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{
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{
"id": "mp-19238",
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"structure_string": "Co4 Pt12 O24\n1.0\n-6.479422 0.000000 0.000000\n-3.239711 -5.808053 8.176135\n0.000000 5.818881 4.133533\nCo Pt O\n4 12 24\ndirect\n0.500000 0.000000 0.500000 Co\n0.250000 0.500000 0.000000 Co\n0.750000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.750000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.250000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.375000 0.750000 0.750000 Pt\n0.125000 0.250000 0.250000 Pt\n0.875000 0.750000 0.750000 Pt\n0.625000 0.250000 0.250000 Pt\n0.625000 0.250000 0.750000 Pt\n0.375000 0.750000 0.250000 Pt\n0.125000 0.250000 0.750000 Pt\n0.875000 0.750000 0.250000 Pt\n0.426864 0.646271 0.000000 O\n0.176864 0.146271 0.500000 O\n0.926864 0.646271 0.000000 O\n0.676864 0.146271 0.500000 O\n0.573136 0.353729 0.000000 O\n0.323136 0.853729 0.500000 O\n0.073136 0.353729 0.000000 O\n0.823136 0.853729 0.500000 O\n0.686543 0.626914 0.714219 O\n0.436543 0.126914 0.214219 O\n0.186543 0.626914 0.714219 O\n0.936543 0.126914 0.214219 O\n0.813457 0.373086 0.285781 O\n0.563457 0.873086 0.785781 O\n0.313457 0.373086 0.285781 O\n0.063457 0.873086 0.785781 O\n0.813457 0.373086 0.714220 O\n0.563457 0.873086 0.214220 O\n0.313457 0.373086 0.714220 O\n0.063457 0.873086 0.214220 O\n0.686543 0.626914 0.285780 O\n0.436543 0.126914 0.785780 O\n0.186543 0.626914 0.285780 O\n0.936543 0.126914 0.785780 O\n",
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"spacegroup": 65
},
{
"id": "mp-19210",
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"structure_string": "Co4 Pt4 O8\n1.0\n1.480570 -2.474566 0.003360\n6.974091 2.495069 4.316034\n-1.292742 -2.465839 6.933891\nCo Pt O\n4 4 8\ndirect\n0.250739 0.120918 0.375636 Co\n0.749268 0.379086 0.124359 Co\n0.248545 0.628727 0.873179 Co\n0.751443 0.871256 0.626838 Co\n0.000345 0.997623 0.998994 Pt\n0.499986 0.249998 0.749985 Pt\n0.999677 0.502409 0.500992 Pt\n0.500002 0.749981 0.250015 Pt\n0.666374 0.105714 0.563814 O\n0.163989 0.366630 0.311445 O\n0.664227 0.620637 0.048488 O\n0.168478 0.859446 0.802834 O\n0.836051 0.133432 0.188521 O\n0.333604 0.394268 0.936174 O\n0.831505 0.640546 0.697192 O\n0.335767 0.879329 0.451534 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Co-O-Pt",
"density": 10.868468982471718,
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"formula_full": "Co4 Pt4 O8",
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"updated_at": "2021-11-28T01:37:07.445000Z",
"spacegroup": 166
},
{
"id": "mp-1277413",
"created_at": "2022-09-04T14:42:46.602297Z",
"structure_string": "Co4 Pt4 O8\n1.0\n1.495074 -2.499028 0.009371\n4.370871 2.529350 24.091068\n-2.846212 -0.011626 0.656399\nCo Pt O\n4 4 8\ndirect\n0.372955 0.875203 0.746801 Co\n0.628536 0.124868 0.253555 Co\n0.876183 0.375030 0.753055 Co\n0.120780 0.624908 0.244931 Co\n0.012225 0.000031 0.011626 Pt\n0.252820 0.249940 0.503891 Pt\n0.499331 0.500033 0.999383 Pt\n0.736627 0.749989 0.486220 Pt\n0.768085 0.669040 0.540998 O\n0.036220 0.919334 0.058231 O\n0.277334 0.168992 0.550958 O\n0.524097 0.419212 0.048717 O\n0.981063 0.080807 0.957807 O\n0.228455 0.330838 0.457174 O\n0.473925 0.580828 0.949681 O\n0.711366 0.830948 0.436970 O\n",
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"elements": [
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"formula_full": "Co4 Pt4 O8",
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"updated_at": "2021-11-28T01:35:57.898000Z",
"spacegroup": 166
},
{
"id": "mp-1283971",
"created_at": "2022-09-04T14:45:06.643992Z",
"structure_string": "Co4 Pt4 O8\n1.0\n0.152333 -4.972653 0.643216\n5.767114 0.000178 -1.367391\n-1.532217 2.530445 6.383923\nCo Pt O\n4 4 8\ndirect\n0.500059 0.244981 0.500096 Co\n0.000368 0.504057 0.499704 Co\n0.499861 0.746310 0.500199 Co\n0.999772 0.005706 0.500001 Co\n0.002658 0.998980 0.999823 Pt\n0.502070 0.250344 0.999688 Pt\n0.996929 0.499054 0.999928 Pt\n0.498361 0.750603 0.000281 Pt\n0.887920 0.344964 0.676260 O\n0.387324 0.585641 0.677862 O\n0.890988 0.838356 0.676333 O\n0.389043 0.085522 0.678138 O\n0.111872 0.168253 0.323648 O\n0.613097 0.407606 0.322143 O\n0.108898 0.662176 0.323617 O\n0.610780 0.907447 0.322279 O\n",
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"elements": [
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"chemical_system": "Co-O-Pt",
"density": 10.40550060905042,
"density_atomic": 0.08763620281812909,
"volume": 182.5729491407188,
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"formula_full": "Co4 Pt4 O8",
"formula_reduced": "CoPtO2",
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"energy": -108.037861,
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"updated_at": "2021-11-28T01:36:53.673000Z",
"spacegroup": 13
},
{
"id": "mp-1245931",
"created_at": "2022-09-04T14:47:37.267821Z",
"structure_string": "Co2 Pt2 N4\n1.0\n2.788705 0.000000 0.000000\n-1.394353 2.407389 0.000000\n0.000000 0.000000 12.203437\nCo Pt N\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.665168 0.330336 0.250000 Pt\n0.334832 0.669664 0.750000 Pt\n0.665417 0.330835 0.413044 N\n0.334583 0.669165 0.586956 N\n0.334583 0.669165 0.913044 N\n0.665417 0.330835 0.086956 N\n",
"nsites": 8,
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"elements": [
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],
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"density": 11.432581503533465,
"density_atomic": 0.09764701604553729,
"volume": 81.92774673492565,
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"formula_full": "Co2 Pt2 N4",
"formula_reduced": "CoPtN2",
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"energy": -57.91255365,
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"spacegroup": 194
},
{
"id": "mp-556492",
"created_at": "2022-09-04T14:46:29.610595Z",
"structure_string": "Co1 Pt1 F6\n1.0\n4.828919 -2.596172 0.000000\n4.828919 2.596172 0.000000\n3.433140 0.000000 4.274590\nCo Pt F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Pt\n0.246825 0.621194 0.886801 F\n0.621194 0.886801 0.246825 F\n0.378806 0.113199 0.753175 F\n0.753175 0.378806 0.113199 F\n0.886801 0.246825 0.621194 F\n0.113199 0.753175 0.378806 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
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"density": 5.70161723393728,
"density_atomic": 0.07464180680917643,
"volume": 107.17854165095699,
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"formula_full": "Co1 Pt1 F6",
"formula_reduced": "CoPtF6",
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"updated_at": "2021-11-28T01:37:41.614000Z",
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{
"id": "mp-1214966",
"created_at": "2022-09-04T14:39:44.826544Z",
"structure_string": "Co4 Pt4 Br16 N20 Cl4\n1.0\n9.286288 0.000000 0.000000\n0.000000 9.322960 0.000000\n0.000000 0.000000 18.322744\nCo Pt Br N Cl\n4 4 16 20 4\ndirect\n0.682258 0.750000 0.699518 Co\n0.317742 0.250000 0.300482 Co\n0.182258 0.250000 0.800482 Co\n0.817742 0.750000 0.199518 Co\n0.052563 0.750000 0.706368 Pt\n0.947437 0.250000 0.293632 Pt\n0.552563 0.250000 0.793632 Pt\n0.447437 0.750000 0.206368 Pt\n0.184910 0.750000 0.566286 Br\n0.815090 0.250000 0.433714 Br\n0.684910 0.250000 0.933714 Br\n0.315090 0.750000 0.066286 Br\n0.583064 0.520369 0.802957 Br\n0.416936 0.479631 0.197043 Br\n0.083064 0.479631 0.697043 Br\n0.416936 0.020369 0.197043 Br\n0.916936 0.520369 0.302957 Br\n0.583064 0.979631 0.802957 Br\n0.916936 0.979631 0.302957 Br\n0.083064 0.020369 0.697043 Br\n0.257913 0.750000 0.788167 Br\n0.742087 0.250000 0.211833 Br\n0.757913 0.250000 0.711833 Br\n0.242087 0.750000 0.288167 Br\n0.587377 0.591668 0.705943 N\n0.412623 0.408332 0.294057 N\n0.087377 0.408332 0.794057 N\n0.412623 0.091668 0.294057 N\n0.912623 0.591668 0.205943 N\n0.587377 0.908332 0.705943 N\n0.912623 0.908332 0.205943 N\n0.087377 0.091668 0.794057 N\n0.755325 0.690248 0.502848 N\n0.244675 0.309752 0.497152 N\n0.255325 0.309752 0.997152 N\n0.244675 0.190248 0.497152 N\n0.744675 0.690248 0.002848 N\n0.755325 0.809752 0.502848 N\n0.744675 0.809752 0.002848 N\n0.255325 0.190248 0.997152 N\n0.856280 0.750000 0.686537 N\n0.143720 0.250000 0.313463 N\n0.356280 0.250000 0.813463 N\n0.643720 0.750000 0.186537 N\n0.154596 0.750000 0.974447 Cl\n0.845404 0.250000 0.025553 Cl\n0.654596 0.250000 0.525553 Cl\n0.345404 0.750000 0.474447 Cl\n",
"nsites": 48,
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"formula_full": "Co4 Pt4 Br16 N20 Cl4",
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{
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"formula_full": "Co1 Pt3",
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{
"id": "mp-1226089",
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"structure_string": "Co1 Pt3\n1.0\n9.046161 -1.378297 0.000000\n9.046161 1.378297 0.000000\n8.836160 0.000000 2.378026\nCo Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.256048 0.256048 0.256048 Pt\n0.500000 0.500000 0.500000 Pt\n0.743952 0.743952 0.743952 Pt\n",
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{
"id": "mp-1245822",
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"structure_string": "Co4 Pt8\n1.0\n5.812757 -0.002045 -0.002139\n-0.002044 5.812391 0.000294\n-0.002138 0.000293 5.812063\nCo Pt\n4 8\ndirect\n0.999999 0.500001 0.500000 Co\n0.500001 0.499999 0.999998 Co\n0.500000 0.999999 0.500001 Co\n0.000001 0.000001 0.000000 Co\n0.370646 0.130942 0.869745 Pt\n0.130878 0.869779 0.370690 Pt\n0.869739 0.370550 0.130986 Pt\n0.630437 0.630475 0.630516 Pt\n0.369564 0.369526 0.369485 Pt\n0.130260 0.629450 0.869014 Pt\n0.869122 0.130221 0.629310 Pt\n0.629354 0.869059 0.130254 Pt\n",
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{
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{
"id": "mp-1225998",
"created_at": "2022-09-04T14:40:57.195665Z",
"structure_string": "Co1 Pt1\n1.0\n4.365754 -1.355758 0.000000\n4.365754 1.355758 0.000000\n3.944731 0.000000 2.310190\nCo Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Pt"
],
"chemical_system": "Co-Pt",
"density": 15.423860257789181,
"density_atomic": 0.07313257479839133,
"volume": 27.34759449552422,
"volume_molar": 8.234553174972401,
"formula_full": "Co1 Pt1",
"formula_reduced": "CoPt",
"formula_anonymous": "AB",
"energy": -13.23343814,
"energy_per_atom": -6.61671907,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.23343814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1079216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.032000Z",
"spacegroup": 166
}
]
}