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{
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{
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"spacegroup": 74
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{
"id": "mp-1104526",
"created_at": "2022-09-04T14:39:15.300810Z",
"structure_string": "Sc2 Ni8 As4\n1.0\n7.084274 0.000000 0.000000\n0.000000 7.084274 0.000000\n0.000000 0.000000 3.746519\nSc Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.589868 0.154878 0.500000 Ni\n0.410132 0.845122 0.500000 Ni\n0.089868 0.345122 0.000000 Ni\n0.910132 0.654878 0.000000 Ni\n0.154878 0.589868 0.500000 Ni\n0.845122 0.410132 0.500000 Ni\n0.345122 0.089868 0.000000 Ni\n0.654878 0.910132 0.000000 Ni\n0.716617 0.716617 0.500000 As\n0.283383 0.283383 0.500000 As\n0.216617 0.783383 0.000000 As\n0.783383 0.216617 0.000000 As\n",
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"formula_full": "Sc2 Ni8 As4",
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"energy": -85.77470308,
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},
{
"id": "mp-1104294",
"created_at": "2022-09-04T14:39:15.321801Z",
"structure_string": "Ce6 Pt8\n1.0\n4.356656 -6.781389 0.000000\n4.356656 6.781389 0.000000\n-6.198973 0.000000 5.151740\nCe Pt\n6 8\ndirect\n0.026376 0.281648 0.404337 Ce\n0.281648 0.404337 0.026376 Ce\n0.404337 0.026376 0.281648 Ce\n0.973624 0.718352 0.595663 Ce\n0.718352 0.595663 0.973624 Ce\n0.595663 0.973624 0.718352 Ce\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.059584 0.551818 0.223274 Pt\n0.551818 0.223274 0.059584 Pt\n0.223274 0.059584 0.551818 Pt\n0.940416 0.448182 0.776726 Pt\n0.448182 0.776726 0.940416 Pt\n0.776726 0.940416 0.448182 Pt\n",
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"spacegroup": 148
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{
"id": "mp-990440",
"created_at": "2022-09-04T14:39:15.324934Z",
"structure_string": "Na8 Zr4 O12\n1.0\n4.934270 2.845238 0.000000\n-4.934270 2.845238 0.000000\n0.000000 1.937009 11.073040\nNa Zr O\n8 4 12\ndirect\n0.084438 0.915562 0.750000 Na\n0.915562 0.084438 0.250000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.159904 0.319034 0.500131 Na\n0.680966 0.840096 0.999869 Na\n0.840096 0.680966 0.499869 Na\n0.319034 0.159904 0.000131 Na\n0.417695 0.582305 0.750000 Zr\n0.582305 0.417695 0.250000 Zr\n0.249850 0.750150 0.250000 Zr\n0.750150 0.249850 0.750000 Zr\n0.321628 0.490478 0.144379 O\n0.509522 0.678372 0.355621 O\n0.678372 0.509522 0.855621 O\n0.490478 0.321628 0.644379 O\n0.120164 0.579789 0.644627 O\n0.420211 0.879836 0.855373 O\n0.879836 0.420211 0.355373 O\n0.579789 0.120164 0.144627 O\n0.048057 0.249107 0.857394 O\n0.750893 0.951943 0.642606 O\n0.951943 0.750893 0.142606 O\n0.249107 0.048057 0.357394 O\n",
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"updated_at": "2021-11-28T01:34:40.606000Z",
"spacegroup": 15
},
{
"id": "mp-1112070",
"created_at": "2022-09-04T14:39:15.331422Z",
"structure_string": "K2 Ga1 Au1 Br6\n1.0\n0.000000 5.403109 5.403109\n5.403109 0.000000 5.403109\n5.403109 5.403109 0.000000\nK Ga Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.757374 0.242626 0.242626 Br\n0.242626 0.242626 0.757374 Br\n0.242626 0.757374 0.757374 Br\n0.242626 0.757374 0.242626 Br\n0.757374 0.242626 0.757374 Br\n0.757374 0.757374 0.242626 Br\n",
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{
"id": "mp-735484",
"created_at": "2022-09-04T14:39:15.331226Z",
"structure_string": "Cr4 P8 H68 N16 O36\n1.0\n13.894430 0.000000 0.000000\n0.000000 7.574046 0.000000\n0.000000 0.727711 11.683186\nCr P H N O\n4 8 68 16 36\ndirect\n0.955170 0.886429 0.718044 Cr\n0.455170 0.113571 0.781956 Cr\n0.044830 0.113571 0.281956 Cr\n0.544830 0.886429 0.218044 Cr\n0.807781 0.160691 0.594796 P\n0.307781 0.839309 0.905204 P\n0.192219 0.839309 0.405204 P\n0.692219 0.160691 0.094796 P\n0.913047 0.270896 0.797814 P\n0.413047 0.729104 0.702186 P\n0.086953 0.729104 0.202186 P\n0.586953 0.270896 0.297814 P\n0.794158 0.312661 0.928087 H\n0.294158 0.687339 0.571913 H\n0.205842 0.687339 0.071913 H\n0.705842 0.312661 0.428087 H\n0.978323 0.775776 0.929665 H\n0.478323 0.224224 0.570335 H\n0.021677 0.224224 0.070335 H\n0.521677 0.775776 0.429665 H\n0.088751 0.793298 0.872272 H\n0.588751 0.206702 0.627728 H\n0.911249 0.206702 0.127728 H\n0.411249 0.793298 0.372272 H\n0.020038 0.616497 0.851085 H\n0.520038 0.383503 0.648915 H\n0.979962 0.383503 0.148915 H\n0.479962 0.616497 0.351085 H\n0.001313 0.566114 0.661607 H\n0.501313 0.433886 0.838393 H\n0.998687 0.433886 0.338393 H\n0.498687 0.566114 0.161607 H\n0.937465 0.668852 0.555318 H\n0.437465 0.331148 0.944682 H\n0.062535 0.331148 0.444682 H\n0.562535 0.668852 0.055318 H\n0.056347 0.710908 0.571460 H\n0.556347 0.289092 0.928540 H\n0.943653 0.289092 0.428540 H\n0.443653 0.710908 0.071460 H\n0.095533 0.012734 0.585841 H\n0.595533 0.987266 0.914159 H\n0.904467 0.987266 0.414159 H\n0.404467 0.012734 0.085841 H\n0.139523 0.970799 0.719006 H\n0.639523 0.029201 0.780994 H\n0.860477 0.029201 0.280994 H\n0.360477 0.970799 0.219006 H\n0.075562 0.152698 0.687110 H\n0.575562 0.847302 0.812890 H\n0.924438 0.847302 0.312890 H\n0.424438 0.152698 0.187110 H\n0.836317 0.650773 0.827008 H\n0.336317 0.349227 0.672992 H\n0.163683 0.349227 0.172992 H\n0.663683 0.650773 0.327008 H\n0.779816 0.837544 0.789443 H\n0.279816 0.162456 0.710557 H\n0.220184 0.162456 0.210557 H\n0.720184 0.837544 0.289443 H\n0.798075 0.689907 0.694103 H\n0.298075 0.310093 0.805897 H\n0.201925 0.310093 0.305897 H\n0.701925 0.689907 0.194103 H\n0.896249 0.712846 0.113072 H\n0.396249 0.287154 0.386928 H\n0.103751 0.287154 0.886928 H\n0.603751 0.712846 0.613072 H\n0.837039 0.883799 0.073515 H\n0.337039 0.116201 0.426485 H\n0.162961 0.116201 0.926485 H\n0.662961 0.883799 0.573515 H\n0.817615 0.509862 0.466886 H\n0.317615 0.490138 0.033114 H\n0.182385 0.490138 0.533114 H\n0.682385 0.509862 0.966886 H\n0.760705 0.676603 0.500976 H\n0.260705 0.323397 0.999024 H\n0.239295 0.323397 0.499024 H\n0.739295 0.676603 0.000976 H\n0.019275 0.750586 0.859261 N\n0.519275 0.249414 0.640739 N\n0.980725 0.249414 0.140739 N\n0.480725 0.750586 0.359261 N\n0.992682 0.683899 0.613650 N\n0.492682 0.316101 0.886350 N\n0.007318 0.316101 0.386350 N\n0.507318 0.683899 0.113650 N\n0.082214 0.021122 0.671824 N\n0.582214 0.978878 0.828176 N\n0.917786 0.978878 0.328176 N\n0.417786 0.021122 0.171824 N\n0.828035 0.747231 0.762377 N\n0.328035 0.252769 0.737623 N\n0.171965 0.252769 0.237623 N\n0.671965 0.747231 0.262377 N\n0.889635 0.023671 0.586551 O\n0.389635 0.976329 0.913449 O\n0.110365 0.976329 0.413449 O\n0.610365 0.023671 0.086551 O\n0.799603 0.268832 0.479984 O\n0.299603 0.731168 0.020016 O\n0.200397 0.731168 0.520016 O\n0.700397 0.268832 0.979984 O\n0.713766 0.082506 0.641095 O\n0.213766 0.917494 0.858905 O\n0.286234 0.917494 0.358905 O\n0.786234 0.082506 0.141095 O\n0.846394 0.306492 0.684287 O\n0.346394 0.693508 0.815713 O\n0.153606 0.693508 0.315713 O\n0.653606 0.306492 0.184287 O\n0.916952 0.071504 0.825762 O\n0.416952 0.928496 0.674238 O\n0.083048 0.928496 0.174238 O\n0.583048 0.071504 0.325762 O\n0.009137 0.362672 0.776801 O\n0.509137 0.637328 0.723199 O\n0.990863 0.637328 0.223199 O\n0.490863 0.362672 0.276801 O\n0.859143 0.365369 0.894558 O\n0.359143 0.634631 0.605442 O\n0.140857 0.634631 0.105442 O\n0.640857 0.365369 0.394558 O\n0.854699 0.763849 0.050958 O\n0.354699 0.236151 0.449042 O\n0.145301 0.236151 0.949042 O\n0.645301 0.763849 0.550958 O\n0.823088 0.639490 0.469325 O\n0.323088 0.360510 0.030675 O\n0.176912 0.360510 0.530675 O\n0.676912 0.639490 0.969325 O\n",
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{
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"structure_string": "K1 Eu1 Mn1 Bi1 O6\n1.0\n0.000000 -4.087471 -4.087471\n4.087471 -0.000000 -4.087471\n4.087471 -4.087471 0.000000\nK Eu Mn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Bi\n0.739258 0.260742 0.260742 O\n0.260742 0.739258 0.739258 O\n0.739258 0.260742 0.739258 O\n0.260742 0.739258 0.260742 O\n0.739258 0.739258 0.260742 O\n0.260742 0.260742 0.739258 O\n",
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{
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