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{
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{
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"created_at": "2022-09-04T14:40:12.839981Z",
"structure_string": "Ga3 Te3 As1\n1.0\n-2.950093 -2.950093 0.000000\n2.958649 -5.908742 -3.022441\n2.942187 -2.942187 6.007928\nGa Te As\n3 3 1\ndirect\n0.998012 0.003976 0.983419 Ga\n0.250877 0.498247 0.737110 Ga\n0.496856 0.006288 0.516933 Ga\n0.309100 0.381800 0.418561 Te\n0.573897 0.852207 0.191910 Te\n0.804741 0.390518 0.966337 Te\n0.066518 0.866964 0.685731 As\n",
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{
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"structure_string": "Cr4 Cd4 O16\n1.0\n4.935340 5.294007 0.000000\n-4.935340 5.294007 0.000000\n0.000000 1.443924 7.048832\nCr Cd O\n4 4 16\ndirect\n0.726255 0.726255 0.417868 Cr\n0.273745 0.273745 0.582132 Cr\n0.744332 0.255668 0.000000 Cr\n0.255668 0.744332 0.000000 Cr\n0.210679 0.210679 0.125136 Cd\n0.789321 0.789321 0.874864 Cd\n0.812818 0.187182 0.500000 Cd\n0.187182 0.812818 0.500000 Cd\n0.220983 0.496090 0.521569 O\n0.503910 0.779017 0.478431 O\n0.779017 0.503910 0.478431 O\n0.496090 0.220983 0.521569 O\n0.114920 0.795827 0.828324 O\n0.204173 0.885080 0.171676 O\n0.885080 0.204173 0.171676 O\n0.795827 0.114920 0.828324 O\n0.854137 0.854137 0.539458 O\n0.145863 0.145863 0.460542 O\n0.215747 0.215747 0.810956 O\n0.784253 0.784253 0.189044 O\n0.471970 0.773806 0.901339 O\n0.226194 0.528030 0.098661 O\n0.528030 0.226194 0.098661 O\n0.773806 0.471970 0.901339 O\n",
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{
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"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n1.675632 -2.902280 0.000000\n1.675632 2.902280 0.000000\n0.000000 0.000000 31.048852\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.000000 0.000000 0.408322 Te\n0.000000 0.000000 0.285548 Te\n0.000000 0.000000 0.115648 Mo\n0.000000 0.000000 0.578372 W\n0.333333 0.666667 0.346935 W\n0.333333 0.666667 0.524456 Se\n0.333333 0.666667 0.632263 Se\n0.333333 0.666667 0.066848 S\n0.333333 0.666667 0.164450 S\n",
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{
"id": "mp-1228119",
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{
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"structure_string": "Li6 Rh2\n1.0\n2.679876 -4.641682 0.000000\n2.679876 4.641682 0.000000\n0.000000 0.000000 4.481025\nLi Rh\n6 2\ndirect\n0.174443 0.348885 0.250000 Li\n0.651115 0.825557 0.250000 Li\n0.174443 0.825557 0.250000 Li\n0.825557 0.651115 0.750000 Li\n0.348885 0.174443 0.750000 Li\n0.825557 0.174443 0.750000 Li\n0.333333 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n",
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{
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"structure_string": "K8 Na4 Mn4 O16\n1.0\n7.310020 -0.025254 -2.773898\n-1.715055 7.106027 -2.773898\n0.012618 0.015969 10.146944\nK Na Mn O\n8 4 4 16\ndirect\n0.057955 0.307955 0.250000 K\n0.692045 0.942045 0.250000 K\n0.307955 0.057955 0.750000 K\n0.735300 0.485300 0.970600 K\n0.485300 0.735300 0.470600 K\n0.264700 0.514700 0.029400 K\n0.942045 0.692045 0.750000 K\n0.514700 0.264700 0.529400 K\n0.716695 0.966695 0.933389 Na\n0.966695 0.716695 0.433389 Na\n0.283305 0.033305 0.066611 Na\n0.033305 0.283305 0.566611 Na\n0.868814 0.131186 0.750000 Mn\n0.131186 0.868814 0.250000 Mn\n0.618814 0.381186 0.250000 Mn\n0.381186 0.618814 0.750000 Mn\n0.917939 0.356437 0.762442 O\n0.356437 0.917939 0.262442 O\n0.615820 0.203980 0.088434 O\n0.082061 0.643563 0.237558 O\n0.384180 0.796020 0.911566 O\n0.203980 0.615820 0.588434 O\n0.884455 0.972615 0.588434 O\n0.643563 0.082061 0.737558 O\n0.972615 0.884455 0.088434 O\n0.406004 0.344502 0.262442 O\n0.655497 0.593996 0.237558 O\n0.344502 0.406004 0.762442 O\n0.593996 0.655497 0.737558 O\n0.027385 0.115545 0.911566 O\n0.796020 0.384180 0.411566 O\n0.115545 0.027385 0.411566 O\n",
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{
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"structure_string": "Eu1 Ni1 O3\n1.0\n3.792445 0.000000 0.000000\n0.000000 3.792445 0.000000\n0.000000 0.000000 3.792445\nEu Ni O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Y4 Co4 Sn4\n1.0\n4.532743 0.000000 0.000000\n0.000000 7.169089 0.000000\n0.000000 0.000000 7.528117\nY Co Sn\n4 4 4\ndirect\n0.250000 0.982389 0.799243 Y\n0.250000 0.482389 0.700757 Y\n0.750000 0.017611 0.200757 Y\n0.750000 0.517611 0.299243 Y\n0.250000 0.180070 0.424409 Co\n0.250000 0.680070 0.075591 Co\n0.750000 0.819930 0.575591 Co\n0.750000 0.319930 0.924409 Co\n0.250000 0.804641 0.405050 Sn\n0.250000 0.304641 0.094950 Sn\n0.750000 0.195359 0.594950 Sn\n0.750000 0.695359 0.905050 Sn\n",
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"elements": [
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],
"chemical_system": "Co-Sn-Y",
"density": 7.237270276218494,
"density_atomic": 0.04905347944872229,
"volume": 244.63096471156783,
"volume_molar": 12.276684197897119,
"formula_full": "Y4 Co4 Sn4",
"formula_reduced": "YCoSn",
"formula_anonymous": "ABC",
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},
{
"id": "mp-1182825",
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"structure_string": "K4 C1 O4\n1.0\n9.155065 3.933370 5.364617\n-2.175344 2.199909 2.571542\n-4.816936 -5.491735 1.033997\nK C O\n4 1 4\ndirect\n0.163402 0.601374 0.440092 K\n0.397781 0.535676 0.110931 K\n0.907215 0.888222 0.473148 K\n0.540979 0.981203 0.815462 K\n0.975881 0.394374 0.854356 C\n0.205163 0.091873 0.719318 O\n0.950899 0.174030 0.922663 O\n0.405524 0.511377 0.478642 O\n0.698736 0.444660 0.185389 O\n",
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],
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"volume": 231.1755980669908,
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"formula_full": "K4 C1 O4",
"formula_reduced": "K4CO4",
"formula_anonymous": "AB4C4",
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}
]
}