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{
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{
"id": "mp-1018067",
"created_at": "2022-09-04T14:43:20.346321Z",
"structure_string": "Cr1 Fe3\n1.0\n0.000000 2.837096 2.837096\n2.837096 0.000000 2.837096\n2.837096 2.837096 0.000000\nCr Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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{
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{
"id": "mp-1237584",
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"structure_string": "Cr1 Fe2 Te4\n1.0\n0.025686 -3.450014 -1.983986\n-0.032780 -3.334118 5.761147\n-5.718859 -0.037189 -0.001446\nCr Fe Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Fe\n0.250000 0.750000 0.000000 Fe\n0.748790 0.906975 0.756215 Te\n0.249487 0.408343 0.763881 Te\n0.250513 0.091657 0.236119 Te\n0.751210 0.593025 0.243785 Te\n",
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"volume": 151.50098663543764,
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"formula_full": "Cr1 Fe2 Te4",
"formula_reduced": "Cr(FeTe2)2",
"formula_anonymous": "AB2C4",
"energy": -41.02164835,
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{
"id": "mp-1008226",
"created_at": "2022-09-04T14:40:42.349796Z",
"structure_string": "Cr1 Fe2 Sn1\n1.0\n0.000000 3.002795 3.002795\n3.002795 0.000000 3.002795\n3.002795 3.002795 0.000000\nCr Fe Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sn\n",
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"volume": 54.15107066011922,
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"formula_full": "Cr1 Fe2 Sn1",
"formula_reduced": "CrFe2Sn",
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},
{
"id": "mp-1018068",
"created_at": "2022-09-04T14:44:56.044584Z",
"structure_string": "Cr1 Fe2 Si1\n1.0\n0.000000 2.795308 2.795308\n2.795308 0.000000 2.795308\n2.795308 2.795308 0.000000\nCr Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Si\n",
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"formula_full": "Cr1 Fe2 Si1",
"formula_reduced": "CrFe2Si",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:49.255000Z",
"spacegroup": 225
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{
"id": "mp-673844",
"created_at": "2022-09-04T14:46:01.454676Z",
"structure_string": "Cr1 Fe2 Se4\n1.0\n4.611858 0.000000 0.000000\n-0.046025 5.932688 0.000000\n-2.235165 -2.721335 5.345032\nCr Fe Se\n1 2 4\ndirect\n0.668659 0.211840 0.010088 Cr\n0.209133 0.746895 0.779684 Fe\n0.429586 0.682535 0.211120 Fe\n0.368678 0.071785 0.198504 Se\n0.977498 0.632202 0.324199 Se\n0.194654 0.357473 0.798216 Se\n0.651791 0.797270 0.678188 Se\n",
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"density": 5.444820938700997,
"density_atomic": 0.04786524587927301,
"volume": 146.2438951563225,
"volume_molar": 12.581447456029379,
"formula_full": "Cr1 Fe2 Se4",
"formula_reduced": "Cr(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy": -43.2270363,
"energy_per_atom": -6.1752909,
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"updated_at": "2021-11-28T01:37:14.530000Z",
"spacegroup": 1
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{
"id": "mp-568349",
"created_at": "2022-09-04T14:39:31.856395Z",
"structure_string": "Cr1 Fe2 Se4\n1.0\n1.763449 6.404641 0.000000\n-1.763449 6.404641 0.000000\n0.000000 2.809481 5.519968\nCr Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.255993 0.255993 0.692861 Fe\n0.744007 0.744007 0.307139 Fe\n0.639932 0.639932 0.019216 Se\n0.887297 0.887297 0.456706 Se\n0.112703 0.112703 0.543294 Se\n0.360068 0.360068 0.980784 Se\n",
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"volume": 124.68788291307429,
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"formula_full": "Cr1 Fe2 Se4",
"formula_reduced": "Cr(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy": -44.49971951,
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"updated_at": "2021-11-28T01:34:38.767000Z",
"spacegroup": 12
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{
"id": "mp-1226067",
"created_at": "2022-09-04T14:43:10.256802Z",
"structure_string": "Cr1 Fe2 Se4\n1.0\n0.000000 3.543866 0.000000\n6.262232 0.000000 -0.120523\n-3.157340 1.771933 -5.523259\nCr Fe Se\n1 2 4\ndirect\n0.758036 0.211870 0.483928 Cr\n0.498136 0.496045 0.003729 Fe\n0.242868 0.790352 0.514264 Fe\n0.866184 0.473504 0.267631 Se\n0.132807 0.531970 0.734386 Se\n0.388149 0.943678 0.223702 Se\n0.613820 0.052581 0.772360 Se\n",
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"volume": 123.92354122544602,
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"formula_full": "Cr1 Fe2 Se4",
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{
"id": "mp-1008225",
"created_at": "2022-09-04T14:42:39.613055Z",
"structure_string": "Cr1 Fe2 Sb1\n1.0\n0.000000 2.975944 2.975944\n2.975944 0.000000 2.975944\n2.975944 2.975944 0.000000\nCr Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Sb\n",
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"formula_anonymous": "ABC2",
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{
"id": "mp-1009592",
"created_at": "2022-09-04T14:48:11.740605Z",
"structure_string": "Cr1 Fe1 Te1\n1.0\n0.000000 2.931846 2.931846\n2.931846 0.000000 2.931846\n2.931846 2.931846 0.000000\nCr Fe Te\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Te\n",
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"formula_full": "Cr1 Fe1 Te1",
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{
"id": "mp-1226216",
"created_at": "2022-09-04T14:43:22.944159Z",
"structure_string": "Cr1 Fe1 Sb4\n1.0\n3.224377 0.000000 0.000000\n0.000000 5.943649 0.000000\n0.000000 0.007170 6.690724\nCr Fe Sb\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.303027 0.866233 Sb\n0.500000 0.696973 0.133767 Sb\n0.000000 0.822287 0.652075 Sb\n0.000000 0.177713 0.347925 Sb\n",
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"volume": 128.22481587604773,
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"formula_full": "Cr1 Fe1 Sb4",
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{
"id": "mp-1226240",
"created_at": "2022-09-04T14:44:09.049242Z",
"structure_string": "Cr1 Fe1 S2\n1.0\n1.646674 -2.852123 0.000000\n1.646674 2.852123 0.000000\n0.000000 0.000000 5.315895\nCr Fe S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.236310 S\n0.666667 0.333333 0.763690 S\n",
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"updated_at": "2021-11-28T01:36:31.654000Z",
"spacegroup": 164
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]
}