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{
"id": "mp-758061",
"created_at": "2022-09-04T14:44:22.665984Z",
"structure_string": "Co25 Cu11 O48\n1.0\n8.625504 4.962158 0.000000\n-8.625504 4.962158 0.000000\n0.000000 3.271075 9.371212\nCo Cu O\n25 11 48\ndirect\n0.146177 0.146177 0.062318 Co\n0.251030 0.417820 0.248693 Co\n0.084752 0.584706 0.249825 Co\n0.417820 0.251030 0.248693 Co\n0.251653 0.917295 0.250325 Co\n0.000781 0.666831 0.500283 Co\n0.332057 0.332057 0.499324 Co\n0.081411 0.081411 0.750177 Co\n0.583738 0.583738 0.250686 Co\n0.917437 0.750579 0.251730 Co\n0.584706 0.084752 0.249825 Co\n0.082901 0.583399 0.749947 Co\n0.750579 0.917437 0.251730 Co\n0.416186 0.248906 0.748957 Co\n0.248906 0.416186 0.748957 Co\n0.166721 0.501482 0.999236 Co\n0.666831 0.000781 0.500283 Co\n0.415483 0.750073 0.749314 Co\n0.917295 0.251653 0.250325 Co\n0.914535 0.748157 0.751003 Co\n0.748157 0.914535 0.751003 Co\n0.583399 0.082901 0.749947 Co\n0.750073 0.415483 0.749314 Co\n0.501482 0.166721 0.999236 Co\n0.832003 0.832003 0.001699 Co\n0.020808 0.020808 0.439577 Cu\n0.481279 0.813570 0.062296 Cu\n0.355208 0.687277 0.437075 Cu\n0.311697 0.978746 0.561728 Cu\n0.813570 0.481279 0.062296 Cu\n0.644679 0.644679 0.564133 Cu\n0.687277 0.355208 0.437075 Cu\n0.186990 0.854197 0.937756 Cu\n0.519489 0.519489 0.934795 Cu\n0.978746 0.311697 0.561728 Cu\n0.854197 0.186990 0.937756 Cu\n0.046645 0.859839 0.369874 O\n0.309214 0.122307 0.130703 O\n0.122307 0.309214 0.130703 O\n0.050861 0.383938 0.353385 O\n0.272012 0.605290 0.131309 O\n0.118383 0.785167 0.146399 O\n0.229119 0.229119 0.365455 O\n0.452482 0.452482 0.144296 O\n0.525031 0.377915 0.367681 O\n0.193182 0.711886 0.368747 O\n0.023091 0.875421 0.869462 O\n0.377915 0.525031 0.367681 O\n0.457190 0.975496 0.131514 O\n0.789877 0.641859 0.133883 O\n0.139434 0.286705 0.631771 O\n0.286705 0.139434 0.631771 O\n0.641859 0.789877 0.133883 O\n0.937331 0.937331 0.133725 O\n0.605290 0.272012 0.131309 O\n0.102851 0.770611 0.633470 O\n0.383938 0.050861 0.353385 O\n0.436080 0.436080 0.632566 O\n0.716898 0.716898 0.355707 O\n0.215182 0.215182 0.853146 O\n0.061901 0.396457 0.866981 O\n0.282988 0.617297 0.645588 O\n0.563325 0.897240 0.367817 O\n0.785167 0.118383 0.146399 O\n0.210760 0.692957 0.867688 O\n0.711886 0.193182 0.368747 O\n0.358128 0.544792 0.866868 O\n0.859839 0.046645 0.369874 O\n0.544792 0.358128 0.866868 O\n0.620644 0.807401 0.631413 O\n0.807401 0.620644 0.631413 O\n0.474248 0.956033 0.631334 O\n0.975496 0.457190 0.131514 O\n0.770611 0.102851 0.633470 O\n0.547835 0.881546 0.853923 O\n0.897240 0.563325 0.367817 O\n0.396457 0.061901 0.866981 O\n0.617297 0.282988 0.645588 O\n0.727252 0.727252 0.869078 O\n0.947862 0.947862 0.647362 O\n0.692957 0.210760 0.867688 O\n0.875421 0.023091 0.869462 O\n0.956033 0.474248 0.631334 O\n0.881546 0.547835 0.853923 O\n",
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"density": 6.0864065526837265,
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"volume": 802.1966202183781,
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"formula_full": "Co25 Cu11 O48",
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{
"id": "mp-1078185",
"created_at": "2022-09-04T14:44:22.666909Z",
"structure_string": "Ba2 Lu1 Sb1 O6\n1.0\n0.000000 4.213520 4.213520\n4.213520 0.000000 4.213520\n4.213520 4.213520 0.000000\nBa Lu Sb O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Sb\n0.760290 0.760290 0.239710 O\n0.239710 0.760290 0.239710 O\n0.760290 0.239710 0.239710 O\n0.239710 0.239710 0.760290 O\n0.760290 0.239710 0.760290 O\n0.239710 0.760290 0.760290 O\n",
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"formula_full": "Ba2 Lu1 Sb1 O6",
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{
"id": "mp-1215434",
"created_at": "2022-09-04T14:44:22.670980Z",
"structure_string": "Zn1 Sn1 As2\n1.0\n4.209624 0.000000 0.000000\n0.000000 4.209624 0.000000\n0.000000 0.000000 5.920025\nZn Sn As\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.225363 As\n0.500000 0.000000 0.774637 As\n",
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"spacegroup": 115
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{
"id": "mp-94",
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"structure_string": "Cd2\n1.0\n1.503923 -2.604871 0.000000\n1.503923 2.604871 0.000000\n0.000000 0.000000 5.941963\nCd\n2\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n",
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{
"id": "mp-9194",
"created_at": "2022-09-04T14:44:22.702000Z",
"structure_string": "Sm2 Cu2 Se2 O2\n1.0\n3.970247 0.000000 0.000000\n0.000000 3.970247 0.000000\n0.000000 0.000000 8.786533\nSm Cu Se O\n2 2 2 2\ndirect\n0.000000 0.500000 0.633928 Sm\n0.500000 0.000000 0.366072 Sm\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.177144 Se\n0.500000 0.000000 0.822856 Se\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-568986",
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"structure_string": "K4 Au4 Cl16\n1.0\n6.553309 0.000000 0.000000\n0.000000 9.104976 0.000000\n0.000000 1.449517 12.422003\nK Au Cl\n4 4 16\ndirect\n0.049221 0.213434 0.816133 K\n0.450779 0.213434 0.316133 K\n0.950779 0.786566 0.183867 K\n0.549221 0.786566 0.683867 K\n0.000000 0.000000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.250306 0.334791 0.569451 Cl\n0.547710 0.093434 0.820665 Cl\n0.952290 0.093434 0.320665 Cl\n0.849309 0.493311 0.668572 Cl\n0.208777 0.876951 0.952797 Cl\n0.749694 0.665209 0.430549 Cl\n0.349309 0.506689 0.831428 Cl\n0.650691 0.493311 0.168572 Cl\n0.150691 0.506689 0.331428 Cl\n0.291223 0.876951 0.452797 Cl\n0.047710 0.906566 0.679335 Cl\n0.249694 0.334791 0.069451 Cl\n0.791223 0.123049 0.047203 Cl\n0.750306 0.665209 0.930549 Cl\n0.708777 0.123049 0.547203 Cl\n0.452290 0.906566 0.179335 Cl\n",
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{
"id": "mp-1247460",
"created_at": "2022-09-04T14:44:22.735739Z",
"structure_string": "Ba2 Ni4 N4\n1.0\n6.183712 0.090300 -0.124822\n3.024422 5.406814 0.000000\n6.318581 -3.534438 4.885678\nBa Ni N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.738208 0.500000 0.630895 Ni\n0.261792 0.500000 0.369105 Ni\n0.261792 0.238208 0.869105 Ni\n0.738208 0.761792 0.130895 Ni\n0.664692 0.500000 0.167654 N\n0.335308 0.500000 0.832346 N\n0.335308 0.164692 0.332346 N\n0.664692 0.835308 0.667654 N\n",
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{
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"structure_string": "Pm8 Mg4 Se16\n1.0\n7.670519 0.000000 0.000000\n-0.001424 8.910361 0.000000\n-1.366533 -2.284579 13.652241\nPm Mg Se\n8 4 16\ndirect\n0.865441 0.300450 0.695974 Pm\n0.134559 0.699550 0.304026 Pm\n0.757788 0.129034 0.000838 Pm\n0.242212 0.870966 0.999162 Pm\n0.631629 0.443442 0.302091 Pm\n0.368371 0.556558 0.697909 Pm\n0.633604 0.957762 0.306041 Pm\n0.366396 0.042238 0.693959 Pm\n0.865842 0.800120 0.703447 Mg\n0.134158 0.199880 0.296553 Mg\n0.750929 0.621203 0.994651 Mg\n0.249071 0.378797 0.005349 Mg\n0.911108 0.358813 0.898844 Se\n0.088892 0.641187 0.101156 Se\n0.888061 0.840812 0.891660 Se\n0.111939 0.159188 0.108340 Se\n0.837573 0.219759 0.374462 Se\n0.162427 0.780241 0.625538 Se\n0.808109 0.718875 0.379643 Se\n0.191891 0.281125 0.620357 Se\n0.699726 0.016196 0.627300 Se\n0.300274 0.983804 0.372700 Se\n0.697019 0.546882 0.626340 Se\n0.302981 0.453118 0.373660 Se\n0.610261 0.891528 0.102985 Se\n0.389739 0.108472 0.897015 Se\n0.591870 0.410508 0.099773 Se\n0.408130 0.589492 0.900227 Se\n",
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{
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{
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{
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"structure_string": "K4 Y2 P2 C2 O14\n1.0\n7.155557 0.000000 0.000000\n0.000000 5.839280 0.000000\n0.000000 0.297660 10.022082\nK Y P C O\n4 2 2 2 14\ndirect\n0.488379 0.247496 0.780374 K\n0.011621 0.247496 0.780374 K\n0.511621 0.752504 0.219626 K\n0.988379 0.752504 0.219626 K\n0.750000 0.782577 0.630998 Y\n0.250000 0.217423 0.369002 Y\n0.250000 0.710778 0.569207 P\n0.750000 0.289222 0.430793 P\n0.750000 0.728589 0.905068 C\n0.250000 0.271411 0.094932 C\n0.250000 0.301120 0.969997 O\n0.750000 0.932883 0.845282 O\n0.750000 0.554896 0.822303 O\n0.070536 0.772425 0.647053 O\n0.429464 0.772425 0.647053 O\n0.750000 0.154208 0.568492 O\n0.250000 0.447545 0.543364 O\n0.750000 0.552455 0.456636 O\n0.250000 0.845792 0.431508 O\n0.570536 0.227575 0.352947 O\n0.929464 0.227575 0.352947 O\n0.250000 0.445104 0.177697 O\n0.250000 0.067117 0.154718 O\n0.750000 0.698880 0.030003 O\n",
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"elements": [
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],
"chemical_system": "C-K-O-P-Y",
"density": 2.55438179006458,
"density_atomic": 0.05731265712839249,
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"formula_full": "K4 Y2 P2 C2 O14",
"formula_reduced": "K2YPCO7",
"formula_anonymous": "ABCD2E7",
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"energy_uncorrected": -173.13075419,
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"total_magnetization": 2.79e-05,
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"updated_at": "2021-11-28T01:36:27.462000Z",
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},
{
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"created_at": "2022-09-04T14:44:22.717837Z",
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"density_atomic": 0.07948890436183435,
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"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
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"updated_at": "2021-11-28T01:36:36.256000Z",
"spacegroup": 1
}
]
}