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{
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"results": [
{
"id": "mp-1185727",
"created_at": "2022-09-04T14:42:04.736782Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n5.260009 -7.510666 0.000000\n5.260009 7.510666 0.000000\n-5.464325 0.000000 7.363351\nMg Sc Al\n16 1 12\ndirect\n0.395117 0.720264 0.395117 Mg\n0.998009 0.998009 0.998009 Mg\n0.684760 0.282270 0.684760 Mg\n0.003940 0.343923 0.003940 Mg\n0.311777 0.999011 0.605024 Mg\n0.999011 0.605024 0.311777 Mg\n0.395117 0.395117 0.720264 Mg\n0.003940 0.003940 0.343923 Mg\n0.605024 0.311777 0.999011 Mg\n0.282270 0.684760 0.684760 Mg\n0.684760 0.684760 0.282270 Mg\n0.999011 0.311777 0.605024 Mg\n0.343923 0.003940 0.003940 Mg\n0.720264 0.395117 0.395117 Mg\n0.311777 0.605024 0.999011 Mg\n0.605024 0.999011 0.311777 Mg\n0.628715 0.628715 0.628715 Sc\n0.189805 0.825438 0.189805 Al\n0.373349 0.191016 0.373349 Al\n0.634599 0.995260 0.812540 Al\n0.812540 0.634599 0.995260 Al\n0.191016 0.373349 0.373349 Al\n0.634599 0.812540 0.995260 Al\n0.825438 0.189805 0.189805 Al\n0.189805 0.189805 0.825438 Al\n0.995260 0.812540 0.634599 Al\n0.373349 0.373349 0.191016 Al\n0.995260 0.634599 0.812540 Al\n0.812540 0.995260 0.634599 Al\n",
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"elements": [
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"volume": 581.7956038846384,
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"formula_full": "Mg16 Sc1 Al12",
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"updated_at": "2021-11-28T01:35:33.171000Z",
"spacegroup": 160
},
{
"id": "mp-9843",
"created_at": "2022-09-04T14:42:04.739991Z",
"structure_string": "Sr6 Al4 P8\n1.0\n5.108804 6.614739 0.000000\n-5.108804 6.614739 0.000000\n0.000000 0.133410 6.704981\nSr Al P\n6 4 8\ndirect\n0.992560 0.253349 0.455800 Sr\n0.746651 0.007440 0.044200 Sr\n0.007440 0.746651 0.544200 Sr\n0.253349 0.992560 0.955800 Sr\n0.598034 0.401966 0.750000 Sr\n0.401966 0.598034 0.250000 Sr\n0.581996 0.828404 0.580316 Al\n0.171596 0.418004 0.919684 Al\n0.418004 0.171596 0.419684 Al\n0.828404 0.581996 0.080316 Al\n0.704456 0.059498 0.523707 P\n0.940502 0.295544 0.976293 P\n0.418647 0.259936 0.078346 P\n0.740064 0.581353 0.421654 P\n0.581353 0.740064 0.921654 P\n0.259936 0.418647 0.578346 P\n0.059498 0.704456 0.023707 P\n0.295544 0.940502 0.476293 P\n",
"nsites": 18,
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"elements": [
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"Al",
"P"
],
"chemical_system": "Al-P-Sr",
"density": 3.229836244992792,
"density_atomic": 0.039720344261521455,
"volume": 453.16827773411967,
"volume_molar": 15.161350869342458,
"formula_full": "Sr6 Al4 P8",
"formula_reduced": "Sr3(AlP2)2",
"formula_anonymous": "A2B3C4",
"energy": -86.39083033,
"energy_per_atom": -4.799490573888889,
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"updated_at": "2021-11-28T01:35:39.183000Z",
"spacegroup": 15
},
{
"id": "mp-766016",
"created_at": "2022-09-04T14:42:04.750597Z",
"structure_string": "Li2 V2 Cr2 P4 O16 F4\n1.0\n6.879506 0.000000 0.000000\n3.413206 6.482563 0.000000\n0.281350 0.271433 7.929864\nLi V Cr P O F\n2 2 2 4 16 4\ndirect\n0.248938 0.819263 0.320431 Li\n0.751062 0.180737 0.679569 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.275105 0.244389 0.839622 P\n0.778197 0.241205 0.338006 P\n0.221803 0.758795 0.661994 P\n0.724895 0.755611 0.160378 P\n0.413052 0.602525 0.765100 O\n0.293068 0.911389 0.563086 O\n0.203727 0.086433 0.929796 O\n0.337806 0.338790 0.981030 O\n0.080481 0.396346 0.734837 O\n0.836154 0.334189 0.486573 O\n0.014634 0.895987 0.768349 O\n0.481375 0.118603 0.724355 O\n0.518625 0.881397 0.275645 O\n0.985366 0.104013 0.231651 O\n0.163846 0.665811 0.513427 O\n0.919519 0.603654 0.265163 O\n0.662194 0.661210 0.018970 O\n0.796273 0.913567 0.070204 O\n0.706932 0.088611 0.436914 O\n0.586948 0.397475 0.234900 O\n0.765678 0.262918 0.905823 F\n0.731126 0.738596 0.584198 F\n0.268874 0.261404 0.415802 F\n0.234322 0.737082 0.094177 F\n",
"nsites": 30,
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"elements": [
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"Cr",
"P",
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"F"
],
"chemical_system": "Cr-F-Li-O-P-V",
"density": 3.172431900211978,
"density_atomic": 0.08483040018561876,
"volume": 353.6468050882292,
"volume_molar": 7.099036131885335,
"formula_full": "Li2 V2 Cr2 P4 O16 F4",
"formula_reduced": "LiVCrP2(O4F)2",
"formula_anonymous": "ABCD2E2F8",
"energy": -231.45089821,
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"updated_at": "2021-11-28T01:35:44.889000Z",
"spacegroup": 2
},
{
"id": "mp-1222509",
"created_at": "2022-09-04T14:42:04.758817Z",
"structure_string": "Li4 W1 O6\n1.0\n4.380643 2.730553 0.000000\n-4.380643 2.730553 0.000000\n0.000000 2.302413 4.783683\nLi W O\n4 1 6\ndirect\n0.817775 0.182225 0.500000 Li\n0.344873 0.655127 0.000000 Li\n0.655127 0.344873 0.000000 Li\n0.182225 0.817775 0.500000 Li\n0.000000 0.000000 0.000000 W\n0.389770 0.065930 0.764549 O\n0.934070 0.610230 0.235451 O\n0.065930 0.389770 0.764549 O\n0.610230 0.934070 0.235451 O\n0.786859 0.786859 0.784862 O\n0.213141 0.213141 0.215138 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"W",
"O"
],
"chemical_system": "Li-O-W",
"density": 4.463290275897395,
"density_atomic": 0.09611957115085093,
"volume": 114.44079356884042,
"volume_molar": 6.265259705069634,
"formula_full": "Li4 W1 O6",
"formula_reduced": "Li4WO6",
"formula_anonymous": "AB4C6",
"energy": -72.16272186,
"energy_per_atom": -6.560247441818182,
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"updated_at": "2021-11-28T01:35:37.891000Z",
"spacegroup": 12
},
{
"id": "mp-1094337",
"created_at": "2022-09-04T14:42:04.761964Z",
"structure_string": "Mg4 Ti4\n1.0\n4.902376 0.000000 0.000000\n0.000000 5.247952 0.000000\n0.000000 0.000000 6.057320\nMg Ti\n4 4\ndirect\n0.250000 0.083745 0.874808 Mg\n0.250000 0.583745 0.625192 Mg\n0.750000 0.416255 0.374808 Mg\n0.750000 0.916255 0.125192 Mg\n0.250000 0.084638 0.374301 Ti\n0.250000 0.584638 0.125699 Ti\n0.750000 0.415362 0.874301 Ti\n0.750000 0.915362 0.625699 Ti\n",
"nsites": 8,
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"elements": [
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"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.0761027654725925,
"density_atomic": 0.0513349328058055,
"volume": 155.83930011680613,
"volume_molar": 11.731077515541138,
"formula_full": "Mg4 Ti4",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy": -35.9656647,
"energy_per_atom": -4.4957080875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:45.713000Z",
"spacegroup": 62
},
{
"id": "mp-1224548",
"created_at": "2022-09-04T14:42:04.790548Z",
"structure_string": "K3 Na7 Mg2 H12 S6 N2 O36\n1.0\n8.717150 -5.530831 0.000000\n8.717150 5.530831 0.000000\n5.207965 0.000000 8.913804\nK Na Mg H S N O\n3 7 2 12 6 2 36\ndirect\n0.999107 0.500672 0.502021 K\n0.500672 0.502021 0.999107 K\n0.502021 0.999107 0.500672 K\n0.271847 0.739647 0.259032 Na\n0.739647 0.259032 0.271847 Na\n0.259032 0.271847 0.739647 Na\n0.723921 0.267597 0.739178 Na\n0.267597 0.739178 0.723921 Na\n0.739178 0.723921 0.267597 Na\n0.127962 0.127962 0.127962 Na\n0.001664 0.001664 0.001664 Mg\n0.876759 0.876759 0.876759 Mg\n0.233796 0.967254 0.376765 H\n0.967254 0.376765 0.233796 H\n0.376765 0.233796 0.967254 H\n0.776057 0.015315 0.633374 H\n0.015315 0.633374 0.776057 H\n0.633374 0.776057 0.015315 H\n0.378070 0.964232 0.240761 H\n0.964232 0.240761 0.378070 H\n0.240761 0.378070 0.964232 H\n0.633503 0.017998 0.772622 H\n0.017998 0.772622 0.633503 H\n0.772622 0.633503 0.017998 H\n0.100866 0.621991 0.095405 S\n0.621991 0.095405 0.100866 S\n0.095405 0.100866 0.621991 S\n0.892416 0.387695 0.897298 S\n0.387695 0.897298 0.892416 S\n0.897298 0.892416 0.387695 S\n0.427649 0.427649 0.427649 N\n0.572059 0.572059 0.572059 N\n0.189674 0.625543 0.173269 O\n0.625543 0.173269 0.189674 O\n0.173269 0.189674 0.625543 O\n0.798964 0.399874 0.814031 O\n0.399874 0.814031 0.798964 O\n0.814031 0.798964 0.399874 O\n0.016877 0.782020 0.021785 O\n0.782020 0.021785 0.016877 O\n0.021785 0.016877 0.782020 O\n0.969368 0.225425 0.964184 O\n0.225425 0.964184 0.969368 O\n0.964184 0.969368 0.225425 O\n0.985794 0.545717 0.203706 O\n0.545717 0.203706 0.985794 O\n0.203706 0.985794 0.545717 O\n0.010853 0.462996 0.792545 O\n0.462996 0.792545 0.010853 O\n0.792545 0.010853 0.462996 O\n0.200706 0.551764 0.973780 O\n0.551764 0.973780 0.200706 O\n0.973780 0.200706 0.551764 O\n0.796356 0.456685 0.021350 O\n0.456685 0.021350 0.796356 O\n0.021350 0.796356 0.456685 O\n0.296125 0.506269 0.481058 O\n0.506269 0.481058 0.296125 O\n0.481058 0.296125 0.506269 O\n0.703638 0.495172 0.516478 O\n0.495172 0.516478 0.703638 O\n0.516478 0.703638 0.495172 O\n0.276901 0.277566 0.951221 O\n0.277566 0.951221 0.276901 O\n0.951221 0.276901 0.277566 O\n0.738812 0.739795 0.019154 O\n0.739795 0.019154 0.738812 O\n0.019154 0.738812 0.739795 O\n",
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"S",
"N",
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],
"chemical_system": "H-K-Mg-N-Na-O-S",
"density": 2.1933387764272143,
"density_atomic": 0.07911356027043556,
"volume": 859.5239522473032,
"volume_molar": 7.612020922095263,
"formula_full": "K3 Na7 Mg2 H12 S6 N2 O36",
"formula_reduced": "K3Na7Mg2H12S6(NO18)2",
"formula_anonymous": "A2B2C3D6E7F12G36",
"energy": -405.15411796,
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},
{
"id": "mp-1223972",
"created_at": "2022-09-04T14:42:04.798021Z",
"structure_string": "Ho1 Al1 Cu4\n1.0\n2.579652 -4.468088 0.000000\n2.579652 4.468088 0.000000\n0.000000 0.000000 4.008015\nHo Al Cu\n1 1 4\ndirect\n0.666667 0.333333 0.000000 Ho\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Cu\n0.664361 0.832181 0.500000 Cu\n0.167819 0.832181 0.500000 Cu\n0.167819 0.335639 0.500000 Cu\n",
"nsites": 6,
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"volume": 92.39366074069838,
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"formula_full": "Ho1 Al1 Cu4",
"formula_reduced": "HoAlCu4",
"formula_anonymous": "ABC4",
"energy": -26.23078411,
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"updated_at": "2021-11-28T01:35:37.564000Z",
"spacegroup": 187
},
{
"id": "mp-1218739",
"created_at": "2022-09-04T14:42:04.799076Z",
"structure_string": "Sr2 Nb1 Ga1 O6\n1.0\n0.000000 4.000204 4.000204\n4.000204 0.000000 4.000204\n4.000204 4.000204 0.000000\nSr Nb Ga O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ga\n0.749216 0.250784 0.250784 O\n0.250784 0.749216 0.749216 O\n0.250784 0.250784 0.749216 O\n0.749216 0.749216 0.250784 O\n0.250784 0.749216 0.250784 O\n0.749216 0.250784 0.749216 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-Nb-O-Sr",
"density": 5.627662965456641,
"density_atomic": 0.07811304809411511,
"volume": 128.019584998801,
"volume_molar": 7.709519608995641,
"formula_full": "Sr2 Nb1 Ga1 O6",
"formula_reduced": "Sr2NbGaO6",
"formula_anonymous": "ABC2D6",
"energy": -76.73891677,
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{
"id": "mp-505552",
"created_at": "2022-09-04T14:42:04.805165Z",
"structure_string": "Cd4 Ru4 O14\n1.0\n0.000000 5.126145 5.126145\n5.126145 0.000000 5.126145\n5.126145 5.126145 0.000000\nCd Ru O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Cd\n0.125000 0.125000 0.625000 Cd\n0.625000 0.125000 0.125000 Cd\n0.125000 0.125000 0.125000 Cd\n0.625000 0.125000 0.625000 Ru\n0.625000 0.625000 0.125000 Ru\n0.125000 0.625000 0.625000 Ru\n0.625000 0.625000 0.625000 Ru\n0.694057 0.694057 0.305943 O\n0.944057 0.555943 0.555943 O\n0.555943 0.944057 0.944057 O\n0.944057 0.944057 0.555943 O\n0.944057 0.555943 0.944057 O\n0.555943 0.944057 0.555943 O\n0.305943 0.694057 0.305943 O\n0.305943 0.694057 0.694057 O\n0.694057 0.305943 0.305943 O\n0.694057 0.305943 0.694057 O\n0.555943 0.555943 0.944057 O\n0.305943 0.305943 0.694057 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
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"elements": [
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"volume": 269.403141410771,
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"formula_full": "Cd4 Ru4 O14",
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},
{
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