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"results": [
{
"id": "mp-1245188",
"created_at": "2022-09-04T14:45:59.259644Z",
"structure_string": "Ga50 N50\n1.0\n11.740337 -0.784177 -0.314302\n-0.783745 11.023232 -0.239666\n-0.315323 -0.252956 12.048794\nGa N\n50 50\ndirect\n0.080376 0.091106 0.457547 Ga\n0.065313 0.590613 0.296333 Ga\n0.752981 0.877565 0.077910 Ga\n0.072716 0.850005 0.790045 Ga\n0.193248 0.194405 0.199138 Ga\n0.463102 0.957139 0.792694 Ga\n0.524837 0.685274 0.675116 Ga\n0.965537 0.256910 0.303042 Ga\n0.290793 0.059375 0.513289 Ga\n0.545808 0.984516 0.255326 Ga\n0.130872 0.793191 0.475417 Ga\n0.296249 0.966588 0.066568 Ga\n0.484170 0.217933 0.178791 Ga\n0.750089 0.390569 0.169597 Ga\n0.101752 0.438829 0.476972 Ga\n0.576481 0.051389 0.996340 Ga\n0.071220 0.046263 0.676863 Ga\n0.338409 0.603639 0.867505 Ga\n0.926231 0.855260 0.600683 Ga\n0.164849 0.530842 0.126644 Ga\n0.773273 0.054016 0.457571 Ga\n0.539805 0.184691 0.776571 Ga\n0.933297 0.584551 0.470844 Ga\n0.825344 0.186491 0.984378 Ga\n0.409708 0.172197 0.373930 Ga\n0.301314 0.833416 0.884814 Ga\n0.868821 0.675679 0.070868 Ga\n0.308526 0.445756 0.274815 Ga\n0.534048 0.802303 0.104980 Ga\n0.754244 0.103797 0.240248 Ga\n0.891285 0.446084 0.669746 Ga\n0.938545 0.194212 0.580604 Ga\n0.503268 0.940376 0.539007 Ga\n0.714871 0.595939 0.634389 Ga\n0.233009 0.881306 0.253088 Ga\n0.160444 0.580997 0.728151 Ga\n0.552154 0.447454 0.767685 Ga\n0.703406 0.898490 0.685795 Ga\n0.865894 0.728103 0.818066 Ga\n0.954439 0.830046 0.322685 Ga\n0.740775 0.330762 0.447176 Ga\n0.985928 0.372107 0.074071 Ga\n0.001230 0.988060 0.149958 Ga\n0.687084 0.208187 0.624645 Ga\n0.598315 0.744349 0.906299 Ga\n0.292774 0.814755 0.614003 Ga\n0.318814 0.726245 0.105559 Ga\n0.429551 0.722784 0.392073 Ga\n0.619190 0.292921 0.954541 Ga\n0.763257 0.469775 0.912293 Ga\n0.576052 0.408845 0.397152 N\n0.307351 0.155319 0.854778 N\n0.341868 0.973206 0.364539 N\n0.663700 0.007057 0.573461 N\n0.957275 0.762475 0.473068 N\n0.797166 0.769758 0.669755 N\n0.849545 0.273393 0.676723 N\n0.440974 0.761347 0.560325 N\n0.923983 0.073828 0.265073 N\n0.407851 0.371904 0.004273 N\n0.605481 0.313580 0.111761 N\n0.493823 0.600959 0.821122 N\n0.302239 0.517979 0.509094 N\n0.798908 0.495998 0.530759 N\n0.221437 0.297322 0.661721 N\n0.832461 0.015855 0.770024 N\n0.077049 0.296005 0.194365 N\n0.657164 0.763527 0.392167 N\n0.376410 0.982770 0.626511 N\n0.773442 0.749697 0.951449 N\n0.011323 0.657850 0.962282 N\n0.075033 0.590044 0.944310 N\n0.289322 0.147211 0.944962 N\n0.110053 0.779971 0.315575 N\n0.624618 0.549245 0.213394 N\n0.199362 0.763481 0.745612 N\n0.042679 0.516548 0.614894 N\n0.457100 0.047123 0.114135 N\n0.535693 0.576141 0.202039 N\n0.042852 0.348349 0.865518 N\n0.727567 0.718174 0.355698 N\n0.031826 0.262307 0.456231 N\n0.950493 0.003248 0.359905 N\n0.343187 0.529118 0.597485 N\n0.169003 0.018935 0.166457 N\n0.896844 0.828100 0.161729 N\n0.377991 0.464715 0.007208 N\n0.126284 0.311067 0.859210 N\n0.990939 0.067550 0.994560 N\n0.838663 0.500636 0.070957 N\n0.804133 0.298176 0.290256 N\n0.508413 0.459151 0.434701 N\n0.450816 0.926739 0.379105 N\n0.312428 0.282880 0.649031 N\n0.885821 0.100852 0.813545 N\n0.741035 0.054742 0.073044 N\n0.579919 0.841316 0.771390 N\n0.060060 0.060576 0.930470 N\n0.344254 0.274254 0.239286 N\n0.823927 0.548564 0.782063 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.485100446632446,
"density_atomic": 0.06451690671695587,
"volume": 1549.98131635035,
"volume_molar": 9.334205662431897,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -565.34001997,
"energy_per_atom": -5.653400199699999,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -547.29001997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.212000Z",
"spacegroup": 1
},
{
"id": "mp-1198522",
"created_at": "2022-09-04T14:45:59.261546Z",
"structure_string": "K4 Mg2 Se4 O28\n1.0\n-5.948481 0.000000 1.391906\n-0.033789 0.000000 -8.529277\n0.000000 -12.049481 0.000000\nK Mg Se O\n4 2 4 28\ndirect\n0.840009 0.139797 0.658015 K\n0.159991 0.360203 0.158015 K\n0.159991 0.860203 0.341985 K\n0.840009 0.639797 0.841985 K\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.249750 0.906631 0.649814 Se\n0.750250 0.593369 0.149814 Se\n0.750250 0.093369 0.350186 Se\n0.249750 0.406631 0.850186 Se\n0.496837 0.866052 0.691740 O\n0.503163 0.633948 0.191740 O\n0.503163 0.133948 0.308260 O\n0.496837 0.366052 0.808260 O\n0.108663 0.756948 0.564580 O\n0.891337 0.743052 0.064580 O\n0.891337 0.243052 0.435420 O\n0.108663 0.256948 0.935420 O\n0.083470 0.923643 0.756296 O\n0.916530 0.576357 0.256296 O\n0.916530 0.076357 0.243704 O\n0.083470 0.423643 0.743704 O\n0.292969 0.069993 0.568697 O\n0.707031 0.430007 0.068697 O\n0.707031 0.930007 0.431303 O\n0.292969 0.569993 0.931303 O\n0.331693 0.362745 0.375670 O\n0.668307 0.137255 0.875670 O\n0.668307 0.637255 0.624330 O\n0.331693 0.862745 0.124330 O\n0.551751 0.346333 0.626385 O\n0.448249 0.153667 0.126385 O\n0.448249 0.653667 0.373615 O\n0.551751 0.846333 0.873615 O\n0.155662 0.519251 0.536742 O\n0.844338 0.980749 0.036742 O\n0.844338 0.480749 0.463258 O\n0.155662 0.019251 0.963258 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"K",
"Mg",
"Se",
"O"
],
"chemical_system": "K-Mg-O-Se",
"density": 2.6290934941694606,
"density_atomic": 0.06210042395059502,
"volume": 611.9120866265181,
"volume_molar": 9.69742294318475,
"formula_full": "K4 Mg2 Se4 O28",
"formula_reduced": "K2Mg(SeO7)2",
"formula_anonymous": "AB2C2D14",
"energy": -184.60025808,
"energy_per_atom": -4.857901528421053,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0124999999999999,
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"updated_at": "2021-11-28T01:37:17.639000Z",
"spacegroup": 14
},
{
"id": "mp-1043285",
"created_at": "2022-09-04T14:45:59.231023Z",
"structure_string": "Zn2 Cr4 O10\n1.0\n3.670643 0.000000 0.000000\n-1.835321 5.055008 0.000000\n0.000000 0.000000 11.397688\nZn Cr O\n2 4 10\ndirect\n0.902628 0.805254 0.750000 Zn\n0.097373 0.194747 0.250000 Zn\n0.208376 0.416752 0.596839 Cr\n0.791625 0.583249 0.403160 Cr\n0.791625 0.583249 0.096840 Cr\n0.208376 0.416752 0.903161 Cr\n0.700110 0.400219 0.250000 O\n0.299891 0.599782 0.750000 O\n0.234208 0.468416 0.075103 O\n0.765794 0.531585 0.924897 O\n0.765794 0.531585 0.575103 O\n0.234208 0.468416 0.424896 O\n0.043765 0.087530 0.630353 O\n0.956235 0.912469 0.369647 O\n0.043765 0.087530 0.869647 O\n0.956235 0.912469 0.130354 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 3.916441539795793,
"density_atomic": 0.07565527654686201,
"volume": 211.4855794637055,
"volume_molar": 7.959974551503749,
"formula_full": "Zn2 Cr4 O10",
"formula_reduced": "ZnCr2O5",
"formula_anonymous": "AB2C5",
"energy": -119.1942441,
"energy_per_atom": -7.44964025625,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:20.246000Z",
"spacegroup": 63
},
{
"id": "mp-1204813",
"created_at": "2022-09-04T14:45:59.256795Z",
"structure_string": "Dy4 Co20 P12\n1.0\n3.643878 0.000000 0.000000\n0.000000 10.256772 0.000000\n0.000000 0.000000 11.718733\nDy Co P\n4 20 12\ndirect\n0.250000 0.583078 0.703506 Dy\n0.250000 0.916922 0.203506 Dy\n0.750000 0.416922 0.296494 Dy\n0.750000 0.083078 0.796494 Dy\n0.250000 0.715197 0.989298 Co\n0.250000 0.784803 0.489298 Co\n0.750000 0.284803 0.010702 Co\n0.750000 0.215197 0.510702 Co\n0.250000 0.406534 0.487834 Co\n0.250000 0.093466 0.987834 Co\n0.750000 0.593466 0.512166 Co\n0.750000 0.906534 0.012166 Co\n0.250000 0.220461 0.176058 Co\n0.250000 0.279539 0.676058 Co\n0.750000 0.779539 0.823942 Co\n0.750000 0.720461 0.323942 Co\n0.250000 0.882383 0.697849 Co\n0.250000 0.617617 0.197849 Co\n0.750000 0.117617 0.302151 Co\n0.750000 0.382383 0.802151 Co\n0.250000 0.466861 0.932331 Co\n0.250000 0.033139 0.432331 Co\n0.750000 0.533139 0.067669 Co\n0.750000 0.966861 0.567669 Co\n0.250000 0.418442 0.112262 P\n0.250000 0.081558 0.612262 P\n0.750000 0.581558 0.887738 P\n0.750000 0.918442 0.387738 P\n0.250000 0.270716 0.869471 P\n0.250000 0.229284 0.369471 P\n0.750000 0.729284 0.130529 P\n0.750000 0.770716 0.630529 P\n0.250000 0.601385 0.391209 P\n0.250000 0.898615 0.891209 P\n0.750000 0.398615 0.608791 P\n0.750000 0.101385 0.108791 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Dy",
"Co",
"P"
],
"chemical_system": "Co-Dy-P",
"density": 8.342293926493715,
"density_atomic": 0.08219536186205123,
"volume": 437.9809174685419,
"volume_molar": 7.32661870885973,
"formula_full": "Dy4 Co20 P12",
"formula_reduced": "DyCo5P3",
"formula_anonymous": "AB3C5",
"energy": -255.92684466,
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"energy_uncorrected": -255.92684466,
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"spacegroup": 62
},
{
"id": "mp-1044343",
"created_at": "2022-09-04T14:45:59.300184Z",
"structure_string": "Ti2 P6 W2 O24\n1.0\n8.851517 -0.072389 -0.050482\n4.612830 7.554891 -0.050482\n4.612830 2.563475 7.106866\nTi P W O\n2 6 2 24\ndirect\n0.139508 0.139508 0.139508 Ti\n0.639508 0.639508 0.639508 Ti\n0.031971 0.463617 0.751414 P\n0.463617 0.751414 0.031971 P\n0.751414 0.031971 0.463617 P\n0.251414 0.963617 0.531971 P\n0.531971 0.251414 0.963617 P\n0.963617 0.531971 0.251414 P\n0.358392 0.358392 0.358392 W\n0.858392 0.858392 0.858392 W\n0.133191 0.509740 0.281653 O\n0.281653 0.133191 0.509740 O\n0.062105 0.287028 0.921420 O\n0.509740 0.281653 0.133191 O\n0.009740 0.633191 0.781653 O\n0.213268 0.440821 0.579097 O\n0.287028 0.921420 0.062105 O\n0.440821 0.579097 0.213268 O\n0.214093 0.000552 0.363873 O\n0.579097 0.213268 0.440821 O\n0.079097 0.940821 0.713268 O\n0.363873 0.214093 0.000552 O\n0.633191 0.781653 0.009740 O\n0.921420 0.062105 0.287028 O\n0.421420 0.787028 0.562105 O\n0.781653 0.009740 0.633191 O\n0.562105 0.421420 0.787028 O\n0.713268 0.079097 0.940821 O\n0.787028 0.562105 0.421420 O\n0.000552 0.363873 0.214093 O\n0.500552 0.714093 0.863873 O\n0.940821 0.713268 0.079097 O\n0.714093 0.863873 0.500552 O\n0.863873 0.500552 0.714093 O\n",
"nsites": 34,
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"elements": [
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"P",
"W",
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],
"chemical_system": "O-P-Ti-W",
"density": 3.57482968936054,
"density_atomic": 0.07084073394296772,
"volume": 479.9498552255632,
"volume_molar": 8.500957605617538,
"formula_full": "Ti2 P6 W2 O24",
"formula_reduced": "TiP3WO12",
"formula_anonymous": "ABC3D12",
"energy": -286.94498959,
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"updated_at": "2021-11-28T01:37:18.102000Z",
"spacegroup": 161
},
{
"id": "mp-28391",
"created_at": "2022-09-04T14:45:59.313254Z",
"structure_string": "Si4 Cl16\n1.0\n6.855950 0.000000 0.000000\n0.000000 10.399118 0.000000\n0.000000 2.339325 10.222410\nSi Cl\n4 16\ndirect\n0.928323 0.249681 0.643089 Si\n0.428323 0.750319 0.856911 Si\n0.071677 0.750319 0.356911 Si\n0.571677 0.249681 0.143089 Si\n0.069059 0.402109 0.695921 Cl\n0.569059 0.597891 0.804079 Cl\n0.930941 0.597891 0.304079 Cl\n0.430941 0.402109 0.195921 Cl\n0.930851 0.089858 0.795673 Cl\n0.430851 0.910142 0.704327 Cl\n0.069149 0.910142 0.204327 Cl\n0.569149 0.089858 0.295673 Cl\n0.066039 0.204227 0.487043 Cl\n0.566039 0.795773 0.012957 Cl\n0.933961 0.795773 0.512957 Cl\n0.433961 0.204227 0.987043 Cl\n0.647832 0.302865 0.593974 Cl\n0.147832 0.697135 0.906026 Cl\n0.352168 0.697135 0.406026 Cl\n0.852168 0.302865 0.093974 Cl\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cl-Si",
"density": 1.5483838528167433,
"density_atomic": 0.027441797305422178,
"volume": 728.8152367501175,
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"formula_full": "Si4 Cl16",
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"energy": -86.11840657,
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{
"id": "mp-29573",
"created_at": "2022-09-04T14:45:59.315647Z",
"structure_string": "Sb16 S20 Cl8\n1.0\n9.565204 0.000000 0.000000\n0.000000 11.207186 0.000000\n0.000000 0.000000 12.059580\nSb S Cl\n16 20 8\ndirect\n0.750000 0.955311 0.995471 Sb\n0.250000 0.044689 0.004529 Sb\n0.750000 0.455311 0.504529 Sb\n0.250000 0.544689 0.495471 Sb\n0.250000 0.939980 0.454991 Sb\n0.750000 0.060020 0.545009 Sb\n0.250000 0.439980 0.045009 Sb\n0.750000 0.560020 0.954991 Sb\n0.531552 0.221545 0.157696 Sb\n0.031552 0.778455 0.842304 Sb\n0.968448 0.721545 0.342304 Sb\n0.468448 0.278455 0.657696 Sb\n0.468448 0.778455 0.842304 Sb\n0.968448 0.221545 0.157696 Sb\n0.031552 0.278455 0.657696 Sb\n0.531552 0.721545 0.342304 Sb\n0.941958 0.984394 0.856043 S\n0.553642 0.189004 0.482578 S\n0.446358 0.310996 0.982578 S\n0.946358 0.689004 0.017422 S\n0.441958 0.015606 0.143957 S\n0.053642 0.810996 0.517422 S\n0.058042 0.515606 0.356043 S\n0.558042 0.484394 0.643957 S\n0.250000 0.821520 0.969579 S\n0.750000 0.178480 0.030421 S\n0.250000 0.321520 0.530421 S\n0.750000 0.678480 0.469579 S\n0.946358 0.189004 0.482578 S\n0.446358 0.810996 0.517422 S\n0.553642 0.689004 0.017422 S\n0.053642 0.310996 0.982578 S\n0.441958 0.515606 0.356043 S\n0.941958 0.484394 0.643957 S\n0.058042 0.015606 0.143957 S\n0.558042 0.984394 0.856043 S\n0.750000 0.984227 0.345749 Cl\n0.250000 0.015773 0.654251 Cl\n0.250000 0.785790 0.271122 Cl\n0.250000 0.515773 0.845749 Cl\n0.750000 0.714210 0.771122 Cl\n0.250000 0.285790 0.228878 Cl\n0.750000 0.214210 0.728878 Cl\n0.750000 0.484227 0.154251 Cl\n",
"nsites": 44,
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"volume": 1292.7751619041353,
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"formula_full": "Sb16 S20 Cl8",
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"formula_anonymous": "A2B4C5",
"energy": -195.86718763,
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{
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"structure_string": "Li4 Mn2 Co2 O8\n1.0\n2.983773 0.000000 0.000000\n0.178676 5.166509 0.000000\n0.801339 1.829722 9.710880\nLi Mn Co O\n4 2 2 8\ndirect\n0.753077 0.875716 0.127163 Li\n0.252190 0.626958 0.375645 Li\n0.747810 0.373042 0.624355 Li\n0.246923 0.124284 0.872837 Li\n0.745070 0.119681 0.373035 Mn\n0.254930 0.880319 0.626965 Mn\n0.751446 0.631411 0.876447 Co\n0.248554 0.368589 0.123553 Co\n0.253575 0.732237 0.993199 O\n0.755850 0.473305 0.245874 O\n0.276967 0.232246 0.501242 O\n0.784488 0.993269 0.749123 O\n0.215512 0.006731 0.250877 O\n0.723033 0.767754 0.498758 O\n0.244150 0.526695 0.754126 O\n0.746425 0.267763 0.006801 O\n",
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{
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{
"id": "mp-1645663",
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"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.955082 0.091177 -0.144299\n0.901446 7.224357 2.840463\n-0.547511 -7.525815 17.546247\nLi Mn Co O\n14 8 2 24\ndirect\n0.665829 0.751048 0.082759 Li\n0.667500 0.248949 0.583907 Li\n0.786691 0.396108 0.044495 Li\n0.785683 0.896348 0.544686 Li\n0.547652 0.103656 0.121981 Li\n0.546642 0.603894 0.622170 Li\n0.151258 0.881811 0.201314 Li\n0.156625 0.378050 0.702894 Li\n0.182065 0.118190 0.465352 Li\n0.176702 0.621951 0.963770 Li\n0.494681 0.373333 0.375657 Li\n0.497244 0.876336 0.875899 Li\n0.838640 0.626669 0.291010 Li\n0.836094 0.123664 0.790765 Li\n0.022657 0.992861 0.002316 Mn\n0.019782 0.489992 0.503376 Mn\n0.313550 0.510004 0.163293 Mn\n0.310681 0.007140 0.664351 Mn\n0.337266 0.749778 0.417325 Mn\n0.348578 0.250000 0.915209 Mn\n0.996060 0.250216 0.249345 Mn\n0.984779 0.750009 0.751459 Mn\n0.666677 0.500000 0.833331 Co\n0.666655 0.999998 0.333334 Co\n0.467581 0.166287 0.013785 O\n0.464191 0.661439 0.515406 O\n0.869137 0.338559 0.151261 O\n0.865753 0.833718 0.652881 O\n0.770957 0.666079 0.184604 O\n0.768305 0.163304 0.685120 O\n0.562373 0.333918 0.482064 O\n0.565032 0.836695 0.981546 O\n0.082657 0.182902 0.348517 O\n0.049379 0.680132 0.849549 O\n0.250661 0.817093 0.318150 O\n0.283975 0.319871 0.817115 O\n0.732904 0.927427 0.437477 O\n0.719066 0.438183 0.931784 O\n0.600421 0.072571 0.229191 O\n0.614282 0.561820 0.734880 O\n0.085937 0.947277 0.096104 O\n0.085833 0.445456 0.597576 O\n0.247500 0.554543 0.069092 O\n0.247392 0.052726 0.570563 O\n0.385549 0.432280 0.264478 O\n0.370213 0.933660 0.765796 O\n0.947779 0.567717 0.402190 O\n0.963132 0.066340 0.900868 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
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{
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"structure_string": "Na2 Li1 S2\n1.0\n6.060424 0.000000 0.000000\n0.000000 6.060424 0.000000\n0.000000 0.000000 13.479809\nNa Li S\n2 1 2\ndirect\n0.500000 0.500000 0.648052 Na\n0.500000 0.500000 0.351948 Na\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.168784 S\n0.500000 0.500000 0.831216 S\n",
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{
"id": "mp-1009007",
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"structure_string": "Lu1 Sb1\n1.0\n3.741029 0.000000 0.000000\n0.000000 3.741029 0.000000\n0.000000 0.000000 3.741029\nLu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Sb\n",
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]
}