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{
"id": "mp-1221773",
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"structure_string": "Mn1 Fe2 O3\n1.0\n-1.605846 2.138600 4.779354\n1.605846 -2.138600 4.779354\n1.605846 2.138600 -4.779354\nMn Fe O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.666027 0.666027 0.000000 Fe\n0.333973 0.333973 0.000000 Fe\n0.500000 0.000000 0.500000 O\n0.169166 0.669166 0.500000 O\n0.830834 0.330834 0.500000 O\n",
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{
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{
"id": "mp-1216551",
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"structure_string": "Tm2 Al2 Cu2\n1.0\n-2.685789 2.690278 3.740550\n2.685789 -2.690278 3.740550\n2.685789 2.690278 -3.740550\nTm Al Cu\n2 2 2\ndirect\n0.125137 0.875137 0.250000 Tm\n0.874863 0.124863 0.750000 Tm\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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"volume": 108.10966126968688,
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"formula_full": "Tm2 Al2 Cu2",
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{
"id": "mp-34289",
"created_at": "2022-09-04T14:46:16.087937Z",
"structure_string": "Ti1 Nb1 S4\n1.0\n1.692706 6.793254 0.000000\n-1.692706 6.793254 0.000000\n0.000000 2.524073 5.312956\nTi Nb S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Nb\n0.877031 0.877031 0.795274 S\n0.619981 0.619981 0.718202 S\n0.380019 0.380019 0.281798 S\n0.122969 0.122969 0.204726 S\n",
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"volume": 122.18716875297395,
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"spacegroup": 12
},
{
"id": "mp-1077788",
"created_at": "2022-09-04T14:46:12.369813Z",
"structure_string": "B2 Pt4\n1.0\n1.475848 -2.556244 0.000000\n1.475848 2.556244 0.000000\n0.000000 0.000000 10.390903\nB Pt\n2 4\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.333333 0.666667 0.883791 Pt\n0.666667 0.333333 0.116209 Pt\n0.666667 0.333333 0.383791 Pt\n0.333333 0.666667 0.616209 Pt\n",
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"volume": 78.40201478770777,
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"formula_full": "B2 Pt4",
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"updated_at": "2021-11-28T01:37:24.212000Z",
"spacegroup": 194
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{
"id": "mp-6948",
"created_at": "2022-09-04T14:46:07.298891Z",
"structure_string": "K2 Na2 O2\n1.0\n4.051093 0.000000 0.000000\n0.000000 4.051093 0.000000\n0.000000 0.000000 6.296392\nK Na O\n2 2 2\ndirect\n0.500000 0.000000 0.366917 K\n0.000000 0.500000 0.633083 K\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.206966 O\n0.500000 0.000000 0.793034 O\n",
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"density": 2.509714132213334,
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"volume": 103.332321149272,
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"formula_full": "K2 Na2 O2",
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"updated_at": "2021-11-28T01:37:25.902000Z",
"spacegroup": 129
},
{
"id": "mp-32959",
"created_at": "2022-09-04T14:46:20.723927Z",
"structure_string": "H4 O2\n1.0\n3.413821 0.000000 0.000000\n0.000000 3.413821 0.000000\n0.000000 0.000000 3.381228\nH O\n4 2\ndirect\n0.336943 0.336943 0.327406 H\n0.663057 0.663057 0.327406 H\n0.836943 0.163057 0.827406 H\n0.163057 0.836943 0.827406 H\n0.000000 0.000000 0.005188 O\n0.500000 0.500000 0.505188 O\n",
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"volume": 39.40541883718959,
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"formula_full": "H4 O2",
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"energy": -30.75168684,
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"spacegroup": 102
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{
"id": "mp-571183",
"created_at": "2022-09-04T14:46:09.061413Z",
"structure_string": "Tm2 Fe4\n1.0\n4.399856 0.000000 2.540258\n1.466619 4.148224 2.540258\n0.000000 0.000000 5.080516\nTm Fe\n2 4\ndirect\n0.875000 0.875000 0.875000 Tm\n0.125000 0.125000 0.125000 Tm\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n",
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"formula_full": "Tm2 Fe4",
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{
"id": "mp-1222921",
"created_at": "2022-09-04T14:46:07.191798Z",
"structure_string": "La1 Al1 Cu4\n1.0\n2.666866 -4.619147 0.000000\n2.666866 4.619147 0.000000\n0.000000 0.000000 4.021300\nLa Al Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 La\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.000000 Cu\n0.832237 0.167763 0.500000 Cu\n0.832237 0.664475 0.500000 Cu\n0.335525 0.167763 0.500000 Cu\n",
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{
"id": "mp-1094474",
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"structure_string": "Mg3 Zn3\n1.0\n1.524973 -7.587880 0.000000\n1.524973 7.587880 0.000000\n0.000000 0.000000 4.800304\nMg Zn\n3 3\ndirect\n0.998286 0.001714 0.000000 Mg\n0.673049 0.326951 0.000000 Mg\n0.439279 0.560721 0.500000 Mg\n0.333241 0.666759 0.000000 Zn\n0.113130 0.886870 0.500000 Zn\n0.776348 0.223652 0.500000 Zn\n",
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{
"id": "mp-1215980",
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"structure_string": "Y2 Fe2 Cu2\n1.0\n-2.532175 2.589765 3.763784\n2.532175 -2.589765 3.763784\n2.532175 2.589765 -3.763784\nY Fe Cu\n2 2 2\ndirect\n0.370807 0.120807 0.250000 Y\n0.629193 0.879193 0.750000 Y\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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{
"id": "mp-1225787",
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"structure_string": "Eu2 In3 Cu1\n1.0\n0.000000 0.000000 -3.741739\n-2.482566 -4.301022 0.000000\n-7.450563 4.302664 0.000000\nEu In Cu\n2 3 1\ndirect\n0.000000 0.999774 0.014200 Eu\n0.000000 0.500189 0.491320 Eu\n0.500000 0.499980 0.835912 In\n0.500000 0.499846 0.181859 In\n0.500000 0.000005 0.648033 In\n0.500000 0.000005 0.328676 Cu\n",
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"energy": -35.0218682,
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"updated_at": "2021-11-28T01:37:32.482000Z",
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}
]
}