0.521849 0.960331 0.340125 O\n0.162861 0.162861 0.101716 O\n0.832999 0.832999 0.599318 O\n0.480134 0.041894 0.840699 O\n0.041894 0.480134 0.840699 O\n0.320094 0.320094 0.588490 O\n0.669251 0.159231 0.103526 O\n0.483349 0.483349 0.858975 O\n0.159231 0.669251 0.103526 O\n",
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"formula_full": "Li4 Nb3 Cr5 O16",
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{
"id": "mp-757584",
"created_at": "2022-09-04T14:42:09.526004Z",
"structure_string": "Li8 V2 P4 O18\n1.0\n3.395855 -7.325493 0.000000\n3.395855 7.325493 0.000000\n0.000000 0.000000 7.235069\nLi V P O\n8 2 4 18\ndirect\n0.385312 0.614688 0.227618 Li\n0.885312 0.114688 0.772382 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.614688 0.385312 0.772382 Li\n0.114688 0.885312 0.227618 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.388166 0.611834 0.771487 P\n0.888166 0.111834 0.228513 P\n0.611834 0.388166 0.228513 P\n0.111834 0.888166 0.771487 P\n0.988963 0.011037 0.282829 O\n0.488963 0.511037 0.717171 O\n0.856543 0.143457 0.025726 O\n0.356543 0.643457 0.974274 O\n0.040193 0.345297 0.317579 O\n0.154703 0.459807 0.682421 O\n0.654703 0.959807 0.317579 O\n0.540193 0.845297 0.682421 O\n0.750000 0.250000 0.598326 O\n0.250000 0.750000 0.401674 O\n0.845297 0.540193 0.317579 O\n0.959807 0.654703 0.682421 O\n0.345297 0.040193 0.682421 O\n0.459807 0.154703 0.317579 O\n0.143457 0.856543 0.974274 O\n0.643457 0.356543 0.025726 O\n0.511037 0.488963 0.282829 O\n0.011037 0.988963 0.717171 O\n",
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"formula_full": "Li8 V2 P4 O18",
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{
"id": "mp-1213017",
"created_at": "2022-09-04T14:42:10.373665Z",
"structure_string": "Gd12 Sc8 Al12 O48\n1.0\n-6.262996 6.262996 6.262996\n6.262996 -6.262996 6.262996\n6.262996 6.262996 -6.262996\nGd Sc Al O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Gd\n0.750000 0.625000 0.875000 Gd\n0.750000 0.125000 0.375000 Gd\n0.125000 0.250000 0.375000 Gd\n0.375000 0.750000 0.125000 Gd\n0.250000 0.875000 0.625000 Gd\n0.875000 0.750000 0.625000 Gd\n0.625000 0.250000 0.875000 Gd\n0.375000 0.125000 0.250000 Gd\n0.625000 0.875000 0.750000 Gd\n0.125000 0.375000 0.750000 Gd\n0.875000 0.625000 0.250000 Gd\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.250000 0.625000 0.375000 Al\n0.750000 0.375000 0.625000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.750000 0.375000 Al\n0.250000 0.125000 0.875000 Al\n0.125000 0.750000 0.875000 Al\n0.875000 0.250000 0.125000 Al\n0.625000 0.375000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.875000 0.125000 0.750000 Al\n0.125000 0.875000 0.250000 Al\n0.476694 0.375823 0.288186 O\n0.523306 0.624177 0.711814 O\n0.587637 0.188509 0.211814 O\n0.912363 0.124177 0.600871 O\n0.288186 0.476694 0.375823 O\n0.311491 0.912363 0.288186 O\n0.412363 0.811491 0.788186 O\n0.087637 0.875823 0.399129 O\n0.711814 0.523306 0.624177 O\n0.688509 0.087637 0.711814 O\n0.023306 0.311491 0.899129 O\n0.211814 0.587637 0.188509 O\n0.124177 0.023306 0.211814 O\n0.976694 0.688509 0.100871 O\n0.788186 0.412363 0.811491 O\n0.875823 0.976694 0.788186 O\n0.600871 0.912363 0.124177 O\n0.188509 0.476694 0.600871 O\n0.399129 0.087637 0.875823 O\n0.811491 0.523306 0.399129 O\n0.899129 0.023306 0.311491 O\n0.375823 0.587637 0.899129 O\n0.100871 0.976694 0.688509 O\n0.624177 0.412363 0.100871 O\n0.375823 0.288186 0.476694 O\n0.587637 0.899129 0.375823 O\n0.624177 0.711814 0.523306 O\n0.412363 0.100871 0.624177 O\n0.124177 0.600871 0.912363 O\n0.023306 0.211814 0.124177 O\n0.875823 0.399129 0.087637 O\n0.976694 0.788186 0.875823 O\n0.311491 0.899129 0.023306 O\n0.912363 0.288186 0.311491 O\n0.688509 0.100871 0.976694 O\n0.087637 0.711814 0.688509 O\n0.188509 0.211814 0.587637 O\n0.476694 0.600871 0.188509 O\n0.811491 0.788186 0.412363 O\n0.523306 0.399129 0.811491 O\n0.288186 0.311491 0.912363 O\n0.711814 0.688509 0.087637 O\n0.211814 0.124177 0.023306 O\n0.788186 0.875823 0.976694 O\n0.899129 0.375823 0.587637 O\n0.100871 0.624177 0.412363 O\n0.600871 0.188509 0.476694 O\n0.399129 0.811491 0.523306 O\n",
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{
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"structure_string": "Ti8 Ni8\n1.0\n-3.079023 3.079023 5.767390\n3.079023 -3.079023 5.767390\n3.079023 3.079023 -5.767390\nTi Ni\n8 8\ndirect\n0.728160 0.728160 0.000000 Ti\n0.271840 0.271840 0.000000 Ti\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.094684 0.094684 0.449156 Ni\n0.645528 0.645528 0.550844 Ni\n0.094684 0.645528 0.000000 Ni\n0.645528 0.094684 0.000000 Ni\n0.905316 0.905316 0.550844 Ni\n0.354472 0.354472 0.449156 Ni\n0.905316 0.354472 0.000000 Ni\n0.354472 0.905316 0.000000 Ni\n",
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{
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -51.78455352,
"band_gap": 1.4999999999999998,
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"is_magnetic": false,
"total_magnetization": 9.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.196000Z",
"spacegroup": 2
}
]
}