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{
"id": "mp-803",
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"structure_string": "Dy2 Al4\n1.0\n0.000000 3.933013 3.933013\n3.933013 0.000000 3.933013\n3.933013 3.933013 0.000000\nDy Al\n2 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Dy\n0.625000 0.625000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n",
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{
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},
{
"id": "mp-1094231",
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"structure_string": "Mg1 Sn5\n1.0\n1.644896 -8.900980 0.000000\n1.644896 8.900980 0.000000\n0.000000 0.000000 5.513511\nMg Sn\n1 5\ndirect\n0.777455 0.222545 0.500000 Mg\n0.999548 0.000452 0.000000 Sn\n0.330720 0.669280 0.000000 Sn\n0.668664 0.331336 0.000000 Sn\n0.115345 0.884655 0.500000 Sn\n0.441600 0.558400 0.500000 Sn\n",
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"volume": 161.44868451772894,
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"formula_full": "Mg1 Sn5",
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"updated_at": "2021-11-28T01:36:27.360000Z",
"spacegroup": 38
},
{
"id": "mp-1014261",
"created_at": "2022-09-04T14:44:11.883743Z",
"structure_string": "Ir2 O4\n1.0\n-1.962624 1.962624 4.890292\n1.962624 -1.962624 4.890292\n1.962624 1.962624 -4.890292\nIr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n0.959604 0.459604 0.500000 O\n0.209604 0.209604 0.000000 O\n0.540396 0.040396 0.500000 O\n0.790396 0.790396 0.000000 O\n",
"nsites": 6,
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"chemical_system": "Ir-O",
"density": 9.882715940690662,
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"volume": 75.34752541373811,
"volume_molar": 7.56255673265347,
"formula_full": "Ir2 O4",
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"energy": -43.4546869,
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"spacegroup": 141
},
{
"id": "mp-1041997",
"created_at": "2022-09-04T14:44:14.399839Z",
"structure_string": "Mo2 O4\n1.0\n1.558325 -2.869078 0.000000\n1.558325 2.869078 0.000000\n0.000000 0.000000 10.701532\nMo O\n2 4\ndirect\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.834895 0.165105 0.409826 O\n0.834895 0.165105 0.090174 O\n0.165105 0.834895 0.590174 O\n0.165105 0.834895 0.909826 O\n",
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"volume": 95.69215686019541,
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"formula_full": "Mo2 O4",
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"spacegroup": 63
},
{
"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,
"density_atomic": 0.08902840903768813,
"volume": 67.39421792273113,
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"formula_full": "Ta1 Ti1 Be4",
"formula_reduced": "TaTiBe4",
"formula_anonymous": "ABC4",
"energy": -35.67696677,
"energy_per_atom": -5.946161128333333,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:45.309000Z",
"spacegroup": 216
},
{
"id": "mp-1227661",
"created_at": "2022-09-04T14:44:03.783569Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n2.275344 5.319792 0.000000\n-2.275344 5.319792 0.000000\n0.000000 5.065127 5.364927\nCa Zn Ga\n2 3 1\ndirect\n0.455745 0.455745 0.794663 Ca\n0.543541 0.543541 0.205085 Ca\n0.164404 0.164404 0.387433 Zn\n0.165453 0.165453 0.782107 Zn\n0.835255 0.835255 0.221756 Zn\n0.835601 0.835601 0.608956 Ga\n",
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"Ga"
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"density": 4.42509598894236,
"density_atomic": 0.04619720709458627,
"volume": 129.877981318553,
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"formula_full": "Ca2 Zn3 Ga1",
"formula_reduced": "Ca2Zn3Ga",
"formula_anonymous": "AB2C3",
"energy": -13.043557410000002,
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"updated_at": "2021-11-28T01:36:23.487000Z",
"spacegroup": 8
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{
"id": "mp-1094458",
"created_at": "2022-09-04T14:44:11.870255Z",
"structure_string": "Mg4 Zn2\n1.0\n1.531882 5.800778 0.000000\n-1.531882 5.800778 0.000000\n0.000000 1.915781 6.733536\nMg Zn\n4 2\ndirect\n0.301365 0.301365 0.155468 Mg\n0.025264 0.025264 0.218592 Mg\n0.974736 0.974736 0.781408 Mg\n0.698635 0.698635 0.844532 Mg\n0.641550 0.641550 0.474361 Zn\n0.358450 0.358450 0.525639 Zn\n",
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"volume": 119.66984821204063,
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"formula_full": "Mg4 Zn2",
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{
"id": "mp-1215618",
"created_at": "2022-09-04T14:44:16.262982Z",
"structure_string": "Yb2 Fe2 Cu2\n1.0\n-2.444774 2.628903 3.730242\n2.444774 -2.628903 3.730242\n2.444774 2.628903 -3.730242\nYb Fe Cu\n2 2 2\ndirect\n0.130274 0.880274 0.250000 Yb\n0.869726 0.119726 0.750000 Yb\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n",
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"volume": 95.89816105494067,
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"updated_at": "2021-11-28T01:36:37.087000Z",
"spacegroup": 74
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{
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"structure_string": "Np2 Ni4\n1.0\n0.000000 3.460068 3.460068\n3.460068 0.000000 3.460068\n3.460068 3.460068 0.000000\nNp Ni\n2 4\ndirect\n0.250000 0.250000 0.250000 Np\n0.000000 0.000000 0.000000 Np\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n",
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"volume": 82.84835650879488,
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"formula_full": "Np2 Ni4",
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{
"id": "mp-1024987",
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"structure_string": "Ho1 Cu4 Ag1\n1.0\n0.000000 3.569134 3.569134\n3.569134 0.000000 3.569134\n3.569134 3.569134 0.000000\nHo Cu Ag\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.625911 0.625911 0.625911 Cu\n0.625911 0.625911 0.122268 Cu\n0.625911 0.122268 0.625911 Cu\n0.122268 0.625911 0.625911 Cu\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 6,
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"formula_full": "Ho1 Cu4 Ag1",
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"updated_at": "2021-11-28T01:36:27.413000Z",
"spacegroup": 216
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{
"id": "mp-1207038",
"created_at": "2022-09-04T14:44:10.903947Z",
"structure_string": "U2 Sn4\n1.0\n2.220793 -7.406735 0.000000\n2.220793 7.406735 0.000000\n0.000000 0.000000 4.654328\nU Sn\n2 4\ndirect\n0.846314 0.153686 0.500000 U\n0.153686 0.846314 0.500000 U\n0.677471 0.322529 0.000000 Sn\n0.322529 0.677471 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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"volume": 153.11645577123633,
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"formula_full": "U2 Sn4",
"formula_reduced": "USn2",
"formula_anonymous": "AB2",
"energy": -39.22616384,
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"updated_at": "2021-11-28T01:36:29.205000Z",
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]
}