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{
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"results": [
{
"id": "mp-758019",
"created_at": "2022-09-04T14:39:07.277999Z",
"structure_string": "Li4 P8 W4 O28\n1.0\n8.298821 0.000000 0.000000\n0.000000 7.374563 0.000000\n0.000000 3.525058 9.230458\nLi P W O\n4 8 4 28\ndirect\n0.521840 0.701393 0.773187 Li\n0.978160 0.701393 0.273187 Li\n0.021840 0.298607 0.726813 Li\n0.478160 0.298607 0.226813 Li\n0.742823 0.917428 0.958215 P\n0.757177 0.917428 0.458215 P\n0.283653 0.666261 0.549666 P\n0.783653 0.333739 0.950334 P\n0.216347 0.666261 0.049666 P\n0.716347 0.333739 0.450334 P\n0.242823 0.082572 0.541785 P\n0.257177 0.082572 0.041785 P\n0.998759 0.744078 0.748542 W\n0.501241 0.744078 0.248542 W\n0.498759 0.255922 0.751458 W\n0.001241 0.255922 0.251458 W\n0.587362 0.955343 0.866107 O\n0.872270 0.814586 0.906338 O\n0.912638 0.955343 0.366107 O\n0.325028 0.873102 0.566282 O\n0.209129 0.683881 0.891398 O\n0.781518 0.814444 0.620911 O\n0.627730 0.814586 0.406338 O\n0.112216 0.605783 0.608618 O\n0.174972 0.873102 0.066282 O\n0.290871 0.683881 0.391398 O\n0.916669 0.451633 0.849753 O\n0.718482 0.814444 0.120911 O\n0.416669 0.548367 0.650247 O\n0.612216 0.394217 0.891382 O\n0.387784 0.605783 0.108618 O\n0.583331 0.451633 0.349753 O\n0.281518 0.185556 0.879089 O\n0.083331 0.548367 0.150247 O\n0.709129 0.316119 0.608602 O\n0.825028 0.126898 0.933718 O\n0.887784 0.394217 0.391382 O\n0.372270 0.185414 0.593662 O\n0.218482 0.185556 0.379089 O\n0.790871 0.316119 0.108602 O\n0.674972 0.126898 0.433718 O\n0.087362 0.044657 0.633893 O\n0.127730 0.185414 0.093662 O\n0.412638 0.044657 0.133893 O\n",
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"volume_molar": 7.731685210868082,
"formula_full": "Li4 P8 W4 O28",
"formula_reduced": "LiP2WO7",
"formula_anonymous": "ABC2D7",
"energy": -350.53349048,
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"updated_at": "2021-11-28T01:34:24.873000Z",
"spacegroup": 14
},
{
"id": "mp-14973",
"created_at": "2022-09-04T14:39:06.314963Z",
"structure_string": "Ag4 Mo8 P12 O52\n1.0\n6.494780 0.014915 0.000000\n-1.246024 7.134476 0.000000\n0.000000 0.000000 22.736987\nAg Mo P O\n4 8 12 52\ndirect\n0.332252 0.293604 0.131750 Ag\n0.167747 0.206396 0.631750 Ag\n0.667748 0.706398 0.868250 Ag\n0.832252 0.793603 0.368250 Ag\n0.722032 0.274082 0.436574 Mo\n0.722379 0.464214 0.707785 Mo\n0.222379 0.964214 0.792215 Mo\n0.277621 0.535786 0.292215 Mo\n0.222033 0.774082 0.063425 Mo\n0.277967 0.725918 0.563426 Mo\n0.777968 0.225919 0.936575 Mo\n0.777620 0.035786 0.207785 Mo\n0.280879 0.298937 0.901900 P\n0.219121 0.201063 0.401899 P\n0.719120 0.701063 0.098100 P\n0.780880 0.798938 0.598101 P\n0.124368 0.652110 0.916474 P\n0.375632 0.847892 0.416474 P\n0.875632 0.347892 0.083526 P\n0.624369 0.152109 0.583526 P\n0.264229 0.908954 0.203647 P\n0.764228 0.408954 0.296353 P\n0.735772 0.091047 0.796353 P\n0.235773 0.591047 0.703647 P\n0.276970 0.517613 0.887663 O\n0.223031 0.982387 0.387664 O\n0.723030 0.482387 0.112337 O\n0.776969 0.017612 0.612336 O\n0.097339 0.462560 0.079891 O\n0.402660 0.037440 0.579890 O\n0.902661 0.537440 0.920110 O\n0.597340 0.962560 0.420110 O\n0.904106 0.770623 0.057461 O\n0.595893 0.729376 0.557461 O\n0.095894 0.229376 0.942539 O\n0.404107 0.270623 0.442539 O\n0.513766 0.701120 0.065420 O\n0.986233 0.798880 0.565420 O\n0.486234 0.298879 0.934580 O\n0.013767 0.201121 0.434580 O\n0.213018 0.766067 0.153051 O\n0.286982 0.733933 0.653051 O\n0.290344 0.012769 0.059774 O\n0.713019 0.266068 0.346949 O\n0.221366 0.706374 0.976628 O\n0.278636 0.793627 0.476628 O\n0.778635 0.293627 0.023372 O\n0.721365 0.206374 0.523372 O\n0.744452 0.935403 0.276001 O\n0.755548 0.564598 0.776001 O\n0.255549 0.064598 0.723999 O\n0.244452 0.435402 0.223999 O\n0.468865 0.051923 0.190043 O\n0.031135 0.448079 0.690043 O\n0.531136 0.948078 0.809957 O\n0.968866 0.551923 0.309957 O\n0.095283 0.033983 0.209123 O\n0.404718 0.466017 0.709123 O\n0.904718 0.966017 0.790877 O\n0.595282 0.533983 0.290877 O\n0.731056 0.794293 0.158205 O\n0.768945 0.705706 0.658205 O\n0.268945 0.205706 0.841795 O\n0.231055 0.294294 0.341795 O\n0.795628 0.304549 0.239215 O\n0.704373 0.195451 0.739215 O\n0.204373 0.695451 0.760785 O\n0.295627 0.804549 0.260785 O\n0.854372 0.181255 0.124733 O\n0.645628 0.318746 0.624733 O\n0.145627 0.818745 0.875267 O\n0.354373 0.681255 0.375267 O\n0.790344 0.512768 0.440225 O\n0.709656 0.987232 0.940226 O\n0.209657 0.487231 0.559775 O\n0.786982 0.233933 0.846949 O\n",
"nsites": 76,
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"elements": [
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"P",
"O"
],
"chemical_system": "Ag-Mo-O-P",
"density": 3.7853446835114335,
"density_atomic": 0.07210742784498564,
"volume": 1053.9829566987537,
"volume_molar": 8.351623320895895,
"formula_full": "Ag4 Mo8 P12 O52",
"formula_reduced": "AgMo2P3O13",
"formula_anonymous": "AB2C3D13",
"energy": -592.3612252500001,
"energy_per_atom": -7.794226648026317,
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"updated_at": "2021-11-28T01:34:29.665000Z",
"spacegroup": 14
},
{
"id": "mp-1051",
"created_at": "2022-09-04T14:39:08.014195Z",
"structure_string": "Er3 Ni9\n1.0\n8.187004 -2.464951 0.000000\n8.187004 2.464951 0.000000\n7.444854 0.000000 4.204422\nEr Ni\n3 9\ndirect\n0.000000 0.000000 0.000000 Er\n0.861391 0.861391 0.861391 Er\n0.138609 0.138609 0.138609 Er\n0.500000 0.500000 0.500000 Ni\n0.666887 0.666887 0.666887 Ni\n0.333113 0.333113 0.333113 Ni\n0.416940 0.919295 0.416940 Ni\n0.416940 0.416940 0.919295 Ni\n0.919295 0.416940 0.416940 Ni\n0.583060 0.080705 0.583060 Ni\n0.583060 0.583060 0.080705 Ni\n0.080705 0.583060 0.583060 Ni\n",
"nsites": 12,
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"elements": [
"Er",
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],
"chemical_system": "Er-Ni",
"density": 10.079155707139083,
"density_atomic": 0.07071501818764052,
"volume": 169.69521195848813,
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"formula_full": "Er3 Ni9",
"formula_reduced": "ErNi3",
"formula_anonymous": "AB3",
"energy": -70.9618601,
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"updated_at": "2021-11-28T01:34:32.708000Z",
"spacegroup": 166
},
{
"id": "mp-1191105",
"created_at": "2022-09-04T14:39:08.014642Z",
"structure_string": "Re1 Ru2 N10 Cl10\n1.0\n3.991952 6.247857 0.000000\n-3.991952 6.247857 0.000000\n0.000000 2.824132 12.803947\nRe Ru N Cl\n1 2 10 10\ndirect\n0.000000 0.000000 0.500000 Re\n0.407946 0.407946 0.821846 Ru\n0.592054 0.592054 0.178154 Ru\n0.186660 0.327100 0.711901 N\n0.327100 0.186660 0.711901 N\n0.813340 0.672900 0.288099 N\n0.672900 0.813340 0.288099 N\n0.191738 0.538881 0.896551 N\n0.538881 0.191738 0.896551 N\n0.808262 0.461119 0.103449 N\n0.461119 0.808262 0.103449 N\n0.556781 0.556781 0.783053 N\n0.443219 0.443219 0.216947 N\n0.188625 0.188625 0.477873 Cl\n0.811375 0.811375 0.522127 Cl\n0.978448 0.978448 0.681164 Cl\n0.021552 0.021552 0.318836 Cl\n0.291975 0.708025 0.500000 Cl\n0.708025 0.291975 0.500000 Cl\n0.079408 0.079408 0.966383 Cl\n0.920592 0.920592 0.033617 Cl\n0.672785 0.672785 0.815966 Cl\n0.327215 0.327215 0.184034 Cl\n",
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"nelements": 4,
"elements": [
"Re",
"Ru",
"N",
"Cl"
],
"chemical_system": "Cl-N-Re-Ru",
"density": 2.295577726227581,
"density_atomic": 0.03601119896003984,
"volume": 638.6902037202972,
"volume_molar": 16.722966560159588,
"formula_full": "Re1 Ru2 N10 Cl10",
"formula_reduced": "ReRu2(NCl)10",
"formula_anonymous": "AB2C10D10",
"energy": -130.17509702,
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"updated_at": "2021-11-28T01:34:25.594000Z",
"spacegroup": 12
},
{
"id": "mp-1008224",
"created_at": "2022-09-04T14:39:08.010783Z",
"structure_string": "Cr1 Co2 Si1\n1.0\n0.000000 2.817766 2.817766\n2.817766 0.000000 2.817766\n2.817766 2.817766 0.000000\nCr Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.346076125461993,
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"volume": 44.74502645169284,
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"formula_full": "Cr1 Co2 Si1",
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"updated_at": "2021-11-28T01:34:37.047000Z",
"spacegroup": 225
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{
"id": "mp-17165",
"created_at": "2022-09-04T14:39:07.160298Z",
"structure_string": "Cs4 Na2 Cr2 C12 N12\n1.0\n8.028681 0.000000 0.000000\n0.000000 7.697625 0.000000\n0.000000 7.673327 11.117054\nCs Na Cr C N\n4 2 2 12 12\ndirect\n0.555472 0.736465 0.249657 Cs\n0.055472 0.263535 0.250343 Cs\n0.444528 0.263535 0.750343 Cs\n0.944528 0.736465 0.749657 Cs\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.144073 0.240877 0.974863 C\n0.355927 0.240877 0.474863 C\n0.855927 0.759123 0.025137 C\n0.644073 0.759123 0.525137 C\n0.289875 0.826820 0.529656 C\n0.789875 0.173180 0.970344 C\n0.710125 0.173180 0.470344 C\n0.210125 0.826820 0.029656 C\n0.012588 0.125814 0.820446 C\n0.512588 0.874186 0.679554 C\n0.987412 0.874186 0.179554 C\n0.487412 0.125814 0.320446 C\n0.022043 0.199003 0.716926 N\n0.522043 0.800997 0.783074 N\n0.977957 0.800997 0.283074 N\n0.477957 0.199003 0.216926 N\n0.169363 0.725860 0.547654 N\n0.330637 0.725860 0.047654 N\n0.830637 0.274140 0.452346 N\n0.669363 0.274140 0.952346 N\n0.228515 0.378659 0.960144 N\n0.728515 0.621341 0.539856 N\n0.771485 0.621341 0.039856 N\n0.271485 0.378659 0.460144 N\n",
"nsites": 32,
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],
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"density_atomic": 0.046575691386210774,
"volume": 687.0536764479236,
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"formula_full": "Cs4 Na2 Cr2 C12 N12",
"formula_reduced": "Cs2NaCr(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy": -245.02497725,
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"updated_at": "2021-11-28T01:34:39.889000Z",
"spacegroup": 14
},
{
"id": "mp-557668",
"created_at": "2022-09-04T14:39:08.079278Z",
"structure_string": "Mn1 Pt1 F6\n1.0\n4.973630 -2.681816 0.000000\n4.973630 2.681816 0.000000\n3.527576 0.000000 4.414219\nMn Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pt\n0.623386 0.857950 0.260967 F\n0.260967 0.623386 0.857950 F\n0.142050 0.739033 0.376614 F\n0.739033 0.376614 0.142050 F\n0.376614 0.142050 0.739033 F\n0.857950 0.260967 0.623386 F\n",
"nsites": 8,
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"elements": [
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"F"
],
"chemical_system": "F-Mn-Pt",
"density": 5.133091776456328,
"density_atomic": 0.06793657748052696,
"volume": 117.75688880254653,
"volume_molar": 8.864356997857538,
"formula_full": "Mn1 Pt1 F6",
"formula_reduced": "MnPtF6",
"formula_anonymous": "ABC6",
"energy": -44.2986503,
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"updated_at": "2021-11-28T01:34:44.701000Z",
"spacegroup": 148
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{
"id": "mp-1176022",
"created_at": "2022-09-04T14:39:07.232802Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.846254 0.000000 0.000000\n-2.901600 5.159143 0.000000\n-1.534404 -1.282324 9.517892\nLi Mn Co O\n9 2 5 16\ndirect\n0.250733 0.124073 0.747616 Li\n0.007366 0.260723 0.493322 Li\n0.743690 0.367176 0.255856 Li\n0.496815 0.496590 0.004448 Li\n0.251660 0.626237 0.745847 Li\n0.008163 0.758421 0.488259 Li\n0.748618 0.874723 0.251932 Li\n0.489849 0.988302 0.012552 Li\n0.252143 0.880762 0.252556 Li\n0.996841 0.996020 0.003198 Mn\n0.747144 0.620119 0.748283 Mn\n0.506450 0.251263 0.498494 Co\n0.009403 0.506794 0.011014 Co\n0.742684 0.120350 0.746828 Co\n0.505418 0.759317 0.492532 Co\n0.249635 0.375348 0.256672 Co\n0.100259 0.809799 0.875872 O\n0.847626 0.900621 0.629744 O\n0.622863 0.078253 0.387336 O\n0.344104 0.187312 0.118968 O\n0.088125 0.275273 0.876663 O\n0.856026 0.430445 0.632672 O\n0.618501 0.580206 0.376570 O\n0.347803 0.670016 0.117302 O\n0.402551 0.433853 0.626644 O\n0.149868 0.565427 0.377106 O\n0.883174 0.712458 0.111661 O\n0.643954 0.809538 0.869978 O\n0.397148 0.924923 0.626434 O\n0.163795 0.095068 0.381986 O\n0.878273 0.180242 0.115616 O\n0.649315 0.340350 0.866038 O\n",
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],
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"density": 4.182079231246065,
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"volume": 287.07542623094156,
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.41942898,
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"spacegroup": 1
},
{
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}