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{
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"results": [
{
"id": "mp-1174544",
"created_at": "2022-09-04T14:41:30.020659Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n-2.944711 0.000000 0.000000\n1.331181 4.923637 0.000000\n-0.355351 -1.565814 -17.198819\nLi Mn Co O\n8 2 4 14\ndirect\n0.368475 0.225126 0.214827 Li\n0.924305 0.353169 0.356411 Li\n0.500000 0.500000 0.500000 Li\n0.075695 0.646831 0.643589 Li\n0.631525 0.774874 0.785173 Li\n0.234168 0.934524 0.937012 Li\n0.765832 0.065476 0.062988 Li\n0.500000 0.500000 0.000000 Li\n0.071345 0.646269 0.138873 Mn\n0.928655 0.353731 0.861127 Mn\n0.629690 0.780496 0.288437 Co\n0.208218 0.929226 0.428719 Co\n0.791782 0.070774 0.571281 Co\n0.370310 0.219504 0.711563 Co\n0.682898 0.897442 0.180254 O\n0.262437 0.053647 0.325395 O\n0.873931 0.190912 0.468094 O\n0.461164 0.342030 0.607655 O\n0.995183 0.481189 0.751203 O\n0.538406 0.601631 0.887359 O\n0.142414 0.786647 0.045083 O\n0.004817 0.518811 0.248797 O\n0.538836 0.657970 0.392345 O\n0.126069 0.809088 0.531906 O\n0.737563 0.946353 0.674605 O\n0.317102 0.102558 0.819746 O\n0.857586 0.213353 0.954917 O\n0.461594 0.398369 0.112641 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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"spacegroup": 2
},
{
"id": "mp-9844",
"created_at": "2022-09-04T14:41:30.029228Z",
"structure_string": "Ba1 Al2 B2 O7\n1.0\n8.438917 -2.527028 0.000000\n8.438917 2.527028 0.000000\n7.682200 0.000000 4.311032\nBa Al B O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Ba\n0.567825 0.567825 0.567825 Al\n0.432175 0.432175 0.432175 Al\n0.737775 0.737775 0.737775 B\n0.262225 0.262225 0.262225 B\n0.959408 0.483738 0.352316 O\n0.483738 0.352316 0.959408 O\n0.352316 0.959408 0.483738 O\n0.500000 0.500000 0.500000 O\n0.516262 0.040592 0.647684 O\n0.040592 0.647684 0.516262 O\n0.647684 0.516262 0.040592 O\n",
"nsites": 12,
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"elements": [
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"B",
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],
"chemical_system": "Al-B-Ba-O",
"density": 2.934278466072675,
"density_atomic": 0.06526393183242821,
"volume": 183.86878729297558,
"volume_molar": 9.227364320406652,
"formula_full": "Ba1 Al2 B2 O7",
"formula_reduced": "BaAl2B2O7",
"formula_anonymous": "AB2C2D7",
"energy": -96.43199192999998,
"energy_per_atom": -8.035999327499999,
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"updated_at": "2021-11-28T01:35:19.205000Z",
"spacegroup": 155
},
{
"id": "mp-1032336",
"created_at": "2022-09-04T14:41:30.045427Z",
"structure_string": "Mg6 V1 Co1 O8\n1.0\n8.618228 0.000000 0.000000\n0.000000 4.275551 0.000000\n0.000000 0.000000 4.275551\nMg V Co O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251105 0.000000 0.500000 Mg\n0.748895 0.000000 0.500000 Mg\n0.251105 0.500000 0.000000 Mg\n0.748895 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.254700 0.000000 0.000000 O\n0.745300 0.000000 0.000000 O\n0.253060 0.500000 0.500000 O\n0.746940 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Co-Mg-O-V",
"density": 4.044255790963352,
"density_atomic": 0.1015588608427137,
"volume": 157.54410661202206,
"volume_molar": 5.9297049120377725,
"formula_full": "Mg6 V1 Co1 O8",
"formula_reduced": "Mg6VCoO8",
"formula_anonymous": "ABC6D8",
"energy": -108.21808928,
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"spacegroup": 123
},
{
"id": "mp-1174602",
"created_at": "2022-09-04T14:41:29.941088Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.554971 0.000000 0.000000\n2.016648 6.278280 0.000000\n2.092502 1.482380 6.100823\nLi Mn Co O\n8 2 4 14\ndirect\n0.923971 0.221312 0.347040 Li\n0.215502 0.358806 0.933258 Li\n0.505026 0.497863 0.492700 Li\n0.641982 0.072847 0.786248 Li\n0.360508 0.930032 0.216015 Li\n0.070312 0.782316 0.646425 Li\n0.780532 0.636138 0.077828 Li\n0.570785 0.285506 0.147432 Li\n0.996450 0.001928 0.002460 Mn\n0.289068 0.143155 0.565096 Mn\n0.852202 0.429466 0.721074 Co\n0.152860 0.567187 0.282088 Co\n0.433467 0.702285 0.860508 Co\n0.712181 0.863657 0.424289 Co\n0.903605 0.299699 0.024329 O\n0.173534 0.444791 0.606184 O\n0.446344 0.613910 0.175491 O\n0.583520 0.170197 0.475708 O\n0.308670 0.025669 0.877966 O\n0.029341 0.899298 0.298516 O\n0.748798 0.748689 0.732679 O\n0.975851 0.105277 0.695918 O\n0.247258 0.247554 0.276227 O\n0.543150 0.414354 0.814957 O\n0.701735 0.959703 0.113194 O\n0.389245 0.843107 0.537805 O\n0.107905 0.692400 0.970215 O\n0.836197 0.542853 0.398351 O\n",
"nsites": 28,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.134457150972385,
"density_atomic": 0.11152138411846137,
"volume": 251.0729240076285,
"volume_molar": 5.399987462138293,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.01596202,
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"updated_at": "2021-11-28T01:35:22.901000Z",
"spacegroup": 1
},
{
"id": "mp-30158",
"created_at": "2022-09-04T14:41:29.947864Z",
"structure_string": "Sr6 Ga8 O18\n1.0\n6.824666 0.000000 0.000000\n2.191024 7.835584 0.000000\n2.950911 0.077686 9.381737\nSr Ga O\n6 8 18\ndirect\n0.814727 0.431895 0.323606 Sr\n0.185273 0.568105 0.676394 Sr\n0.687884 0.787063 0.040809 Sr\n0.312116 0.212937 0.959191 Sr\n0.058062 0.052355 0.689156 Sr\n0.941938 0.947645 0.310844 Sr\n0.251398 0.747401 0.942930 Ga\n0.748602 0.252599 0.057070 Ga\n0.665148 0.447708 0.765639 Ga\n0.334852 0.552292 0.234361 Ga\n0.390540 0.171902 0.301017 Ga\n0.609460 0.828098 0.698983 Ga\n0.560765 0.193833 0.581145 Ga\n0.439235 0.806167 0.418855 Ga\n0.592061 0.197714 0.385256 O\n0.407939 0.802286 0.614744 O\n0.786375 0.259759 0.861589 O\n0.213625 0.740241 0.138411 O\n0.561086 0.105197 0.114342 O\n0.438914 0.894803 0.885658 O\n0.700747 0.361938 0.587066 O\n0.299253 0.638062 0.412934 O\n0.241814 0.016216 0.398059 O\n0.758186 0.983784 0.601941 O\n0.708709 0.757733 0.297677 O\n0.291291 0.242267 0.702323 O\n0.980645 0.184553 0.124078 O\n0.019355 0.815447 0.875922 O\n0.376597 0.520049 0.869843 O\n0.623403 0.479951 0.130157 O\n0.796096 0.625151 0.733295 O\n0.203904 0.374849 0.266705 O\n",
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"density": 4.539486505948953,
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"volume": 501.69067254450755,
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"formula_full": "Sr6 Ga8 O18",
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"formula_anonymous": "A3B4C9",
"energy": -210.55491692,
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"spacegroup": 2
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{
"id": "mp-687255",
"created_at": "2022-09-04T14:41:29.959820Z",
"structure_string": "K10 Ce2 Fe4 N24 O48\n1.0\n10.504456 0.000000 0.000000\n0.000000 10.504456 0.000000\n0.000000 0.000000 10.504456\nK Ce Fe N O\n10 2 4 24 48\ndirect\n0.250000 0.250000 0.750000 K\n0.250000 0.750000 0.250000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.250000 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.250000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.252642 0.255279 0.437905 N\n0.562095 0.747358 0.255279 N\n0.437905 0.747358 0.744721 N\n0.255279 0.562095 0.747358 N\n0.747358 0.744721 0.437905 N\n0.755279 0.062095 0.752642 N\n0.062095 0.752642 0.755279 N\n0.562095 0.252642 0.744721 N\n0.255279 0.437905 0.252642 N\n0.752642 0.244721 0.937905 N\n0.744721 0.562095 0.252642 N\n0.247358 0.244721 0.062095 N\n0.252642 0.744721 0.562095 N\n0.755279 0.937905 0.247358 N\n0.437905 0.252642 0.255279 N\n0.244721 0.937905 0.752642 N\n0.244721 0.062095 0.247358 N\n0.937905 0.752642 0.244721 N\n0.744721 0.437905 0.747358 N\n0.747358 0.255279 0.562095 N\n0.247358 0.755279 0.937905 N\n0.752642 0.755279 0.062095 N\n0.937905 0.247358 0.755279 N\n0.062095 0.247358 0.244721 N\n0.255766 0.000731 0.652337 O\n0.755766 0.500731 0.847663 O\n0.152337 0.755766 0.499269 O\n0.999269 0.347663 0.255766 O\n0.652337 0.255766 0.000731 O\n0.999805 0.855917 0.227149 O\n0.144083 0.227149 0.000195 O\n0.727149 0.500195 0.355917 O\n0.347663 0.744234 0.000731 O\n0.772851 0.999805 0.144083 O\n0.847663 0.755766 0.500731 O\n0.144083 0.772851 0.999805 O\n0.499269 0.152337 0.755766 O\n0.644083 0.727149 0.499805 O\n0.772851 0.000195 0.855917 O\n0.652337 0.744234 0.999269 O\n0.644083 0.272851 0.500195 O\n0.000731 0.652337 0.255766 O\n0.847663 0.244234 0.499269 O\n0.855917 0.772851 0.000195 O\n0.272851 0.500195 0.644083 O\n0.000731 0.347663 0.744234 O\n0.999805 0.144083 0.772851 O\n0.499269 0.847663 0.244234 O\n0.755766 0.499269 0.152337 O\n0.000195 0.144083 0.227149 O\n0.152337 0.244234 0.500731 O\n0.744234 0.000731 0.347663 O\n0.347663 0.255766 0.999269 O\n0.272851 0.499805 0.355917 O\n0.500195 0.355917 0.727149 O\n0.355917 0.727149 0.500195 O\n0.999269 0.652337 0.744234 O\n0.499805 0.644083 0.727149 O\n0.500731 0.847663 0.755766 O\n0.255766 0.999269 0.347663 O\n0.500195 0.644083 0.272851 O\n0.500731 0.152337 0.244234 O\n0.744234 0.999269 0.652337 O\n0.244234 0.499269 0.847663 O\n0.855917 0.227149 0.999805 O\n0.000195 0.855917 0.772851 O\n0.227149 0.000195 0.144083 O\n0.355917 0.272851 0.499805 O\n0.244234 0.500731 0.152337 O\n0.727149 0.499805 0.644083 O\n0.499805 0.355917 0.272851 O\n0.227149 0.999805 0.855917 O\n",
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"formula_full": "K10 Ce2 Fe4 N24 O48",
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{
"id": "mp-867874",
"created_at": "2022-09-04T14:41:29.961771Z",
"structure_string": "Be1 V1 Ru2\n1.0\n0.000000 2.917066 2.917066\n2.917066 0.000000 2.917066\n2.917066 2.917066 0.000000\nBe V Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Be1 V1 Ru2",
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{
"id": "mp-1225610",
"created_at": "2022-09-04T14:41:29.964390Z",
"structure_string": "Er4 Cu5 P7\n1.0\n-2.629543 2.629543 9.553096\n2.629543 -2.629543 9.553096\n2.629543 2.629543 -9.553096\nEr Cu P\n4 5 7\ndirect\n0.624749 0.144593 0.000000 Er\n0.144593 0.624749 0.000000 Er\n0.375251 0.375251 0.519844 Er\n0.855407 0.855407 0.480156 Er\n0.749674 0.749674 0.000000 Cu\n0.250326 0.250326 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.415462 0.924807 0.000000 P\n0.924807 0.415462 0.000000 P\n0.584538 0.584538 0.509346 P\n0.075193 0.075193 0.490654 P\n0.500000 0.500000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 P\n",
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{
"id": "mp-1103821",
"created_at": "2022-09-04T14:41:29.964307Z",
"structure_string": "Cu5 Sn2 Te7\n1.0\n3.062749 6.840516 0.000000\n-3.062749 6.840516 0.000000\n0.000000 1.384013 9.612633\nCu Sn Te\n5 2 7\ndirect\n0.732319 0.267681 0.500000 Cu\n0.885249 0.405689 0.073040 Cu\n0.594311 0.114751 0.926960 Cu\n0.448380 0.979842 0.358152 Cu\n0.020158 0.551620 0.641848 Cu\n0.148918 0.702952 0.223703 Sn\n0.297048 0.851082 0.776297 Sn\n0.518645 0.481355 0.000000 Te\n0.354354 0.348274 0.445702 Te\n0.651726 0.645646 0.554298 Te\n0.047078 0.119434 0.292639 Te\n0.880566 0.952922 0.707361 Te\n0.738042 0.810792 0.138237 Te\n0.189208 0.261958 0.861763 Te\n",
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"formula_full": "Cu5 Sn2 Te7",
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