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{
"id": "mp-1245884",
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"structure_string": "Zr2 Fe8 N8\n1.0\n5.391229 0.353928 0.013338\n2.352205 4.940078 0.182387\n1.604312 2.424397 7.233655\nZr Fe N\n2 8 8\ndirect\n0.749560 0.828615 0.814050 Zr\n0.250440 0.171385 0.185950 Zr\n0.679332 0.578179 0.235057 Fe\n0.320668 0.421821 0.764943 Fe\n0.772076 0.226936 0.001960 Fe\n0.227924 0.773064 0.998040 Fe\n0.767690 0.506235 0.587359 Fe\n0.232310 0.493765 0.412641 Fe\n0.276345 0.959668 0.600562 Fe\n0.723655 0.040332 0.399438 Fe\n0.005575 0.694520 0.582306 N\n0.994425 0.305480 0.417694 N\n0.849598 0.817383 0.068394 N\n0.150402 0.182617 0.931606 N\n0.516275 0.593266 0.807331 N\n0.483725 0.406734 0.192669 N\n0.533831 0.813364 0.396025 N\n0.466169 0.186636 0.603975 N\n",
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{
"id": "mp-1105063",
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"structure_string": "Zr2 Fe8 P4\n1.0\n6.886986 0.000000 0.000000\n0.000000 6.886986 0.000000\n0.000000 0.000000 3.635021\nZr Fe P\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.586543 0.158149 0.500000 Fe\n0.413457 0.841851 0.500000 Fe\n0.086543 0.341851 0.000000 Fe\n0.913457 0.658149 0.000000 Fe\n0.158149 0.586543 0.500000 Fe\n0.841851 0.413457 0.500000 Fe\n0.341851 0.086543 0.000000 Fe\n0.658149 0.913457 0.000000 Fe\n0.717008 0.717008 0.500000 P\n0.282992 0.282992 0.500000 P\n0.217008 0.782992 0.000000 P\n0.782992 0.217008 0.000000 P\n",
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"formula_full": "Zr2 Fe8 P4",
"formula_reduced": "Zr(Fe2P)2",
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"updated_at": "2021-11-28T01:36:34.857000Z",
"spacegroup": 136
},
{
"id": "mp-19792",
"created_at": "2022-09-04T14:41:50.823011Z",
"structure_string": "Zr2 Fe8 Si4\n1.0\n6.917794 0.000000 0.000000\n0.000000 6.917794 0.000000\n0.000000 0.000000 3.727271\nZr Fe Si\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.588272 0.147685 0.500000 Fe\n0.411728 0.852315 0.500000 Fe\n0.147685 0.588272 0.500000 Fe\n0.852315 0.411728 0.500000 Fe\n0.088272 0.352315 0.000000 Fe\n0.911728 0.647685 0.000000 Fe\n0.647685 0.911728 0.000000 Fe\n0.352315 0.088272 0.000000 Fe\n0.217268 0.782732 0.000000 Si\n0.282732 0.282732 0.500000 Si\n0.717268 0.717268 0.500000 Si\n0.782732 0.217268 0.000000 Si\n",
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"chemical_system": "Fe-Si-Zr",
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"volume": 178.37181069293393,
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"formula_full": "Zr2 Fe8 Si4",
"formula_reduced": "Zr(Fe2Si)2",
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"spacegroup": 136
},
{
"id": "mp-1095777",
"created_at": "2022-09-04T14:47:08.251000Z",
"structure_string": "Zr2 Ga1 Cu1\n1.0\n-5.360352 5.501070 7.760255\n5.360352 -5.501070 7.760255\n5.360352 5.501070 -7.760255\nZr Ga Cu\n2 1 1\ndirect\n0.000000 0.242983 0.242983 Zr\n0.000000 0.757017 0.757017 Zr\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"volume": 915.3274031639137,
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"formula_full": "Zr2 Ga1 Cu1",
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"updated_at": "2021-11-28T01:37:52.658000Z",
"spacegroup": 71
},
{
"id": "mp-1096282",
"created_at": "2022-09-04T14:39:47.389528Z",
"structure_string": "Zr2 Ga1 Tc1\n1.0\n-5.018536 5.640369 7.964664\n5.018536 -5.640369 7.964664\n5.018536 5.640369 -7.964664\nZr Ga Tc\n2 1 1\ndirect\n0.000000 0.277420 0.277420 Zr\n0.000000 0.722580 0.722580 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Tc\n",
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"energy": -18.49021146,
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"updated_at": "2021-11-28T01:34:44.949000Z",
"spacegroup": 71
},
{
"id": "mp-12951",
"created_at": "2022-09-04T14:47:20.214312Z",
"structure_string": "Zr2 Ga2 Au2\n1.0\n2.199587 -3.809797 0.000000\n2.199587 3.809797 0.000000\n0.000000 0.000000 6.779665\nZr Ga Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.215135 Ga\n0.666667 0.333333 0.784865 Ga\n0.333333 0.666667 0.715008 Au\n0.333333 0.666667 0.284992 Au\n",
"nsites": 6,
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"formula_full": "Zr2 Ga2 Au2",
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"updated_at": "2021-11-28T01:38:07.774000Z",
"spacegroup": 187
},
{
"id": "mp-1077351",
"created_at": "2022-09-04T14:45:09.736256Z",
"structure_string": "Zr2 Ga2 Cu2\n1.0\n2.122882 -3.676940 0.000000\n2.122882 3.676940 0.000000\n0.000000 0.000000 6.436656\nZr Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
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},
{
"id": "mp-1215276",
"created_at": "2022-09-04T14:42:01.420302Z",
"structure_string": "Zr2 Ga2 Cu2\n1.0\n-2.123014 -3.680110 -0.000719\n-4.246029 0.000000 0.000000\n0.000000 -0.001184 -6.559772\nZr Ga Cu\n2 2 2\ndirect\n0.999790 0.000105 0.771150 Zr\n0.000210 0.999895 0.228850 Zr\n0.666440 0.666780 0.458984 Ga\n0.333560 0.333220 0.541016 Ga\n0.333420 0.333290 0.974550 Cu\n0.666580 0.666710 0.025450 Cu\n",
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"formula_full": "Zr2 Ga2 Cu2",
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"spacegroup": 164
},
{
"id": "mp-1215776",
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"structure_string": "Zr2 Ga3 Co1\n1.0\n2.087772 4.918095 0.000000\n-2.087772 4.918095 0.000000\n0.000000 4.291655 4.945620\nZr Ga Co\n2 3 1\ndirect\n0.541171 0.541171 0.709684 Zr\n0.455778 0.455778 0.295298 Zr\n0.852471 0.852471 0.675054 Ga\n0.822362 0.822362 0.133900 Ga\n0.162379 0.162379 0.899260 Ga\n0.165838 0.165838 0.286803 Co\n",
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{
"id": "mp-1215639",
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{
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{
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"structure_string": "Zr2 Ga4\n1.0\n2.008132 -6.508272 0.000000\n2.008132 6.508272 0.000000\n0.000000 0.000000 4.157155\nZr Ga\n2 4\ndirect\n0.650056 0.349944 0.000000 Zr\n0.349944 0.650056 0.000000 Zr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.821984 0.178016 0.500000 Ga\n0.178016 0.821984 0.500000 Ga\n",
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}
]
}