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{
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"results": [
{
"id": "mp-1105577",
"created_at": "2022-09-04T14:41:30.117436Z",
"structure_string": "La10 Ru2 Pb6\n1.0\n4.922887 -8.526690 0.000000\n4.922887 8.526690 0.000000\n0.000000 0.000000 6.975443\nLa Ru Pb\n10 2 6\ndirect\n0.767059 0.767059 0.750000 La\n0.232941 0.000000 0.750000 La\n0.000000 0.232941 0.750000 La\n0.232941 0.232941 0.250000 La\n0.767059 0.000000 0.250000 La\n0.000000 0.767059 0.250000 La\n0.666667 0.333333 0.000000 La\n0.333333 0.666667 0.000000 La\n0.333333 0.666667 0.500000 La\n0.666667 0.333333 0.500000 La\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.405365 0.405365 0.750000 Pb\n0.594635 0.000000 0.750000 Pb\n0.000000 0.594635 0.750000 Pb\n0.594635 0.594635 0.250000 Pb\n0.405365 0.000000 0.250000 Pb\n0.000000 0.405365 0.250000 Pb\n",
"nsites": 18,
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"elements": [
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"Ru",
"Pb"
],
"chemical_system": "La-Pb-Ru",
"density": 8.037246604552658,
"density_atomic": 0.030737629697767357,
"volume": 585.6014330638982,
"volume_molar": 19.59207921760285,
"formula_full": "La10 Ru2 Pb6",
"formula_reduced": "La5RuPb3",
"formula_anonymous": "AB3C5",
"energy": -99.8086305,
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"updated_at": "2021-11-28T01:35:23.218000Z",
"spacegroup": 193
},
{
"id": "mp-850185",
"created_at": "2022-09-04T14:41:30.120595Z",
"structure_string": "Li6 Bi2 P4 O16\n1.0\n5.348434 0.000000 0.000000\n0.000000 6.757499 0.000000\n0.000000 1.012162 9.470782\nLi Bi P O\n6 2 4 16\ndirect\n0.750000 0.696402 0.047488 Li\n0.250000 0.469932 0.229382 Li\n0.750000 0.260911 0.463218 Li\n0.250000 0.739089 0.536782 Li\n0.750000 0.530068 0.770618 Li\n0.250000 0.303598 0.952512 Li\n0.250000 0.012328 0.233903 Bi\n0.750000 0.987672 0.766097 Bi\n0.750000 0.214462 0.051671 P\n0.750000 0.731171 0.443209 P\n0.250000 0.268829 0.556791 P\n0.250000 0.785538 0.948329 P\n0.750000 0.984371 0.083176 O\n0.250000 0.723273 0.113030 O\n0.509034 0.303129 0.112242 O\n0.990966 0.303129 0.112242 O\n0.508246 0.849844 0.393909 O\n0.991754 0.849844 0.393909 O\n0.750000 0.526548 0.390419 O\n0.250000 0.274046 0.391619 O\n0.750000 0.725954 0.608381 O\n0.250000 0.473452 0.609581 O\n0.008246 0.150156 0.606091 O\n0.491754 0.150156 0.606091 O\n0.009034 0.696871 0.887758 O\n0.490966 0.696871 0.887758 O\n0.750000 0.276727 0.886970 O\n0.250000 0.015629 0.916824 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Li-O-P",
"density": 4.072558360036726,
"density_atomic": 0.081801178438765,
"volume": 342.293357313432,
"volume_molar": 7.361924210551654,
"formula_full": "Li6 Bi2 P4 O16",
"formula_reduced": "Li3Bi(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -190.27627516,
"energy_per_atom": -6.7955812557142865,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -179.28427516,
"band_gap": 3.8292,
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"is_magnetic": false,
"total_magnetization": 0.0017728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.774000Z",
"spacegroup": 11
},
{
"id": "mp-1044230",
"created_at": "2022-09-04T14:41:30.151159Z",
"structure_string": "Mg4 Co4 Bi4 O20\n1.0\n10.552969 0.000000 0.000000\n0.000000 5.352165 0.000000\n0.000000 2.893024 7.761488\nMg Co Bi O\n4 4 4 20\ndirect\n0.085824 0.545040 0.824357 Mg\n0.914176 0.454960 0.175643 Mg\n0.585824 0.454960 0.675643 Mg\n0.414176 0.545040 0.324357 Mg\n0.376524 0.157647 0.043086 Co\n0.623476 0.842353 0.956914 Co\n0.876524 0.842353 0.456914 Co\n0.123476 0.157647 0.543086 Co\n0.894721 0.027861 0.843386 Bi\n0.105279 0.972139 0.156614 Bi\n0.605279 0.027861 0.343386 Bi\n0.394721 0.972139 0.656614 Bi\n0.941174 0.821240 0.668339 O\n0.035958 0.300180 0.683163 O\n0.795802 0.168387 0.323824 O\n0.458434 0.753612 0.493608 O\n0.715535 0.693232 0.507180 O\n0.784465 0.693232 0.007180 O\n0.464042 0.300180 0.183163 O\n0.535958 0.699820 0.816837 O\n0.541566 0.246388 0.506392 O\n0.441174 0.178760 0.831661 O\n0.284465 0.306768 0.492820 O\n0.058826 0.178760 0.331661 O\n0.558826 0.821240 0.168339 O\n0.215535 0.306768 0.992820 O\n0.958434 0.246388 0.006392 O\n0.041566 0.753612 0.993608 O\n0.204198 0.831613 0.676176 O\n0.964042 0.699820 0.316837 O\n0.295802 0.831613 0.176176 O\n0.704198 0.168387 0.823824 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-Mg-O",
"density": 5.639680585140025,
"density_atomic": 0.07299629739992869,
"volume": 438.37839917660347,
"volume_molar": 8.249926331203044,
"formula_full": "Mg4 Co4 Bi4 O20",
"formula_reduced": "MgCoBiO5",
"formula_anonymous": "ABCD5",
"energy": -203.32580648,
"energy_per_atom": -6.3539314525,
"energy_above_hull": null,
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"energy_uncorrected": -183.03380648,
"band_gap": 0.4618000000000002,
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"is_magnetic": true,
"total_magnetization": 16.0005832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.545000Z",
"spacegroup": 14
},
{
"id": "mp-1245810",
"created_at": "2022-09-04T14:41:30.155609Z",
"structure_string": "Ba6 Co6 N10\n1.0\n6.333266 -0.262542 -0.599821\n-1.130232 7.743183 0.383779\n-2.891539 -2.783032 7.874339\nBa Co N\n6 6 10\ndirect\n0.761185 0.423657 0.612293 Ba\n0.238815 0.576343 0.387707 Ba\n0.648757 0.875891 0.860389 Ba\n0.351243 0.124109 0.139611 Ba\n0.701502 0.715502 0.228814 Ba\n0.298498 0.284498 0.771186 Ba\n0.903378 0.330662 0.973361 Co\n0.096622 0.669338 0.026639 Co\n0.753901 0.004110 0.576137 Co\n0.246099 0.995890 0.423863 Co\n0.050153 0.832820 0.682782 Co\n0.949847 0.167180 0.317218 Co\n0.818322 0.161006 0.774530 N\n0.181678 0.838994 0.225470 N\n0.722555 0.760936 0.554779 N\n0.277445 0.239064 0.445221 N\n0.773309 0.528005 0.935391 N\n0.226691 0.471995 0.064609 N\n0.228434 0.912737 0.588548 N\n0.771566 0.087263 0.411452 N\n0.155183 0.771021 0.872422 N\n0.844817 0.228979 0.127578 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Co",
"N"
],
"chemical_system": "Ba-Co-N",
"density": 5.825936330663809,
"density_atomic": 0.05857960598944669,
"volume": 375.55732286699526,
"volume_molar": 10.28026846251733,
"formula_full": "Ba6 Co6 N10",
"formula_reduced": "Ba3Co3N5",
"formula_anonymous": "A3B3C5",
"energy": -147.33416814,
"energy_per_atom": -6.6970076427272724,
"energy_above_hull": null,
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"energy_uncorrected": -143.72416814,
"band_gap": 0.0,
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"total_magnetization": 0.0786457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.544000Z",
"spacegroup": 2
},
{
"id": "mp-1206322",
"created_at": "2022-09-04T14:41:30.176537Z",
"structure_string": "Ce2 Ag4\n1.0\n-2.461981 3.198228 4.300490\n2.461981 -3.198228 4.300490\n2.461981 3.198228 -4.300490\nCe Ag\n2 4\ndirect\n0.755096 0.505096 0.250000 Ce\n0.244904 0.494904 0.750000 Ce\n0.172998 0.167269 0.005730 Ag\n0.827002 0.832731 0.994270 Ag\n0.661539 0.167269 0.494270 Ag\n0.338461 0.832731 0.505730 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce",
"density": 8.725231141416932,
"density_atomic": 0.044297498161012694,
"volume": 135.44782999236617,
"volume_molar": 13.594764964176314,
"formula_full": "Ce2 Ag4",
"formula_reduced": "CeAg2",
"formula_anonymous": "AB2",
"energy": -24.30656809,
"energy_per_atom": -4.051094681666666,
"energy_above_hull": null,
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"energy_uncorrected": -24.30656809,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.679000Z",
"spacegroup": 74
},
{
"id": "mp-558800",
"created_at": "2022-09-04T14:41:30.276757Z",
"structure_string": "Ca2 Mn8 Si10 O30\n1.0\n6.806300 0.000000 0.000000\n-0.542739 7.803316 0.000000\n-0.507472 -3.288911 11.524599\nCa Mn Si O\n2 8 10 30\ndirect\n0.635161 0.045451 0.693167 Ca\n0.364839 0.954549 0.306833 Ca\n0.031340 0.117627 0.148306 Mn\n0.125390 0.316649 0.445312 Mn\n0.796408 0.305261 0.977912 Mn\n0.203592 0.694739 0.022088 Mn\n0.812660 0.492349 0.270513 Mn\n0.968660 0.882373 0.851694 Mn\n0.874610 0.683351 0.554688 Mn\n0.187340 0.507651 0.729487 Mn\n0.290490 0.538970 0.261269 Si\n0.495550 0.222057 0.125573 Si\n0.844672 0.927053 0.345209 Si\n0.155328 0.072947 0.654791 Si\n0.755088 0.746594 0.089235 Si\n0.504450 0.777943 0.874427 Si\n0.244912 0.253406 0.910765 Si\n0.638626 0.270051 0.470405 Si\n0.709510 0.461030 0.738731 Si\n0.361374 0.729949 0.529595 Si\n0.301254 0.943452 0.566397 O\n0.883085 0.752930 0.388618 O\n0.104769 0.399289 0.268226 O\n0.254721 0.673024 0.183220 O\n0.266566 0.795566 0.868783 O\n0.299245 0.135323 0.778853 O\n0.635080 0.316015 0.613021 O\n0.961522 0.954383 0.676861 O\n0.116915 0.247070 0.611382 O\n0.418858 0.256206 0.413470 O\n0.057070 0.156657 0.959365 O\n0.700755 0.864677 0.221147 O\n0.809621 0.401157 0.436441 O\n0.895231 0.600711 0.731774 O\n0.038478 0.045617 0.323139 O\n0.942930 0.843343 0.040635 O\n0.190379 0.598843 0.563559 O\n0.581142 0.743794 0.586530 O\n0.807111 0.553114 0.100033 O\n0.444727 0.256979 0.995900 O\n0.555273 0.743021 0.004100 O\n0.192889 0.446886 0.899967 O\n0.517290 0.578349 0.778449 O\n0.745279 0.326976 0.816780 O\n0.698746 0.056548 0.433603 O\n0.658507 0.928583 0.851526 O\n0.364920 0.683985 0.386979 O\n0.482710 0.421651 0.221551 O\n0.733434 0.204434 0.131217 O\n0.341493 0.071417 0.148474 O\n",
"nsites": 50,
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"elements": [
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"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 3.473854945880463,
"density_atomic": 0.08168717923457432,
"volume": 612.091156390884,
"volume_molar": 7.372198203474152,
"formula_full": "Ca2 Mn8 Si10 O30",
"formula_reduced": "CaMn4(SiO3)5",
"formula_anonymous": "AB4C5D15",
"energy": -426.35720398,
"energy_per_atom": -8.5271440796,
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"updated_at": "2021-11-28T01:35:28.401000Z",
"spacegroup": 2
},
{
"id": "mp-1197129",
"created_at": "2022-09-04T14:41:30.344585Z",
"structure_string": "Na32 P16 H96 Se48 O48\n1.0\n0.000000 7.359958 0.000000\n0.006238 0.000000 20.975639\n24.281528 0.000000 -10.466251\nNa P H Se O\n32 16 96 48 48\ndirect\n0.932305 0.266849 0.978440 Na\n0.432305 0.233151 0.021560 Na\n0.067695 0.733151 0.021560 Na\n0.567695 0.766849 0.978440 Na\n0.716305 0.635850 0.130010 Na\n0.216305 0.864150 0.869990 Na\n0.283695 0.364150 0.869990 Na\n0.783695 0.135850 0.130010 Na\n0.216792 0.637007 0.131901 Na\n0.716792 0.862993 0.868099 Na\n0.783208 0.362993 0.868099 Na\n0.283208 0.137007 0.131901 Na\n0.293268 0.449185 0.149237 Na\n0.793268 0.050815 0.850763 Na\n0.706732 0.550815 0.850763 Na\n0.206732 0.949185 0.149237 Na\n0.535180 0.711004 0.479674 Na\n0.035180 0.788996 0.520326 Na\n0.464820 0.288996 0.520326 Na\n0.964820 0.211004 0.479674 Na\n0.671839 0.798978 0.350104 Na\n0.171839 0.701022 0.649896 Na\n0.328161 0.201022 0.649896 Na\n0.828161 0.298978 0.350104 Na\n0.287948 0.006129 0.368981 Na\n0.787948 0.493871 0.631019 Na\n0.712052 0.993871 0.631019 Na\n0.212052 0.506129 0.368981 Na\n0.788124 0.004628 0.368081 Na\n0.288124 0.495372 0.631919 Na\n0.211876 0.995372 0.631919 Na\n0.711876 0.504628 0.368081 Na\n0.757976 0.425380 0.104024 P\n0.257976 0.074620 0.895976 P\n0.242024 0.574620 0.895976 P\n0.742024 0.925380 0.104024 P\n0.764463 0.344294 0.142835 P\n0.264464 0.155706 0.857165 P\n0.235537 0.655706 0.857165 P\n0.735537 0.844294 0.142835 P\n0.215921 0.822044 0.396077 P\n0.715921 0.677956 0.603923 P\n0.784079 0.177956 0.603923 P\n0.284079 0.322044 0.396077 P\n0.194164 0.702343 0.357208 P\n0.694164 0.797657 0.642792 P\n0.805836 0.297657 0.642792 P\n0.305836 0.202343 0.357208 P\n0.766904 0.230320 0.877322 H\n0.266904 0.269680 0.122678 H\n0.233096 0.769680 0.122678 H\n0.733096 0.730320 0.877322 H\n0.613617 0.273513 0.916986 H\n0.113617 0.226487 0.083014 H\n0.386383 0.726487 0.083014 H\n0.886383 0.773513 0.916986 H\n0.458434 0.696387 0.228062 H\n0.958434 0.803613 0.771938 H\n0.541566 0.303613 0.771938 H\n0.041566 0.196387 0.228062 H\n0.473476 0.748913 0.199394 H\n0.973476 0.751087 0.800606 H\n0.526524 0.251087 0.800606 H\n0.026524 0.248913 0.199394 H\n0.057058 0.561909 0.193918 H\n0.557058 0.938091 0.806082 H\n0.942942 0.438091 0.806082 H\n0.442942 0.061909 0.193918 H\n0.240445 0.593175 0.223986 H\n0.740445 0.906825 0.776014 H\n0.759555 0.406825 0.776014 H\n0.259555 0.093175 0.223986 H\n0.469119 0.522157 0.062736 H\n0.969119 0.977843 0.937264 H\n0.530881 0.477843 0.937264 H\n0.030881 0.022157 0.062736 H\n0.450761 0.575010 0.034300 H\n0.950761 0.924990 0.965700 H\n0.549239 0.424990 0.965700 H\n0.049239 0.075010 0.034300 H\n0.979498 0.583804 0.033079 H\n0.479498 0.916196 0.966921 H\n0.020502 0.416196 0.966921 H\n0.520502 0.083804 0.033079 H\n0.975005 0.529358 0.060157 H\n0.475005 0.970642 0.939843 H\n0.024995 0.470642 0.939843 H\n0.524995 0.029358 0.060157 H\n0.973082 0.697627 0.226450 H\n0.473082 0.802373 0.773550 H\n0.026918 0.302373 0.773550 H\n0.526918 0.197627 0.226450 H\n0.969873 0.747371 0.194744 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0.800711 Se\n0.500992 0.866871 0.199289 Se\n0.501139 0.354351 0.186228 Se\n0.001139 0.145649 0.813772 Se\n0.498861 0.645649 0.813772 Se\n0.998861 0.854351 0.186228 Se\n0.793843 0.240856 0.074162 Se\n0.293843 0.259144 0.925838 Se\n0.206157 0.759144 0.925838 Se\n0.706157 0.740856 0.074162 Se\n0.257654 0.847948 0.324827 Se\n0.757654 0.652052 0.675173 Se\n0.742346 0.152052 0.675173 Se\n0.242346 0.347948 0.324827 Se\n0.452843 0.846346 0.452685 Se\n0.952843 0.653654 0.547315 Se\n0.547157 0.153654 0.547315 Se\n0.047157 0.346346 0.452685 Se\n0.956476 0.857674 0.440608 Se\n0.456476 0.642326 0.559392 Se\n0.043524 0.142326 0.559392 Se\n0.543524 0.357674 0.440608 Se\n0.443268 0.662629 0.306852 Se\n0.943268 0.837371 0.693148 Se\n0.556732 0.337371 0.693148 Se\n0.056732 0.162629 0.306852 Se\n0.176273 0.666961 0.425870 Se\n0.676273 0.833039 0.574130 Se\n0.823727 0.333039 0.574130 Se\n0.323727 0.166961 0.425870 Se\n0.943412 0.675166 0.307803 Se\n0.443412 0.824834 0.692197 Se\n0.056588 0.324834 0.692197 Se\n0.556588 0.175166 0.307803 Se\n0.745413 0.274228 0.909430 O\n0.245413 0.225772 0.090570 O\n0.254587 0.725772 0.090570 O\n0.754587 0.774228 0.909430 O\n0.473247 0.698822 0.191754 O\n0.973247 0.801178 0.808246 O\n0.526753 0.301178 0.808246 O\n0.026753 0.198822 0.191754 O\n0.188971 0.563462 0.187759 O\n0.688971 0.936538 0.812241 O\n0.811029 0.436538 0.812241 O\n0.311029 0.063462 0.187759 O\n0.459760 0.572167 0.070584 O\n0.959760 0.927833 0.929416 O\n0.540240 0.427833 0.929416 O\n0.040240 0.072167 0.070584 O\n0.966404 0.579642 0.068775 O\n0.466404 0.920358 0.931225 O\n0.033596 0.420358 0.931225 O\n0.533596 0.079642 0.068775 O\n0.963070 0.697892 0.189218 O\n0.463070 0.802108 0.810782 O\n0.036930 0.302108 0.810782 O\n0.536930 0.197892 0.189218 O\n0.722112 0.636670 0.409802 O\n0.222112 0.863330 0.590198 O\n0.277888 0.363330 0.590198 O\n0.777888 0.136670 0.409802 O\n0.786263 0.874743 0.312158 O\n0.286263 0.625257 0.687842 O\n0.213737 0.125257 0.687842 O\n0.713737 0.374743 0.312158 O\n0.042402 0.002543 0.306939 O\n0.542402 0.497457 0.693061 O\n0.957598 0.997457 0.693061 O\n0.457598 0.502543 0.306939 O\n0.038549 0.012098 0.430823 O\n0.538549 0.487902 0.569177 O\n0.961451 0.987902 0.569177 O\n0.461451 0.512098 0.430823 O\n0.536555 0.013983 0.311100 O\n0.036555 0.486017 0.688900 O\n0.463445 0.986017 0.688900 O\n0.963445 0.513983 0.311100 O\n0.541073 0.000068 0.428931 O\n0.041073 0.499932 0.571069 O\n0.458927 -0.000068 0.571069 O\n0.958927 0.500068 0.428931 O\n",
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{
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{
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{
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]
}