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{
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{
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{
"id": "mp-1519219",
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"structure_string": "Ca1 Nd1 Hf1 Fe1 O6\n1.0\n0.000000 -4.011174 -4.011174\n4.011174 0.000000 -4.011174\n4.011174 -4.011174 0.000000\nCa Nd Hf Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Fe\n0.753576 0.246424 0.246424 O\n0.246424 0.753576 0.753576 O\n0.753576 0.246424 0.753576 O\n0.246424 0.753576 0.246424 O\n0.753576 0.753576 0.246424 O\n0.246424 0.246424 0.753576 O\n",
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"formula_full": "Ca1 Nd1 Hf1 Fe1 O6",
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{
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"structure_string": "Sr2 Mg1 W1 O6\n1.0\n-2.824451 2.824451 4.044961\n2.824451 -2.824451 4.044961\n2.824451 2.824451 -4.044961\nSr Mg W O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 W\n0.741704 0.741704 0.000000 O\n0.258296 0.258296 0.000000 O\n0.701095 0.781291 0.482385 O\n0.781291 0.298905 0.080196 O\n0.298905 0.218709 0.517615 O\n0.218709 0.701095 0.919804 O\n",
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"spacegroup": 87
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{
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"created_at": "2022-09-04T14:46:00.177616Z",
"structure_string": "Na1 Y3\n1.0\n0.000000 4.011126 4.011126\n4.011126 0.000000 4.011126\n4.011126 4.011126 0.000000\nNa Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Y\n",
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"volume": 129.0710696635518,
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"updated_at": "2021-11-28T01:37:21.107000Z",
"spacegroup": 225
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{
"id": "mp-1225012",
"created_at": "2022-09-04T14:46:58.245085Z",
"structure_string": "Fe3 As3 Rh3\n1.0\n0.000000 0.000000 -3.690315\n-6.349375 -0.009798 0.000000\n-3.166202 5.503619 0.000000\nFe As Rh\n3 3 3\ndirect\n0.500000 0.603595 0.396405 Fe\n0.500000 0.396283 0.000573 Fe\n0.500000 0.999427 0.603717 Fe\n0.000000 0.334079 0.333100 As\n0.000000 0.666900 0.665921 As\n0.500000 0.999984 0.000016 As\n0.000000 0.263165 0.736835 Rh\n0.000000 0.736420 0.999954 Rh\n0.000000 0.000046 0.263580 Rh\n",
"nsites": 9,
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"elements": [
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"formula_full": "Fe3 As3 Rh3",
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{
"id": "mp-972119",
"created_at": "2022-09-04T14:42:11.490775Z",
"structure_string": "Sr1 Ca1 Tl2\n1.0\n0.000000 4.011118 4.011118\n4.011118 0.000000 4.011118\n4.011118 4.011118 0.000000\nSr Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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{
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"structure_string": "Th2 P2 S2\n1.0\n3.962944 0.000000 0.000000\n0.000000 3.962944 0.000000\n0.000000 0.000000 8.218302\nTh P S\n2 2 2\ndirect\n0.500000 0.000000 0.267360 Th\n0.000000 0.500000 0.732640 Th\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.500000 0.000000 0.632896 S\n0.000000 0.500000 0.367104 S\n",
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{
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"structure_string": "Mg4 Ni2 H8\n1.0\n3.184205 3.081505 0.000000\n-3.184205 3.081505 0.000000\n0.000000 0.060434 6.576441\nMg Ni H\n4 2 8\ndirect\n0.003458 0.505799 0.744712 Mg\n0.505799 0.003458 0.744712 Mg\n0.996542 0.494201 0.255288 Mg\n0.494201 0.996542 0.255288 Mg\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.760220 0.239780 0.000000 H\n0.239780 0.760220 0.000000 H\n0.249795 0.249795 0.982886 H\n0.750205 0.750205 0.017114 H\n0.483279 0.483279 0.266084 H\n0.516721 0.516721 0.733916 H\n0.248807 0.248807 0.517948 H\n0.751193 0.751193 0.482052 H\n",
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{
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{
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{
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"structure_string": "Ca1 Mn2 Sb2\n1.0\n4.475183 0.000035 -0.000007\n2.237622 3.875723 -0.000014\n-0.000011 -0.000020 7.440288\nCa Mn Sb\n1 2 2\ndirect\n0.999972 0.000001 0.000002 Ca\n0.333302 0.333339 0.386165 Mn\n0.666626 0.666654 0.613791 Mn\n0.666628 0.666662 0.257378 Sb\n0.333272 0.333344 0.742664 Sb\n",
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]
}