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{
"id": "mp-1215271",
"created_at": "2022-09-04T14:44:20.637689Z",
"structure_string": "Zr2 Fe2 Co2\n1.0\n-2.431700 2.521489 3.480279\n2.431700 -2.521489 3.480279\n2.431700 2.521489 -3.480279\nZr Fe Co\n2 2 2\ndirect\n0.128785 0.878785 0.250000 Zr\n0.871215 0.121215 0.750000 Zr\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
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{
"id": "mp-1094199",
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"structure_string": "Mg5 Sn1\n1.0\n5.483066 -2.765403 0.000000\n5.483066 2.765403 0.000000\n4.088325 0.000000 4.582255\nMg Sn\n5 1\ndirect\n0.000000 0.666880 0.333120 Mg\n0.833103 0.833103 0.833103 Mg\n0.666880 0.333120 0.000000 Mg\n0.333120 0.000000 0.666880 Mg\n0.166897 0.166897 0.166897 Mg\n0.500000 0.500000 0.500000 Sn\n",
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"volume": 138.96043105799453,
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"formula_full": "Mg5 Sn1",
"formula_reduced": "Mg5Sn",
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"spacegroup": 155
},
{
"id": "mp-20865",
"created_at": "2022-09-04T14:44:18.961145Z",
"structure_string": "Y2 Cu2 Pb2\n1.0\n2.316927 -4.013036 0.000000\n2.316927 4.013036 0.000000\n0.000000 0.000000 7.396281\nY Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.999241 Y\n0.000000 0.000000 0.499241 Y\n0.666667 0.333333 0.323294 Cu\n0.333333 0.666667 0.823294 Cu\n0.333333 0.666667 0.229265 Pb\n0.666667 0.333333 0.729265 Pb\n",
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"density": 8.684255397100301,
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"volume": 137.53993174806334,
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"formula_full": "Y2 Cu2 Pb2",
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"spacegroup": 186
},
{
"id": "mp-12919",
"created_at": "2022-09-04T14:44:19.491188Z",
"structure_string": "La2 P2 Ir2\n1.0\n-2.085435 2.085435 7.192768\n2.085435 -2.085435 7.192768\n2.085435 2.085435 -7.192768\nLa P Ir\n2 2 2\ndirect\n0.754499 0.254499 0.500000 La\n0.004499 0.004499 0.000000 La\n0.333125 0.833125 0.500000 P\n0.583125 0.583125 0.000000 P\n0.165976 0.665976 0.500000 Ir\n0.415976 0.415976 0.000000 Ir\n",
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"volume": 125.1265182054605,
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"formula_full": "La2 P2 Ir2",
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"spacegroup": 109
},
{
"id": "mp-1221139",
"created_at": "2022-09-04T14:44:26.285624Z",
"structure_string": "Na4 Te1 Se1\n1.0\n5.007416 0.000000 0.000000\n0.000000 5.007416 0.000000\n0.000000 0.000000 7.113163\nNa Te Se\n4 1 1\ndirect\n0.500000 0.000000 0.761359 Na\n0.000000 0.500000 0.238641 Na\n0.500000 0.000000 0.238641 Na\n0.000000 0.500000 0.761359 Na\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Se\n",
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"density": 2.7792721889005065,
"density_atomic": 0.03364039946626545,
"volume": 178.35697837110385,
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"formula_full": "Na4 Te1 Se1",
"formula_reduced": "Na4TeSe",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:36:39.671000Z",
"spacegroup": 123
},
{
"id": "mp-1225653",
"created_at": "2022-09-04T14:44:20.314350Z",
"structure_string": "Dy2 In3 Cu1\n1.0\n0.000000 0.000000 -3.383405\n-2.669031 -4.620042 0.000000\n-8.107319 4.677862 0.000000\nDy In Cu\n2 3 1\ndirect\n0.500000 0.000032 0.015972 Dy\n0.500000 0.499838 0.489186 Dy\n0.500000 0.499871 0.830077 In\n0.500000 0.499864 0.173652 In\n0.500000 0.999939 0.658659 In\n0.500000 0.000256 0.332454 Cu\n",
"nsites": 6,
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"density": 7.203397655153178,
"density_atomic": 0.03550876505695296,
"volume": 168.9723647211195,
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"formula_full": "Dy2 In3 Cu1",
"formula_reduced": "Dy2In3Cu",
"formula_anonymous": "AB2C3",
"energy": -20.35198357,
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"updated_at": "2021-11-28T01:36:31.792000Z",
"spacegroup": 25
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{
"id": "mp-1329",
"created_at": "2022-09-04T14:44:19.267412Z",
"structure_string": "La2 Te4\n1.0\n4.559657 0.000000 0.000000\n0.000000 4.559657 0.000000\n0.000000 0.000000 9.291893\nLa Te\n2 4\ndirect\n0.000000 0.500000 0.725606 La\n0.500000 0.000000 0.274394 La\n0.000000 0.500000 0.366476 Te\n0.500000 0.000000 0.633524 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
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"volume": 193.182840849975,
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"formula_full": "La2 Te4",
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"energy": -32.52358801,
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"spacegroup": 129
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{
"id": "mp-471",
"created_at": "2022-09-04T14:44:22.227976Z",
"structure_string": "Cd2 As4\n1.0\n-4.078293 4.078293 2.383873\n4.078293 -4.078293 2.383873\n4.078293 4.078293 -2.383873\nCd As\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.563058 0.375000 0.688058 As\n0.625000 0.436942 0.311942 As\n0.686942 0.875000 0.311942 As\n0.125000 0.313058 0.688058 As\n",
"nsites": 6,
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"volume": 158.5988208014568,
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"formula_full": "Cd2 As4",
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"updated_at": "2021-11-28T01:36:28.652000Z",
"spacegroup": 98
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{
"id": "mp-2840",
"created_at": "2022-09-04T14:44:19.799183Z",
"structure_string": "Pu2 Ir4\n1.0\n0.000000 3.734003 3.734003\n3.734003 0.000000 3.734003\n3.734003 3.734003 0.000000\nPu Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.625000 0.625000 Ir\n",
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"formula_full": "Pu2 Ir4",
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{
"id": "mp-1897",
"created_at": "2022-09-04T14:44:20.078691Z",
"structure_string": "Pu2 Rh4\n1.0\n0.000000 3.703808 3.703808\n3.703808 0.000000 3.703808\n3.703808 3.703808 0.000000\nPu Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Pu\n0.750000 0.750000 0.750000 Pu\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
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{
"id": "mp-1217710",
"created_at": "2022-09-04T14:44:19.746137Z",
"structure_string": "Tb2 Fe1 Co3\n1.0\n4.251226 -2.562406 0.000000\n4.251226 2.562406 0.000000\n2.706748 0.000000 4.160812\nTb Fe Co\n2 1 3\ndirect\n0.626896 0.626896 0.626896 Tb\n0.373104 0.373104 0.373104 Tb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 6,
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"volume": 90.65050434919377,
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"formula_full": "Tb2 Fe1 Co3",
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"formula_anonymous": "AB2C3",
"energy": -40.04482657,
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"updated_at": "2021-11-28T01:36:33.761000Z",
"spacegroup": 166
}
]
}