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{
"id": "mp-1225457",
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"structure_string": "Eu2 Ga1 Ag3\n1.0\n2.414743 5.474425 0.000000\n-2.414743 5.474425 0.000000\n0.000000 5.126534 5.565410\nEu Ga Ag\n2 1 3\ndirect\n0.047146 0.047146 0.200205 Eu\n0.950354 0.950354 0.799028 Eu\n0.669817 0.669817 0.393433 Ga\n0.347207 0.347207 0.604378 Ag\n0.326183 0.326183 0.228852 Ag\n0.659292 0.659292 0.774104 Ag\n",
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{
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{
"id": "mp-31379",
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"structure_string": "Zr4 Sb2\n1.0\n-2.070769 2.070769 7.988514\n2.070769 -2.070769 7.988514\n2.070769 2.070769 -7.988514\nZr Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.677503 0.677503 0.000000 Zr\n0.322497 0.322497 0.000000 Zr\n0.861606 0.861606 0.000000 Sb\n0.138394 0.138394 0.000000 Sb\n",
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"volume": 137.02168430070745,
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"formula_full": "Zr4 Sb2",
"formula_reduced": "Zr2Sb",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:37:11.273000Z",
"spacegroup": 139
},
{
"id": "mp-1094035",
"created_at": "2022-09-04T14:45:58.075179Z",
"structure_string": "U2 Ga2 Cu2\n1.0\n2.320887 -4.019895 0.000000\n2.320887 4.019895 0.000000\n0.000000 0.000000 5.673221\nU Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.004361 U\n0.000000 0.000000 0.504361 U\n0.666667 0.333333 0.259663 Ga\n0.333333 0.666667 0.759663 Ga\n0.666667 0.333333 0.744976 Cu\n0.333333 0.666667 0.244976 Cu\n",
"nsites": 6,
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"density": 11.64858558624155,
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"formula_full": "U2 Ga2 Cu2",
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},
{
"id": "mp-1094204",
"created_at": "2022-09-04T14:45:56.373543Z",
"structure_string": "Mg3 Sb3\n1.0\n1.643050 6.208711 0.000000\n-1.643050 6.208711 0.000000\n0.000000 1.837499 7.372535\nMg Sb\n3 3\ndirect\n0.999452 0.999452 0.006565 Mg\n0.946972 0.946972 0.613907 Mg\n0.667084 0.667084 0.666071 Mg\n0.591824 0.591824 0.299075 Sb\n0.333084 0.333084 0.345681 Sb\n0.294917 0.294917 0.902034 Sb\n",
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"formula_full": "Mg3 Sb3",
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"energy": -17.933264050000002,
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{
"id": "mp-1025053",
"created_at": "2022-09-04T14:46:00.613039Z",
"structure_string": "Th2 Si2 Te2\n1.0\n-2.072840 2.072840 9.304357\n2.072840 -2.072840 9.304357\n2.072840 2.072840 -9.304357\nTh Si Te\n2 2 2\ndirect\n0.879683 0.879683 0.000000 Th\n0.120317 0.120317 0.000000 Th\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.689447 0.689447 0.000000 Te\n0.310553 0.310553 0.000000 Te\n",
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"Te"
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"density_atomic": 0.03752090734147026,
"volume": 159.91084504954003,
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"formula_full": "Th2 Si2 Te2",
"formula_reduced": "ThSiTe",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:37:21.032000Z",
"spacegroup": 139
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{
"id": "mp-1018661",
"created_at": "2022-09-04T14:45:52.871525Z",
"structure_string": "Ce2 Pb2 Au2\n1.0\n2.473014 -4.283385 0.000000\n2.473014 4.283385 0.000000\n0.000000 0.000000 7.475913\nCe Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
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"volume": 158.3827651148087,
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"formula_full": "Ce2 Pb2 Au2",
"formula_reduced": "CePbAu",
"formula_anonymous": "ABC",
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"spacegroup": 194
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{
"id": "mp-445",
"created_at": "2022-09-04T14:45:56.436400Z",
"structure_string": "Nd2 Co4\n1.0\n0.000000 3.637512 3.637512\n3.637512 0.000000 3.637512\n3.637512 3.637512 0.000000\nNd Co\n2 4\ndirect\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Nd\n0.625000 0.625000 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n",
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"density": 9.043087147139495,
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"volume": 96.2594331331428,
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"formula_full": "Nd2 Co4",
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"updated_at": "2021-11-28T01:37:08.004000Z",
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{
"id": "mp-1235108",
"created_at": "2022-09-04T14:45:56.450496Z",
"structure_string": "Li1 Ho2 O3\n1.0\n3.992521 -0.227448 -0.478485\n-2.193236 3.343901 0.478485\n-1.022072 0.590094 6.555326\nLi Ho O\n1 2 3\ndirect\n0.438004 0.561996 0.995065 Li\n0.657647 0.342353 0.718494 Ho\n0.227889 0.772111 0.291399 Ho\n0.555477 0.444523 0.351137 O\n0.334251 0.665749 0.654146 O\n0.126019 0.873981 0.937676 O\n",
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"formula_full": "Li1 Ho2 O3",
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"spacegroup": 8
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{
"id": "mp-1225619",
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"structure_string": "Dy2 Fe2 Cu2\n1.0\n-2.531731 2.553198 3.780539\n2.531731 -2.553198 3.780539\n2.531731 2.553198 -3.780539\nDy Fe Cu\n2 2 2\ndirect\n0.371013 0.121013 0.250000 Dy\n0.628987 0.878987 0.750000 Dy\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
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{
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{
"id": "mp-1226680",
"created_at": "2022-09-04T14:46:01.019267Z",
"structure_string": "Ce2 Fe2 Cu2\n1.0\n-3.785014 -0.111470 -3.581262\n3.785014 -3.581262 -0.111470\n-3.785014 -3.581262 -0.111470\nCe Fe Cu\n2 2 2\ndirect\n0.500000 0.758420 0.741580 Ce\n0.000000 0.991580 0.008420 Ce\n0.250000 0.875000 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n0.750000 0.375000 0.875000 Cu\n0.250000 0.375000 0.375000 Cu\n",
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"volume": 96.99485923903671,
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"formula_full": "Ce2 Fe2 Cu2",
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]
}