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{
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{
"id": "mp-1094295",
"created_at": "2022-09-04T14:44:10.803067Z",
"structure_string": "Sr1 Mg5\n1.0\n5.992957 -2.895281 0.000000\n5.992957 2.895281 0.000000\n4.594206 0.000000 4.815751\nSr Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.672802 0.327198 Mg\n0.833695 0.833695 0.833695 Mg\n0.672802 0.327198 0.000000 Mg\n0.327198 0.000000 0.672802 Mg\n0.166305 0.166305 0.166305 Mg\n",
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{
"id": "mp-29811",
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"structure_string": "Hf12 P12 Pd16\n1.0\n3.808181 0.000000 0.000000\n0.000000 10.058777 0.000000\n0.000000 0.000000 16.479419\nHf P Pd\n12 12 16\ndirect\n0.250000 0.912054 0.061105 Hf\n0.750000 0.087946 0.938895 Hf\n0.750000 0.412054 0.438895 Hf\n0.250000 0.587946 0.561105 Hf\n0.250000 0.618150 0.952230 Hf\n0.750000 0.381850 0.047770 Hf\n0.750000 0.118150 0.547770 Hf\n0.250000 0.881850 0.452230 Hf\n0.250000 0.478799 0.760397 Hf\n0.750000 0.521201 0.239603 Hf\n0.750000 0.978799 0.739603 Hf\n0.250000 0.021201 0.260397 Hf\n0.250000 0.109847 0.823176 P\n0.750000 0.890153 0.176824 P\n0.750000 0.609847 0.676824 P\n0.250000 0.390153 0.323176 P\n0.250000 0.966759 0.613515 P\n0.750000 0.033241 0.386485 P\n0.750000 0.466759 0.886485 P\n0.250000 0.533241 0.113515 P\n0.250000 0.320464 0.543163 P\n0.750000 0.679536 0.456837 P\n0.750000 0.820464 0.956837 P\n0.250000 0.179536 0.043163 P\n0.250000 0.310880 0.175769 Pd\n0.750000 0.689120 0.824231 Pd\n0.750000 0.810880 0.324231 Pd\n0.250000 0.189120 0.675769 Pd\n0.250000 0.731714 0.205757 Pd\n0.750000 0.268286 0.794243 Pd\n0.750000 0.231714 0.294243 Pd\n0.250000 0.768286 0.705757 Pd\n0.250000 0.617424 0.371813 Pd\n0.750000 0.382576 0.628187 Pd\n0.750000 0.117424 0.128187 Pd\n0.250000 0.882576 0.871813 Pd\n0.250000 0.181179 0.419498 Pd\n0.750000 0.818821 0.580502 Pd\n0.750000 0.681179 0.080502 Pd\n0.250000 0.318821 0.919498 Pd\n",
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{
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"structure_string": "Ba2 Tl2 Fe3 O10\n1.0\n3.687247 0.000000 0.000000\n-0.011071 3.888280 0.000000\n-0.083908 -0.027786 18.270548\nBa Tl Fe O\n2 2 3 10\ndirect\n0.222719 0.203103 0.268678 Ba\n0.776278 0.705813 0.728459 Ba\n0.724812 0.699098 0.434980 Tl\n0.240213 0.195192 0.563977 Tl\n0.296852 0.207471 0.864955 Fe\n0.728705 0.702342 0.133271 Fe\n0.236220 0.708681 0.985169 Fe\n0.296217 0.707738 0.869858 O\n0.267949 0.205364 0.675232 O\n0.792373 0.207127 0.819394 O\n0.722671 0.727685 0.549313 O\n0.735715 0.707712 0.028594 O\n0.227650 0.702018 0.163678 O\n0.712894 0.704284 0.324097 O\n0.724837 0.202390 0.165525 O\n0.210656 0.224564 0.450381 O\n0.233708 0.208123 0.967493 O\n",
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"formula_full": "Ba2 Tl2 Fe3 O10",
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"structure_string": "Cu18 P6\n1.0\n3.483502 -6.033603 0.000000\n3.483502 6.033603 0.000000\n0.000000 0.000000 7.179087\nCu P\n18 6\ndirect\n0.374666 0.065567 0.075999 Cu\n0.934433 0.309100 0.075999 Cu\n0.690900 0.625334 0.075999 Cu\n0.309100 0.934433 0.424001 Cu\n0.625334 0.690900 0.424001 Cu\n0.065567 0.374666 0.424001 Cu\n0.625334 0.934433 0.924001 Cu\n0.065567 0.690900 0.924001 Cu\n0.309100 0.374666 0.924001 Cu\n0.690900 0.065567 0.575999 Cu\n0.374666 0.309100 0.575999 Cu\n0.934433 0.625334 0.575999 Cu\n0.333333 0.666667 0.174818 Cu\n0.666667 0.333333 0.325182 Cu\n0.666667 0.333333 0.825182 Cu\n0.333333 0.666667 0.674818 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.663309 0.000000 0.250000 P\n0.000000 0.663309 0.250000 P\n0.336691 0.336691 0.250000 P\n0.336691 0.000000 0.750000 P\n0.000000 0.336691 0.750000 P\n0.663309 0.663309 0.750000 P\n",
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{
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"structure_string": "Cr4 S8\n1.0\n0.000000 4.779781 4.779781\n4.779781 0.000000 4.779781\n4.779781 4.779781 0.000000\nCr S\n4 8\ndirect\n0.625000 0.625000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.871234 0.871234 0.386297 S\n0.871234 0.871234 0.871234 S\n0.863703 0.378766 0.378766 S\n0.378766 0.378766 0.863703 S\n0.378766 0.378766 0.378766 S\n0.386297 0.871234 0.871234 S\n0.871234 0.386297 0.871234 S\n0.378766 0.863703 0.378766 S\n",
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{
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"structure_string": "Sr1 Ca7 Mn6 Cr2 O24\n1.0\n7.645433 0.000000 0.000000\n0.000000 7.613219 0.002602\n0.000000 0.002602 7.613219\nSr Ca Mn Cr O\n1 7 6 2 24\ndirect\n0.250000 0.250780 0.250780 Sr\n0.250000 0.250654 0.748834 Ca\n0.250000 0.748834 0.250654 Ca\n0.250000 0.749170 0.749170 Ca\n0.750000 0.250817 0.250817 Ca\n0.750000 0.251236 0.749367 Ca\n0.750000 0.749367 0.251236 Ca\n0.750000 0.748912 0.748912 Ca\n0.999633 0.999650 0.500285 Mn\n0.999633 0.500285 0.999650 Mn\n0.999640 0.500357 0.500357 Mn\n0.500367 0.999650 0.500285 Mn\n0.500367 0.500285 0.999650 Mn\n0.500360 0.500357 0.500357 Mn\n0.999642 0.999553 0.999553 Cr\n0.500358 0.999553 0.999553 Cr\n0.997284 0.998564 0.250111 O\n0.000509 0.999245 0.749958 O\n0.997797 0.502097 0.249926 O\n0.999983 0.500163 0.750058 O\n0.502716 0.998564 0.250111 O\n0.499491 0.999245 0.749958 O\n0.502203 0.502097 0.249926 O\n0.500017 0.500163 0.750058 O\n0.250000 0.997503 0.997503 O\n0.250000 0.997718 0.502229 O\n0.250000 0.502229 0.997718 O\n0.250000 0.502150 0.502150 O\n0.750000 0.000492 0.000492 O\n0.750000 0.000066 0.500040 O\n0.750000 0.500040 0.000066 O\n0.750000 0.500096 0.500096 O\n0.997284 0.250111 0.998564 O\n0.997797 0.249926 0.502097 O\n0.000509 0.749958 0.999245 O\n0.999983 0.750058 0.500163 O\n0.502716 0.250111 0.998564 O\n0.502203 0.249926 0.502097 O\n0.499491 0.749958 0.999245 O\n0.500017 0.750058 0.500163 O\n",
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{
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"structure_string": "V16 O24\n1.0\n8.273488 0.000000 0.000000\n-2.759807 7.814962 0.000000\n-2.726183 -3.908721 6.786448\nV O\n16 24\ndirect\n0.685335 0.718049 0.532375 V\n0.283943 0.535883 0.249733 V\n0.969834 0.184268 0.781630 V\n0.469840 0.186669 0.281093 V\n0.219443 0.968756 0.748468 V\n0.314067 0.781561 0.967614 V\n0.779984 0.029271 0.251789 V\n0.030398 0.813731 0.217559 V\n0.313903 0.280156 0.468349 V\n0.716124 0.465481 0.750097 V\n0.529951 0.813918 0.718737 V\n0.684971 0.219847 0.031372 V\n0.497710 0.498385 0.000880 V\n0.999795 0.001925 0.999475 V\n0.500051 0.999013 0.500272 V\n0.002046 0.501039 0.500028 V\n0.184061 0.920309 0.544412 O\n0.466450 0.499980 0.771694 O\n0.208875 0.939666 0.012874 O\n0.806719 0.316003 0.227728 O\n0.195109 0.683864 0.772155 O\n0.818657 0.081371 0.454569 O\n0.446620 0.684392 0.044699 O\n0.000073 0.011515 0.727025 O\n0.297030 0.520844 0.966303 O\n0.816417 0.282344 0.728311 O\n0.022111 0.252899 0.512093 O\n0.743475 0.788561 0.242587 O\n0.517031 0.972093 0.257121 O\n0.486336 0.031167 0.741229 O\n0.536302 0.502504 0.226933 O\n0.700563 0.477888 0.034505 O\n0.997214 0.985106 0.274591 O\n0.791230 0.062759 0.986033 O\n0.580021 0.303368 0.466517 O\n0.419250 0.694081 0.534654 O\n0.979534 0.748884 0.487571 O\n0.183639 0.718554 0.272626 O\n0.253826 0.208375 0.758586 O\n0.552058 0.315518 0.955711 O\n",
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"elements": [
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],
"chemical_system": "O-V",
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"formula_full": "V16 O24",
"formula_reduced": "V2O3",
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"is_stable": null,
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"updated_at": "2021-11-28T01:36:34.174000Z",
"spacegroup": 2
},
{
"id": "mp-862673",
"created_at": "2022-09-04T14:44:13.303063Z",
"structure_string": "Li1 Y2 Ru1\n1.0\n0.000000 3.475661 3.475661\n3.475661 0.000000 3.475661\n3.475661 3.475661 0.000000\nLi Y Ru\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Ru\n",
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"elements": [
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"Ru"
],
"chemical_system": "Li-Ru-Y",
"density": 5.65201865973222,
"density_atomic": 0.047634077991449274,
"volume": 83.97349478913047,
"volume_molar": 12.642505143231755,
"formula_full": "Li1 Y2 Ru1",
"formula_reduced": "LiY2Ru",
"formula_anonymous": "ABC2",
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"total_magnetization": 0.0007621,
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"updated_at": "2021-11-28T01:36:21.734000Z",
"spacegroup": 225
}
]
}