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{
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"results": [
{
"id": "mp-29361",
"created_at": "2022-09-04T14:47:07.156754Z",
"structure_string": "K4 U4 O14\n1.0\n8.062797 0.000000 0.000000\n0.000000 6.987561 0.000000\n0.000000 2.361632 6.786131\nK U O\n4 4 14\ndirect\n0.257493 0.020443 0.493960 K\n0.757493 0.979557 0.506040 K\n0.500487 0.486380 0.503440 K\n0.000487 0.513620 0.496560 K\n0.259289 0.530831 0.994874 U\n0.759289 0.469169 0.005126 U\n0.501176 0.979458 0.003978 U\n0.001176 0.020542 0.996022 U\n0.399401 0.267706 0.998529 O\n0.899401 0.732294 0.001471 O\n0.499636 0.887411 0.282592 O\n0.999636 0.112589 0.717408 O\n0.246280 0.438302 0.272213 O\n0.746280 0.561698 0.727787 O\n0.757775 0.377236 0.282357 O\n0.257775 0.622764 0.717643 O\n0.744802 0.134939 0.012813 O\n0.244802 0.865061 0.987187 O\n0.023804 0.348976 0.988318 O\n0.523804 0.651024 0.011682 O\n0.513559 0.071785 0.725452 O\n0.013559 0.928215 0.274548 O\n",
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"elements": [
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"U",
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],
"chemical_system": "K-O-U",
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"volume": 382.3257743474907,
"volume_molar": 10.465543769529939,
"formula_full": "K4 U4 O14",
"formula_reduced": "K2U2O7",
"formula_anonymous": "A2B2C7",
"energy": -192.10824101,
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"updated_at": "2021-11-28T01:37:52.980000Z",
"spacegroup": 4
},
{
"id": "mp-1223865",
"created_at": "2022-09-04T14:47:07.184727Z",
"structure_string": "In1 Ga3 O6\n1.0\n0.000000 3.167915 0.000000\n0.092517 0.000000 6.128616\n6.066720 1.583958 -1.724753\nIn Ga O\n1 3 6\ndirect\n0.095381 0.203305 0.809237 In\n0.908063 0.794563 0.183875 Ga\n0.661268 0.684192 0.677465 Ga\n0.339757 0.315806 0.320487 Ga\n0.179528 0.449030 0.640944 O\n0.827660 0.567280 0.344679 O\n0.167024 0.867959 0.665951 O\n0.834196 0.108924 0.331607 O\n0.494820 0.744359 0.010360 O\n0.492303 0.264583 0.015395 O\n",
"nsites": 10,
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"elements": [
"In",
"Ga",
"O"
],
"chemical_system": "Ga-In-O",
"density": 5.89564676712976,
"density_atomic": 0.08453766200084081,
"volume": 118.29047271144712,
"volume_molar": 7.123618772352735,
"formula_full": "In1 Ga3 O6",
"formula_reduced": "In(GaO2)3",
"formula_anonymous": "AB3C6",
"energy": -62.54953457,
"energy_per_atom": -6.254953457,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.172000Z",
"spacegroup": 8
},
{
"id": "mp-510022",
"created_at": "2022-09-04T14:47:07.194220Z",
"structure_string": "Mn2 H20 Se2 O18\n1.0\n6.331692 0.000000 0.000000\n2.158111 6.078243 0.000000\n1.617396 2.403232 10.741678\nMn H Se O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.737405 0.894181 0.857261 H\n0.262595 0.105819 0.142739 H\n0.759788 0.715730 0.988763 H\n0.240212 0.284270 0.011237 H\n0.883270 0.346878 0.792940 H\n0.116730 0.653122 0.207060 H\n0.650089 0.355182 0.870929 H\n0.349911 0.644818 0.129071 H\n0.553688 0.595803 0.609594 H\n0.446312 0.404197 0.390406 H\n0.640488 0.324188 0.629788 H\n0.359512 0.675812 0.370212 H\n0.097176 0.813549 0.600707 H\n0.902824 0.186451 0.399293 H\n0.829462 0.868243 0.624459 H\n0.170538 0.131757 0.375541 H\n0.302613 0.606010 0.874366 H\n0.697387 0.393990 0.125634 H\n0.279574 0.430834 0.805443 H\n0.720426 0.569166 0.194557 H\n0.351536 0.017673 0.712196 Se\n0.648464 0.982327 0.287804 Se\n0.283927 0.899448 0.859344 O\n0.716073 0.100552 0.140656 O\n0.171015 0.280245 0.675450 O\n0.828985 0.719755 0.324550 O\n0.346275 0.856513 0.617084 O\n0.653725 0.143487 0.382916 O\n0.610666 0.040058 0.705669 O\n0.389334 0.959942 0.294331 O\n0.832941 0.816956 0.928128 O\n0.167059 0.183044 0.071872 O\n0.814550 0.315837 0.877680 O\n0.185450 0.684163 0.122320 O\n0.685227 0.462413 0.600197 O\n0.314773 0.537587 0.399803 O\n0.967599 0.767294 0.589940 O\n0.032401 0.232706 0.410060 O\n0.350129 0.442409 0.875353 O\n0.649871 0.557591 0.124647 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"H",
"Se",
"O"
],
"chemical_system": "H-Mn-O-Se",
"density": 2.313446468563396,
"density_atomic": 0.10159663444546964,
"volume": 413.39952085266,
"volume_molar": 5.927500249264937,
"formula_full": "Mn2 H20 Se2 O18",
"formula_reduced": "MnH10SeO9",
"formula_anonymous": "ABC9D10",
"energy": -238.54251472,
"energy_per_atom": -5.679583683809524,
"energy_above_hull": null,
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"energy_uncorrected": -222.84051472,
"band_gap": 1.1322,
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"is_magnetic": true,
"total_magnetization": 10.0012176,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.247000Z",
"spacegroup": 2
},
{
"id": "mp-1197708",
"created_at": "2022-09-04T14:47:07.198448Z",
"structure_string": "Ca24 Mg24 B48 O120\n1.0\n0.000000 5.546634 0.000000\n0.000000 0.000000 11.214428\n36.501678 0.000000 0.000000\nCa Mg B O\n24 24 48 120\ndirect\n0.973154 0.120276 0.947861 Ca\n0.473154 0.879724 0.052139 Ca\n0.473154 0.379724 0.947861 Ca\n0.973154 0.620276 0.052139 Ca\n0.280934 0.618145 0.887063 Ca\n0.780934 0.381855 0.112937 Ca\n0.780934 0.881855 0.887063 Ca\n0.280934 0.118145 0.112937 Ca\n0.209444 0.127146 0.780881 Ca\n0.709444 0.872854 0.219119 Ca\n0.709444 0.372854 0.780881 Ca\n0.209444 0.627146 0.219119 Ca\n0.982872 0.872941 0.722169 Ca\n0.482872 0.127059 0.277831 Ca\n0.482872 0.627059 0.722169 Ca\n0.982872 0.372941 0.277831 Ca\n0.907576 0.381326 0.614956 Ca\n0.407576 0.618674 0.385044 Ca\n0.407576 0.118674 0.614956 Ca\n0.907576 0.881326 0.385044 Ca\n0.225878 0.880425 0.553356 Ca\n0.725878 0.119575 0.446644 Ca\n0.725878 0.619575 0.553356 Ca\n0.225878 0.380425 0.446644 Ca\n0.000638 0.869651 0.995613 Mg\n0.500638 0.130349 0.004387 Mg\n0.500638 0.630349 0.995613 Mg\n0.000638 0.369651 0.004387 Mg\n0.234340 0.871804 0.830521 Mg\n0.734340 0.128196 0.169479 Mg\n0.734340 0.628196 0.830521 Mg\n0.234340 0.371804 0.169479 Mg\n0.231073 0.371206 0.839073 Mg\n0.731073 0.628794 0.160927 Mg\n0.731073 0.128794 0.839073 Mg\n0.231073 0.871206 0.160927 Mg\n0.956193 0.627750 0.664011 Mg\n0.456193 0.372250 0.335989 Mg\n0.456193 0.872250 0.664011 Mg\n0.956193 0.127750 0.335989 Mg\n0.955117 0.127796 0.672078 Mg\n0.455117 0.872204 0.327922 Mg\n0.455117 0.372204 0.672078 Mg\n0.955117 0.627796 0.327922 Mg\n0.185566 0.631460 0.495864 Mg\n0.685566 0.368540 0.504136 Mg\n0.685566 0.868540 0.495864 Mg\n0.185566 0.131460 0.504136 Mg\n0.187292 0.384767 0.526652 B\n0.687292 0.615233 0.473348 B\n0.687292 0.115233 0.526652 B\n0.187292 0.884767 0.473348 B\n0.217883 0.622904 0.809844 B\n0.717883 0.377096 0.190156 B\n0.717883 0.877096 0.809844 B\n0.217883 0.122904 0.190156 B\n0.999712 0.618209 0.974377 B\n0.499712 0.381791 0.025623 B\n0.499712 0.881791 0.974377 B\n0.999712 0.118209 0.025623 B\n0.472806 0.126358 0.692991 B\n0.972806 0.873642 0.307009 B\n0.972806 0.373642 0.692991 B\n0.472806 0.626358 0.307009 B\n0.446686 0.615627 0.643507 B\n0.946686 0.384373 0.356493 B\n0.946686 0.884373 0.643507 B\n0.446686 0.115627 0.356493 B\n0.237294 0.116393 0.859259 B\n0.737294 0.883607 0.140741 B\n0.737294 0.383607 0.859259 B\n0.237294 0.616393 0.140741 B\n0.184168 0.623807 0.588193 B\n0.684168 0.376192 0.411807 B\n0.684168 0.876193 0.588193 B\n0.184168 0.123808 0.411807 B\n0.239381 0.876268 0.920207 B\n0.739381 0.123732 0.079793 B\n0.739381 0.623732 0.920207 B\n0.239381 0.376268 0.079793 B\n0.453423 0.378311 0.580902 B\n0.953423 0.621689 0.419098 B\n0.953423 0.121689 0.580902 B\n0.453423 0.878311 0.419098 B\n0.444666 0.881667 0.755409 B\n0.944666 0.118333 0.244591 B\n0.944666 0.618333 0.755409 B\n0.444666 0.381667 0.244591 B\n0.498682 0.124497 0.914351 B\n0.998682 0.875503 0.085649 B\n0.998682 0.375503 0.914351 B\n0.498682 0.624497 0.085649 B\n0.249167 0.379048 0.747489 B\n0.749167 0.620952 0.252511 B\n0.749167 0.120952 0.747489 B\n0.249167 0.879048 0.252511 B\n0.468960 0.331351 0.615401 O\n0.968960 0.668649 0.384599 O\n0.968960 0.168649 0.615401 O\n0.468960 0.831351 0.384599 O\n0.014640 0.368631 0.731572 O\n0.514640 0.631369 0.268428 O\n0.514640 0.131369 0.731572 O\n0.014640 0.868631 0.268428 O\n0.153039 0.089518 0.561156 O\n0.653039 0.910482 0.438844 O\n0.653039 0.410482 0.561156 O\n0.153039 0.589518 0.438844 O\n0.182048 0.667587 0.553227 O\n0.682048 0.332413 0.446773 O\n0.682048 0.832413 0.553227 O\n0.182048 0.167587 0.446773 O\n0.249277 0.918506 0.775020 O\n0.749277 0.081494 0.224980 O\n0.749277 0.581494 0.775020 O\n0.249277 0.418506 0.224980 O\n0.225044 0.830180 0.885755 O\n0.725044 0.169820 0.114245 O\n0.725044 0.669820 0.885755 O\n0.225044 0.330180 0.114245 O\n0.443324 0.417633 0.728105 O\n0.943324 0.582367 0.271895 O\n0.943324 0.082367 0.728105 O\n0.443324 0.917633 0.271895 O\n0.179664 0.624957 0.771249 O\n0.679664 0.375043 0.228751 O\n0.679664 0.875043 0.771249 O\n0.179664 0.124957 0.228751 O\n0.975059 0.611305 0.935760 O\n0.475059 0.388695 0.064240 O\n0.475059 0.888695 0.935760 O\n0.975059 0.111305 0.064240 O\n0.217937 0.392447 0.565244 O\n0.717937 0.607553 0.434756 O\n0.717937 0.107553 0.565244 O\n0.217937 0.892447 0.434756 O\n0.328543 0.304994 0.507649 O\n0.828543 0.695006 0.492351 O\n0.828543 0.195006 0.507649 O\n0.328543 0.804994 0.492351 O\n0.267321 0.109260 0.897554 O\n0.767321 0.890740 0.102446 O\n0.767321 0.390740 0.897554 O\n0.267321 0.609260 0.102446 O\n0.477776 0.903497 0.606991 O\n0.977776 0.096503 0.393009 O\n0.977776 0.596503 0.606991 O\n0.477776 0.403497 0.393009 O\n0.039448 0.909378 0.939638 O\n0.539448 0.090622 0.060362 O\n0.539448 0.590622 0.939638 O\n0.039448 0.409378 0.060362 O\n0.268164 0.341089 0.783020 O\n0.768164 0.658911 0.216980 O\n0.768164 0.158911 0.783020 O\n0.268164 0.841089 0.216980 O\n0.205551 0.402471 0.895857 O\n0.705551 0.597529 0.104143 O\n0.705551 0.097529 0.895857 O\n0.205551 0.902471 0.104143 O\n0.414418 0.606605 0.605133 O\n0.914418 0.393395 0.394867 O\n0.914418 0.893395 0.605133 O\n0.414418 0.106605 0.394867 O\n0.425312 0.842154 0.720212 O\n0.925312 0.157846 0.279788 O\n0.925312 0.657846 0.720212 O\n0.425312 0.342154 0.279788 O\n0.104933 0.448898 0.671081 O\n0.604933 0.551102 0.328919 O\n0.604933 0.051102 0.671081 O\n0.104933 0.948898 0.328919 O\n0.161170 0.547226 0.992728 O\n0.661170 0.452774 0.007272 O\n0.661170 0.952774 0.992728 O\n0.161170 0.047226 0.007272 O\n0.113188 0.955175 0.661009 O\n0.613188 0.044825 0.338991 O\n0.613188 0.544825 0.661009 O\n0.113188 0.455175 0.338991 O\n0.388412 0.697115 0.824338 O\n0.888412 0.302885 0.175662 O\n0.888412 0.802885 0.824338 O\n0.388412 0.197115 0.175662 O\n0.353700 0.803533 0.992703 O\n0.853700 0.196467 0.007297 O\n0.853700 0.696467 0.992703 O\n0.353700 0.303533 0.007297 O\n0.309249 0.695403 0.663073 O\n0.809249 0.304597 0.336927 O\n0.809249 0.804597 0.663073 O\n0.309249 0.195403 0.336927 O\n0.495149 0.166935 0.949214 O\n0.995149 0.833065 0.050786 O\n0.995149 0.333065 0.949214 O\n0.495149 0.666935 0.050786 O\n0.300123 0.198899 0.678174 O\n0.800123 0.801101 0.321826 O\n0.800123 0.301101 0.678174 O\n0.300123 0.698899 0.321826 O\n0.377719 0.195085 0.839952 O\n0.877719 0.804915 0.160048 O\n0.877719 0.304915 0.839952 O\n0.377719 0.695085 0.160048 O\n0.071420 0.044974 0.841917 O\n0.571420 0.955026 0.158083 O\n0.571420 0.455026 0.841917 O\n0.071420 0.544974 0.158083 O\n0.523464 0.044356 0.508676 O\n0.023464 0.955644 0.491324 O\n0.023464 0.455644 0.508676 O\n0.523464 0.544356 0.491324 O\n0.083002 0.549484 0.831959 O\n0.583002 0.450516 0.168041 O\n0.583002 0.950516 0.831959 O\n0.083002 0.049484 0.168041 O\n",
"nsites": 216,
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"elements": [
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"Mg",
"B",
"O"
],
"chemical_system": "B-Ca-Mg-O",
"density": 2.9137627944647058,
"density_atomic": 0.09513367746185694,
"volume": 2270.48933419612,
"volume_molar": 6.330188131762833,
"formula_full": "Ca24 Mg24 B48 O120",
"formula_reduced": "CaMgB2O5",
"formula_anonymous": "ABC2D5",
"energy": -1676.50526279,
"energy_per_atom": -7.761598438842593,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:52.883000Z",
"spacegroup": 29
},
{
"id": "mp-1113863",
"created_at": "2022-09-04T14:47:07.127545Z",
"structure_string": "Rb2 Tl1 Mo1 F6\n1.0\n6.683189 0.000000 0.000000\n3.341595 5.787811 0.000000\n3.341595 1.929270 5.456801\nRb Tl Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Mo\n0.219805 0.780195 0.219805 F\n0.780195 0.780195 0.219805 F\n0.780195 0.219805 0.780195 F\n0.780195 0.219805 0.219805 F\n0.219805 0.780195 0.780195 F\n0.219805 0.219805 0.780195 F\n",
"nsites": 10,
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"elements": [
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"Tl",
"Mo",
"F"
],
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"density": 4.604196120249714,
"density_atomic": 0.04737659015182253,
"volume": 211.07470942830844,
"volume_molar": 12.711216110533725,
"formula_full": "Rb2 Tl1 Mo1 F6",
"formula_reduced": "Rb2TlMoF6",
"formula_anonymous": "ABC2D6",
"energy": -53.93408215,
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"updated_at": "2021-11-28T01:37:56.969000Z",
"spacegroup": 225
},
{
"id": "mp-1028093",
"created_at": "2022-09-04T14:47:07.129240Z",
"structure_string": "Y1 Mg14 Zn1\n1.0\n6.432735 0.037063 0.000000\n-3.184270 5.515318 0.000000\n0.000000 0.000000 10.339543\nY Mg Zn\n1 14 1\ndirect\n0.158059 0.329029 0.125000 Y\n0.168042 0.334020 0.625000 Mg\n0.164015 0.832007 0.625000 Mg\n0.651966 0.315732 0.125000 Mg\n0.666007 0.336489 0.625000 Mg\n0.651966 0.836234 0.125000 Mg\n0.666007 0.829517 0.625000 Mg\n0.333931 0.163832 0.377081 Mg\n0.333931 0.163832 0.872919 Mg\n0.333931 0.670100 0.377081 Mg\n0.333931 0.670100 0.872919 Mg\n0.832513 0.166257 0.382227 Mg\n0.832513 0.166257 0.867773 Mg\n0.839832 0.669917 0.362942 Mg\n0.839832 0.669917 0.887058 Mg\n0.193523 0.846761 0.125000 Zn\n",
"nsites": 16,
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"elements": [
"Y",
"Mg",
"Zn"
],
"chemical_system": "Mg-Y-Zn",
"density": 2.2314135811692206,
"density_atomic": 0.04347205276253999,
"volume": 368.0525529217073,
"volume_molar": 13.852901754824192,
"formula_full": "Y1 Mg14 Zn1",
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"formula_anonymous": "ABC14",
"energy": -30.33349229,
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