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{
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{
"id": "mp-1077708",
"created_at": "2022-09-04T14:44:19.064651Z",
"structure_string": "Cr4 Fe2\n1.0\n0.000000 3.292738 3.292738\n3.292738 0.000000 3.292738\n3.292738 3.292738 0.000000\nCr Fe\n4 2\ndirect\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n",
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{
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{
"id": "mp-20024",
"created_at": "2022-09-04T14:44:14.957660Z",
"structure_string": "La2 Cu2 Sn2\n1.0\n2.305446 -3.993150 0.000000\n2.305446 3.993150 0.000000\n0.000000 0.000000 8.228179\nLa Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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"density": 7.040414436370385,
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"volume": 151.49709507630118,
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"formula_full": "La2 Cu2 Sn2",
"formula_reduced": "LaCuSn",
"formula_anonymous": "ABC",
"energy": -29.66267791,
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"updated_at": "2021-11-28T01:36:33.030000Z",
"spacegroup": 194
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{
"id": "mp-1216947",
"created_at": "2022-09-04T14:44:19.891283Z",
"structure_string": "U2 Ga3 Cu1\n1.0\n0.000000 0.000000 -2.929996\n-2.334531 -4.043279 0.000000\n-7.050937 4.070601 0.000000\nU Ga Cu\n2 3 1\ndirect\n0.000000 0.999944 0.002887 U\n0.000000 0.500027 0.500261 U\n0.500000 0.499961 0.832552 Ga\n0.500000 0.499955 0.175217 Ga\n0.500000 0.999952 0.657227 Ga\n0.500000 0.999960 0.331856 Cu\n",
"nsites": 6,
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"elements": [
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"Ga",
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"chemical_system": "Cu-Ga-U",
"density": 11.163828025286904,
"density_atomic": 0.053872263001168125,
"volume": 111.37456764847433,
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"formula_full": "U2 Ga3 Cu1",
"formula_reduced": "U2Ga3Cu",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:36:36.040000Z",
"spacegroup": 25
},
{
"id": "mp-1094425",
"created_at": "2022-09-04T14:44:14.721420Z",
"structure_string": "Mg5 Zn1\n1.0\n5.614180 -2.629018 0.000000\n5.614180 2.629018 0.000000\n4.383058 0.000000 4.384010\nMg Zn\n5 1\ndirect\n0.338430 0.000000 0.661570 Mg\n0.832793 0.832793 0.832793 Mg\n0.000000 0.661570 0.338430 Mg\n0.661570 0.338430 0.000000 Mg\n0.167207 0.167207 0.167207 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"density": 2.398589744440542,
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"volume": 129.4140486489098,
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"formula_full": "Mg5 Zn1",
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"energy": -9.25085349,
"energy_per_atom": -1.541808915,
"energy_above_hull": null,
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"spacegroup": 155
},
{
"id": "mp-1019103",
"created_at": "2022-09-04T14:44:18.951851Z",
"structure_string": "Sm2 Sb2 Pd2\n1.0\n2.298542 -3.981192 0.000000\n2.298542 3.981192 0.000000\n0.000000 0.000000 7.848779\nSm Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pd"
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"density": 8.751715839221216,
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"volume": 143.64736465819692,
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"formula_full": "Sm2 Sb2 Pd2",
"formula_reduced": "SmSbPd",
"formula_anonymous": "ABC",
"energy": -34.37582003,
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"updated_at": "2021-11-28T01:36:33.209000Z",
"spacegroup": 194
},
{
"id": "mp-1072097",
"created_at": "2022-09-04T14:44:14.805741Z",
"structure_string": "Gd1 In1 Pt4\n1.0\n0.000000 3.840257 3.840257\n3.840257 0.000000 3.840257\n3.840257 3.840257 0.000000\nGd In Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 In\n0.624542 0.624542 0.126374 Pt\n0.624542 0.126374 0.624542 Pt\n0.126374 0.624542 0.624542 Pt\n0.624542 0.624542 0.624542 Pt\n",
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"Pt"
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"density": 15.428394087476882,
"density_atomic": 0.05297127011735755,
"volume": 113.26894723700289,
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"formula_full": "Gd1 In1 Pt4",
"formula_reduced": "GdInPt4",
"formula_anonymous": "ABC4",
"energy": -45.91591631,
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"updated_at": "2021-11-28T01:36:26.531000Z",
"spacegroup": 216
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{
"id": "mp-1217889",
"created_at": "2022-09-04T14:44:29.439715Z",
"structure_string": "Ta1 Ti1 Be4\n1.0\n0.000000 3.229963 3.229963\n3.229963 0.000000 3.229963\n3.229963 3.229963 0.000000\nTa Ti Be\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ti\n0.624856 0.624856 0.125433 Be\n0.624856 0.125433 0.624856 Be\n0.125433 0.624856 0.624856 Be\n0.624856 0.624856 0.624856 Be\n",
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"Ti",
"Be"
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"density": 6.526025257966297,
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"volume": 67.39421792273113,
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"formula_full": "Ta1 Ti1 Be4",
"formula_reduced": "TaTiBe4",
"formula_anonymous": "ABC4",
"energy": -35.67696677,
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{
"id": "mp-1094445",
"created_at": "2022-09-04T14:44:16.192489Z",
"structure_string": "Mg3 Zn3\n1.0\n2.444272 4.719807 0.000000\n-2.444272 4.719807 0.000000\n0.000000 3.066391 4.802362\nMg Zn\n3 3\ndirect\n0.005582 0.300803 0.015785 Mg\n0.699197 0.994418 0.984215 Mg\n0.463799 0.536201 0.500000 Mg\n0.343802 0.656198 0.000000 Zn\n0.806287 0.818667 0.506142 Zn\n0.181333 0.193713 0.493858 Zn\n",
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"density": 4.033405725104459,
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"volume": 110.80482250549755,
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"formula_full": "Mg3 Zn3",
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"energy": -8.80075442,
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"updated_at": "2021-11-28T01:36:29.378000Z",
"spacegroup": 5
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{
"id": "mp-1216730",
"created_at": "2022-09-04T14:44:18.194030Z",
"structure_string": "Ti2 N2 F2\n1.0\n-1.951819 1.951819 5.003718\n1.951819 -1.951819 5.003718\n1.951819 1.951819 -5.003718\nTi N F\n2 2 2\ndirect\n0.597647 0.097647 0.500000 Ti\n0.847647 0.847647 0.000000 Ti\n0.667022 0.667022 0.000000 N\n0.417022 0.917022 0.500000 N\n0.860331 0.360331 0.500000 F\n0.110331 0.110331 0.000000 F\n",
"nsites": 6,
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"volume": 76.2486045078831,
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"formula_full": "Ti2 N2 F2",
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"updated_at": "2021-11-28T01:36:31.178000Z",
"spacegroup": 109
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{
"id": "mp-569117",
"created_at": "2022-09-04T14:44:14.639226Z",
"structure_string": "Cs1 Li2 Cl3\n1.0\n-2.279091 2.652758 6.285958\n2.279091 -2.652758 6.285958\n2.279091 2.652758 -6.285958\nCs Li Cl\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Cs\n0.808962 0.808962 0.000000 Li\n0.191038 0.191038 0.000000 Li\n0.268451 0.768451 0.500000 Cl\n0.731549 0.231549 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 6,
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"volume": 152.0165126382825,
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"formula_full": "Cs1 Li2 Cl3",
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"updated_at": "2021-11-28T01:36:34.008000Z",
"spacegroup": 71
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{
"id": "mp-30849",
"created_at": "2022-09-04T14:44:18.125390Z",
"structure_string": "Ta2 Pt4\n1.0\n2.426657 -4.247978 0.000000\n2.426657 4.247978 0.000000\n0.000000 0.000000 4.790695\nTa Pt\n2 4\ndirect\n0.771617 0.771617 0.250000 Ta\n0.228383 0.228383 0.750000 Ta\n0.121723 0.445669 0.250000 Pt\n0.554331 0.878277 0.750000 Pt\n0.878277 0.554331 0.750000 Pt\n0.445669 0.121723 0.250000 Pt\n",
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"volume": 98.76866222056455,
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"formula_full": "Ta2 Pt4",
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"energy": -52.4810049,
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"updated_at": "2021-11-28T01:36:35.228000Z",
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]
}