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{
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"results": [
{
"id": "mp-1185469",
"created_at": "2022-09-04T14:46:12.358068Z",
"structure_string": "Li1 Yb3\n1.0\n-2.625608 2.625608 5.302602\n2.625608 -2.625608 5.302602\n2.625608 2.625608 -5.302602\nLi Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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{
"id": "mp-1026865",
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"structure_string": "Rb1 Mg14 Cu1\n1.0\n6.493061 -0.000000 0.000000\n-3.246531 5.623156 -0.000000\n0.000000 0.000000 10.586478\nRb Mg Cu\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.156679 0.828339 0.125000 Mg\n0.174350 0.837175 0.625000 Mg\n0.671661 0.343321 0.125000 Mg\n0.662825 0.325650 0.625000 Mg\n0.671661 0.828339 0.125000 Mg\n0.662825 0.837175 0.625000 Mg\n0.333626 0.166374 0.346317 Mg\n0.333626 0.166374 0.903683 Mg\n0.333626 0.667252 0.346317 Mg\n0.333626 0.667252 0.903683 Mg\n0.832748 0.166374 0.346317 Mg\n0.832748 0.166374 0.903683 Mg\n0.833333 0.666667 0.381171 Mg\n0.833333 0.666667 0.868829 Mg\n0.166667 0.333333 0.125000 Cu\n",
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"formula_full": "Rb1 Mg14 Cu1",
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{
"id": "mp-1365596",
"created_at": "2022-09-04T14:48:07.846310Z",
"structure_string": "Li5 Co9 P16 O56\n1.0\n9.623318 0.000000 0.000000\n-3.426191 10.147972 0.000000\n-1.457653 -6.034738 10.995123\nLi Co P O\n5 9 16 56\ndirect\n0.826466 0.480692 0.316218 Li\n0.965252 0.406616 0.085981 Li\n0.497315 0.893191 0.575181 Li\n0.970191 0.397722 0.587989 Li\n0.815938 0.496435 0.833469 Li\n0.001191 0.003364 0.997633 Co\n0.614926 0.216973 0.077248 Co\n0.617944 0.223046 0.584290 Co\n0.764042 0.762492 0.682285 Co\n0.245447 0.245806 0.310478 Co\n0.735724 0.741731 0.197935 Co\n0.369821 0.772956 0.418298 Co\n0.378273 0.778844 0.926859 Co\n0.261873 0.263233 0.798795 Co\n0.340403 0.539899 0.868792 P\n0.665156 0.455704 0.626690 P\n0.261371 0.960849 0.272705 P\n0.106255 0.786824 0.661755 P\n0.658366 0.458072 0.130324 P\n0.265249 0.956024 0.771861 P\n0.101429 0.796258 0.158409 P\n0.725544 0.041401 0.731052 P\n0.352778 0.299275 0.015993 P\n0.341000 0.532358 0.369889 P\n0.645392 0.697965 0.484613 P\n0.887970 0.203971 0.842311 P\n0.654614 0.703598 0.978845 P\n0.879383 0.211318 0.350887 P\n0.363498 0.298578 0.514174 P\n0.736304 0.047406 0.229367 P\n0.134004 0.909151 0.721779 O\n0.206518 0.044892 0.845390 O\n0.438873 0.037744 0.661840 O\n0.435843 0.034254 0.166650 O\n0.483173 0.684768 0.290915 O\n0.241341 0.822508 0.354203 O\n0.203541 0.553973 0.464626 O\n0.514176 0.309980 0.209511 O\n0.257714 0.212036 0.468379 O\n0.751685 0.713158 0.848857 O\n0.586475 0.543359 0.065036 O\n0.552512 0.968702 0.838826 O\n0.519986 0.304536 0.706116 O\n0.914118 0.349093 0.263808 O\n0.421684 0.461855 0.439737 O\n0.861569 0.085751 0.778567 O\n0.273429 0.835596 0.057986 O\n0.296297 0.446103 0.295660 O\n0.762518 0.791710 0.027704 O\n0.759150 0.186022 0.148968 O\n0.245702 0.211944 0.966433 O\n0.723486 0.543038 0.199980 O\n0.770913 0.950562 0.657597 O\n0.032856 0.643434 0.753805 O\n0.016345 0.650819 0.249861 O\n0.754539 0.788413 0.527057 O\n0.007871 0.177139 0.890736 O\n0.130533 0.913787 0.222185 O\n0.718211 0.157722 0.950007 O\n0.518243 0.289302 0.984087 O\n0.529963 0.291539 0.485825 O\n0.990321 0.810007 0.609420 O\n0.486861 0.718825 0.514056 O\n0.802661 0.962233 0.153289 O\n0.484981 0.688140 0.786126 O\n0.730077 0.536878 0.696411 O\n0.418221 0.461087 0.935138 O\n0.990711 0.830282 0.103670 O\n0.738643 0.715374 0.349583 O\n0.953870 0.348223 0.752462 O\n0.751434 0.185675 0.653901 O\n0.563094 0.957735 0.333301 O\n0.788220 0.420686 0.528520 O\n0.011263 0.211442 0.389547 O\n0.260470 0.272445 0.650037 O\n0.285559 0.449468 0.799020 O\n0.248661 0.274637 0.148635 O\n0.707681 0.146689 0.466201 O\n0.282360 0.832542 0.559491 O\n0.497293 0.723900 0.004101 O\n0.790085 0.432683 0.031887 O\n0.253970 0.820346 0.846701 O\n0.588080 0.536088 0.562563 O\n0.203968 0.558894 0.966587 O\n0.859357 0.092415 0.287497 O\n0.210898 0.054592 0.341206 O\n",
"nsites": 86,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.025924809989476,
"density_atomic": 0.08009294478947583,
"volume": 1073.7525037448786,
"volume_molar": 7.518940370876844,
"formula_full": "Li5 Co9 P16 O56",
"formula_reduced": "Li5Co9(P2O7)8",
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"updated_at": "2021-11-28T01:38:23.459000Z",
"spacegroup": 1
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{
"id": "mp-1097116",
"created_at": "2022-09-04T14:45:21.379872Z",
"structure_string": "Ca2 Zn1 Pd1\n1.0\n-5.791362 6.046307 8.538105\n5.791362 -6.046307 8.538105\n5.791362 6.046307 -8.538105\nCa Zn Pd\n2 1 1\ndirect\n0.000000 0.275624 0.275624 Ca\n0.000000 0.724376 0.724376 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"formula_full": "Ca2 Zn1 Pd1",
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"updated_at": "2021-11-28T01:37:03.145000Z",
"spacegroup": 71
},
{
"id": "mp-1094287",
"created_at": "2022-09-04T14:43:16.762357Z",
"structure_string": "Sr1 Mg5\n1.0\n1.753489 -8.954265 0.000000\n1.753489 8.954265 0.000000\n0.000000 0.000000 5.315714\nSr Mg\n1 5\ndirect\n0.779125 0.220875 0.000000 Sr\n0.997821 0.002179 0.500000 Mg\n0.355315 0.644685 0.500000 Mg\n0.646170 0.353830 0.500000 Mg\n0.099902 0.900098 0.000000 Mg\n0.455001 0.544999 0.000000 Mg\n",
"nsites": 6,
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{
"id": "mp-975397",
"created_at": "2022-09-04T14:44:56.511393Z",
"structure_string": "Rb1 Ba3\n1.0\n0.000000 5.181155 5.181155\n5.181155 0.000000 5.181155\n5.181155 5.181155 0.000000\nRb Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n",
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{
"id": "mp-1028239",
"created_at": "2022-09-04T14:42:06.851547Z",
"structure_string": "Rb1 Mg14 Al1\n1.0\n6.495254 0.000000 0.000000\n-3.247627 5.625054 0.000000\n0.000000 0.000000 10.727780\nRb Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.161170 0.830584 0.125000 Mg\n0.174634 0.837316 0.625000 Mg\n0.669416 0.338830 0.125000 Mg\n0.662684 0.325366 0.625000 Mg\n0.669416 0.830584 0.125000 Mg\n0.662684 0.837316 0.625000 Mg\n0.335810 0.164190 0.356454 Mg\n0.335810 0.164190 0.893546 Mg\n0.335810 0.671621 0.356454 Mg\n0.335810 0.671621 0.893546 Mg\n0.828379 0.164190 0.356454 Mg\n0.828379 0.164190 0.893546 Mg\n0.833333 0.666667 0.382087 Mg\n0.833333 0.666667 0.867913 Mg\n0.166667 0.333333 0.125000 Al\n",
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{
"id": "mp-1186774",
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"formula_full": "Sr1 Yb3",
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{
"id": "mp-1026624",
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"structure_string": "Rb1 Mg14 B1\n1.0\n6.392240 0.000000 0.000000\n-3.196120 5.535842 -0.000000\n0.000000 0.000000 10.687990\nRb Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Rb\n0.174402 0.837200 0.125000 Mg\n0.156085 0.828042 0.625000 Mg\n0.662800 0.325598 0.125000 Mg\n0.671958 0.343915 0.625000 Mg\n0.662800 0.837200 0.125000 Mg\n0.671958 0.828042 0.625000 Mg\n0.330060 0.169940 0.405706 Mg\n0.330060 0.169940 0.844294 Mg\n0.330060 0.660120 0.405706 Mg\n0.330060 0.660120 0.844294 Mg\n0.839880 0.169940 0.405706 Mg\n0.839880 0.169940 0.844294 Mg\n0.833333 0.666667 0.365758 Mg\n0.833333 0.666667 0.884242 Mg\n0.166667 0.333333 0.625000 B\n",
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"formula_full": "Rb1 Mg14 B1",
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{
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"nsites": 4,
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"formula_full": "Na1 Cd2 In1",
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{
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"structure_string": "Hg4 Pt1\n1.0\n-3.193207 3.193207 3.193207\n3.193207 -3.193207 3.193207\n3.193207 3.193207 -3.193207\nHg Pt\n4 1\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "mp-1097672",
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"structure_string": "Cs2 Hg1 Te1\n1.0\n-6.813197 7.486997 9.517215\n6.813197 -7.486997 9.517215\n6.813197 7.486997 -9.517215\nCs Hg Te\n2 1 1\ndirect\n0.220527 0.000000 0.220527 Cs\n0.779473 0.000000 0.779473 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
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"chemical_system": "Cs-Hg-Te",
"density": 0.5079345161821781,
"density_atomic": 0.0020598306398527393,
"volume": 1941.9072241230313,
"volume_molar": 292.3609661632441,
"formula_full": "Cs2 Hg1 Te1",
"formula_reduced": "Cs2HgTe",
"formula_anonymous": "ABC2",
"energy": -6.20736386,
"energy_per_atom": -1.551840965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.78536386,
"band_gap": 0.9072999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.118000Z",
"spacegroup": 71
}
]
}