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"results": [
{
"id": "mp-1245233",
"created_at": "2022-09-04T14:44:52.719310Z",
"structure_string": "Ga50 N50\n1.0\n12.051779 1.059540 -0.316223\n1.016798 11.393694 0.190829\n-0.282643 0.158223 12.087454\nGa N\n50 50\ndirect\n0.828868 0.720004 0.588653 Ga\n0.231578 0.310957 0.377723 Ga\n0.872969 0.279694 0.837609 Ga\n0.633371 0.707302 0.408079 Ga\n0.404115 0.182950 0.302125 Ga\n0.575997 0.693545 0.668224 Ga\n0.658928 0.888779 0.843212 Ga\n0.225240 0.574406 0.376968 Ga\n0.495799 0.335738 0.179060 Ga\n0.951778 0.698123 0.038575 Ga\n0.972823 0.816210 0.801012 Ga\n0.090172 0.873198 0.059572 Ga\n0.682612 0.538917 0.824296 Ga\n0.684421 0.286783 0.960363 Ga\n0.044037 0.220866 0.528127 Ga\n0.523319 0.724146 0.917403 Ga\n0.730139 0.132118 0.296571 Ga\n0.592146 0.522370 0.098538 Ga\n0.779932 0.605673 0.280422 Ga\n0.033205 0.107673 0.797721 Ga\n0.982092 0.080421 0.323121 Ga\n0.357897 0.608306 0.045542 Ga\n0.019896 0.366747 0.322139 Ga\n0.448971 0.590228 0.323028 Ga\n0.311537 0.629863 0.595672 Ga\n0.563800 0.016087 0.383758 Ga\n0.203701 0.036430 0.162199 Ga\n0.072727 0.585377 0.220616 Ga\n0.099465 0.760790 0.600774 Ga\n0.793034 0.028626 0.838909 Ga\n0.015608 0.408089 0.990968 Ga\n0.385276 0.809728 0.438071 Ga\n0.150450 0.571747 0.734478 Ga\n0.158078 0.441486 0.567476 Ga\n0.464352 0.889941 0.215632 Ga\n0.089469 0.133009 0.000953 Ga\n0.905283 0.860772 0.447894 Ga\n0.660466 0.808811 0.137318 Ga\n0.399790 0.898135 0.675046 Ga\n0.121943 0.817208 0.313472 Ga\n0.909716 0.089663 0.069364 Ga\n0.860881 0.864799 0.229182 Ga\n0.250574 0.090703 0.588335 Ga\n0.924789 0.567437 0.809874 Ga\n0.301641 0.787951 0.157146 Ga\n0.161199 0.605127 0.946498 Ga\n0.992696 0.971010 0.609127 Ga\n0.267617 0.008431 0.390699 Ga\n0.979588 0.598554 0.459319 Ga\n0.768064 0.649577 0.988186 Ga\n0.512992 0.289264 0.511632 N\n0.960972 0.372276 0.605381 N\n0.717613 0.417041 0.446382 N\n0.084519 0.095383 0.641334 N\n0.071426 0.736510 0.441444 N\n0.052965 0.766832 0.939905 N\n0.064285 0.544828 0.062259 N\n0.865002 0.725020 0.747232 N\n0.697794 0.956387 0.613097 N\n0.427189 0.434951 0.849409 N\n0.940461 0.537114 0.305362 N\n0.650742 0.798251 0.975235 N\n0.276552 0.259247 0.791765 N\n0.597445 0.359531 0.066932 N\n0.412836 0.981964 0.961782 N\n0.186364 0.297006 0.803233 N\n0.600832 0.075847 0.123133 N\n0.762240 0.183241 0.657360 N\n0.194551 0.269479 0.533921 N\n0.700963 0.617885 0.134872 N\n0.329172 0.277685 0.058294 N\n0.262741 0.354522 0.027506 N\n0.497023 0.161173 0.719007 N\n0.018755 0.780130 0.184207 N\n0.256055 0.842378 0.784533 N\n0.290333 0.733166 0.318438 N\n0.680460 0.699283 0.559566 N\n0.522936 0.855217 0.376070 N\n0.236174 0.867206 0.871866 N\n0.863740 0.318711 0.146763 N\n0.794615 0.172333 0.572001 N\n0.933785 0.985578 0.767449 N\n0.619723 0.996461 0.560283 N\n0.965430 0.230851 0.388765 N\n0.346298 0.038861 0.246358 N\n0.127978 0.989075 0.302280 N\n0.447764 0.466068 0.765462 N\n0.796531 0.342609 0.208488 N\n0.911089 0.395825 0.683775 N\n0.800167 0.149608 0.945174 N\n0.863563 0.046357 0.215630 N\n0.444524 0.360966 0.536405 N\n0.694101 0.427362 0.534187 N\n0.349803 0.062794 0.935658 N\n0.451149 0.518873 0.174894 N\n0.416241 0.741651 0.592208 N\n0.532204 0.830472 0.771623 N\n0.593023 0.090942 0.030464 N\n0.548659 0.178669 0.793692 N\n0.729701 0.375460 0.844114 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.2253443518782525,
"density_atomic": 0.060780388453022687,
"volume": 1645.267536868249,
"volume_molar": 9.908032694879084,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -569.02585833,
"energy_per_atom": -5.6902585833,
"energy_above_hull": null,
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"energy_uncorrected": -550.97585833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.744000Z",
"spacegroup": 1
},
{
"id": "mp-20814",
"created_at": "2022-09-04T14:44:52.861146Z",
"structure_string": "Dy2 B4 C4\n1.0\n3.795447 0.000000 0.000000\n0.000000 3.795447 0.000000\n0.000000 0.000000 7.205744\nDy B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Dy\n0.000000 0.000000 0.250000 Dy\n0.784979 0.500000 0.500000 B\n0.500000 0.784979 0.000000 B\n0.215021 0.500000 0.500000 B\n0.500000 0.215021 0.000000 B\n0.500000 0.812595 0.500000 C\n0.812595 0.500000 0.000000 C\n0.187405 0.500000 0.000000 C\n0.500000 0.187405 0.500000 C\n",
"nsites": 10,
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"elements": [
"Dy",
"B",
"C"
],
"chemical_system": "B-C-Dy",
"density": 6.659429815997838,
"density_atomic": 0.09633748595232655,
"volume": 103.80175381521362,
"volume_molar": 6.251087726100835,
"formula_full": "Dy2 B4 C4",
"formula_reduced": "Dy(BC)2",
"formula_anonymous": "AB2C2",
"energy": -75.86411024,
"energy_per_atom": -7.586411024,
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"updated_at": "2021-11-28T01:36:41.550000Z",
"spacegroup": 131
},
{
"id": "mp-758430",
"created_at": "2022-09-04T14:44:52.862735Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n5.087253 0.000000 0.000000\n0.000000 8.305807 0.000000\n0.000000 2.959175 8.171130\nLi Cu P O\n4 4 4 16\ndirect\n0.839117 0.094092 0.019715 Li\n0.324150 0.267899 0.494986 Li\n0.160883 0.594092 0.019715 Li\n0.675850 0.767899 0.494986 Li\n0.671699 0.997227 0.746778 Cu\n0.812802 0.330122 0.270602 Cu\n0.328301 0.497227 0.746778 Cu\n0.187198 0.830122 0.270602 Cu\n0.327043 0.222362 0.136784 P\n0.834251 0.370890 0.630823 P\n0.672957 0.722362 0.136784 P\n0.165749 0.870890 0.630823 P\n0.195464 0.063522 0.113453 O\n0.313001 0.022824 0.657523 O\n0.626974 0.188138 0.163620 O\n0.204332 0.261038 0.284710 O\n0.812219 0.208504 0.784619 O\n0.706637 0.326153 0.487171 O\n0.804536 0.563522 0.113453 O\n0.126941 0.421441 0.588226 O\n0.271843 0.379587 0.982192 O\n0.686999 0.522824 0.657523 O\n0.373026 0.688138 0.163620 O\n0.795668 0.761038 0.284710 O\n0.187781 0.708504 0.784619 O\n0.293363 0.826153 0.487171 O\n0.873059 0.921441 0.588226 O\n0.728157 0.879587 0.982192 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.1831017216490536,
"density_atomic": 0.08109811119401361,
"volume": 345.26081542164036,
"volume_molar": 7.425747247791062,
"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy": -185.7868238,
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"updated_at": "2021-11-28T01:36:43.979000Z",
"spacegroup": 7
},
{
"id": "mp-21441",
"created_at": "2022-09-04T14:44:52.865435Z",
"structure_string": "Ce4 Si4 Ir4\n1.0\n6.334098 0.000000 0.000000\n0.000000 6.334098 0.000000\n0.000000 0.000000 6.334098\nCe Si Ir\n4 4 4\ndirect\n0.376587 0.123413 0.876587 Ce\n0.623413 0.623413 0.623413 Ce\n0.123413 0.876587 0.376587 Ce\n0.876587 0.376587 0.123413 Ce\n0.083681 0.416319 0.583681 Si\n0.583681 0.083681 0.416319 Si\n0.416319 0.583681 0.083681 Si\n0.916319 0.916319 0.916319 Si\n0.312081 0.312081 0.312081 Ir\n0.812081 0.187919 0.687919 Ir\n0.187919 0.687919 0.812081 Ir\n0.687919 0.812081 0.187919 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ir"
],
"chemical_system": "Ce-Ir-Si",
"density": 9.42023698392472,
"density_atomic": 0.04722010090715975,
"volume": 254.12906303596014,
"volume_molar": 12.753341573412207,
"formula_full": "Ce4 Si4 Ir4",
"formula_reduced": "CeSiIr",
"formula_anonymous": "ABC",
"energy": -91.77573354,
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"updated_at": "2021-11-28T01:36:43.003000Z",
"spacegroup": 198
},
{
"id": "mp-1199823",
"created_at": "2022-09-04T14:44:52.913059Z",
"structure_string": "Na12 Fe4 C24 O68\n1.0\n6.561890 8.547670 0.000000\n-6.561890 8.547670 0.000000\n0.000000 3.195687 13.846420\nNa Fe C O\n12 4 24 68\ndirect\n0.731249 0.268751 0.750000 Na\n0.268751 0.731249 0.250000 Na\n0.001661 0.998339 0.750000 Na\n0.998339 0.001661 0.250000 Na\n0.772602 0.962616 0.026905 Na\n0.037384 0.227398 0.473095 Na\n0.227398 0.037384 0.973095 Na\n0.962616 0.772602 0.526905 Na\n0.584001 0.323518 0.002498 Na\n0.676482 0.415999 0.497502 Na\n0.415999 0.676482 0.997502 Na\n0.323518 0.584001 0.502498 Na\n0.441365 0.181494 0.243740 Fe\n0.818506 0.558635 0.256260 Fe\n0.558635 0.818506 0.756260 Fe\n0.181494 0.441365 0.743740 Fe\n0.276638 0.048362 0.186621 C\n0.951638 0.723362 0.313379 C\n0.723362 0.951638 0.813379 C\n0.048362 0.276638 0.686621 C\n0.300320 0.989637 0.293363 C\n0.010363 0.699680 0.206637 C\n0.699680 0.010363 0.706637 C\n0.989637 0.300320 0.793363 C\n0.393305 0.445165 0.186307 C\n0.554835 0.606695 0.313693 C\n0.606695 0.554835 0.813693 C\n0.445165 0.393305 0.686307 C\n0.295237 0.422917 0.278162 C\n0.577083 0.704763 0.221838 C\n0.704763 0.577083 0.721838 C\n0.422917 0.295237 0.778162 C\n0.704894 0.041164 0.217723 C\n0.958836 0.295106 0.282277 C\n0.295106 0.958836 0.782277 C\n0.041164 0.704894 0.717723 C\n0.689120 0.108073 0.310892 C\n0.891927 0.310880 0.189108 C\n0.310880 0.891927 0.689108 C\n0.108073 0.689120 0.810892 C\n0.508159 0.055721 0.994055 O\n0.944279 0.491841 0.505945 O\n0.491841 0.944279 0.005945 O\n0.055721 0.508159 0.494055 O\n0.792616 0.191948 0.017463 O\n0.808052 0.207384 0.482537 O\n0.207384 0.808052 0.982537 O\n0.191948 0.792616 0.517463 O\n0.682135 0.565608 0.008788 O\n0.434392 0.317865 0.491212 O\n0.317865 0.434392 0.991212 O\n0.565608 0.682135 0.508788 O\n0.811818 0.699188 0.988351 O\n0.300812 0.188182 0.511649 O\n0.188182 0.300812 0.011649 O\n0.699188 0.811818 0.488351 O\n0.797332 0.587238 0.981376 O\n0.412762 0.202668 0.518624 O\n0.202668 0.412762 0.018624 O\n0.587238 0.797332 0.481376 O\n0.327827 0.144021 0.151812 O\n0.855979 0.672173 0.348188 O\n0.672173 0.855979 0.848188 O\n0.144021 0.327827 0.651812 O\n0.381731 0.033216 0.326443 O\n0.966784 0.618269 0.173557 O\n0.618269 0.966784 0.673557 O\n0.033216 0.381731 0.826443 O\n0.787001 0.001411 0.855473 O\n0.998589 0.212999 0.644527 O\n0.212999 0.998589 0.144527 O\n0.001411 0.787001 0.355473 O\n0.759275 0.093028 0.662308 O\n0.906972 0.240725 0.837692 O\n0.240725 0.906972 0.337692 O\n0.093028 0.759275 0.162308 O\n0.469581 0.340283 0.157167 O\n0.659717 0.530419 0.342833 O\n0.530419 0.659717 0.842833 O\n0.340283 0.469581 0.657167 O\n0.297959 0.301675 0.310234 O\n0.698325 0.702041 0.189766 O\n0.702041 0.698325 0.689766 O\n0.301675 0.297959 0.810234 O\n0.605807 0.443472 0.854883 O\n0.556528 0.394193 0.645117 O\n0.394193 0.556528 0.145117 O\n0.443472 0.605807 0.354883 O\n0.778156 0.483700 0.686077 O\n0.516300 0.221844 0.813923 O\n0.221844 0.516300 0.313923 O\n0.483700 0.778156 0.186077 O\n0.601958 0.071772 0.175470 O\n0.928228 0.398042 0.324530 O\n0.398042 0.928228 0.824530 O\n0.071772 0.601958 0.675470 O\n0.576956 0.180245 0.331508 O\n0.819755 0.423044 0.168492 O\n0.423044 0.819755 0.668492 O\n0.180245 0.576956 0.831508 O\n0.190710 0.030670 0.812534 O\n0.969330 0.809290 0.687466 O\n0.809290 0.969330 0.187466 O\n0.030670 0.190710 0.312534 O\n0.213024 0.912838 0.647374 O\n0.087162 0.786976 0.852626 O\n0.786976 0.087162 0.352626 O\n0.912838 0.213024 0.147374 O\n",
"nsites": 108,
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"elements": [
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"O"
],
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"volume": 1553.2601108961885,
"volume_molar": 8.661065763620423,
"formula_full": "Na12 Fe4 C24 O68",
"formula_reduced": "Na3FeC6O17",
"formula_anonymous": "AB3C6D17",
"energy": -702.59429469,
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"spacegroup": 15
},
{
"id": "mp-756481",
"created_at": "2022-09-04T14:44:52.941520Z",
"structure_string": "Na4 Fe2 B2 P2 O14\n1.0\n9.079687 0.000000 -0.007533\n0.000000 6.644498 0.000000\n0.128441 0.000000 5.285619\nNa Fe B P O\n4 2 2 2 14\ndirect\n0.233724 0.496527 0.238289 Na\n0.233724 0.003473 0.238289 Na\n0.766276 0.503473 0.761711 Na\n0.766276 0.996527 0.761711 Na\n0.349933 0.750000 0.779277 Fe\n0.650067 0.250000 0.220723 Fe\n0.081313 0.750000 0.726936 B\n0.918687 0.250000 0.273064 B\n0.427666 0.250000 0.722524 P\n0.572334 0.750000 0.277476 P\n0.064775 0.250000 0.299679 O\n0.146883 0.750000 0.959073 O\n0.186158 0.750000 0.531986 O\n0.336568 0.060281 0.789882 O\n0.336568 0.439719 0.789882 O\n0.425127 0.750000 0.131906 O\n0.465794 0.250000 0.430675 O\n0.534206 0.750000 0.569325 O\n0.574873 0.250000 0.868094 O\n0.663432 0.560281 0.210118 O\n0.663432 0.939719 0.210118 O\n0.813842 0.250000 0.468014 O\n0.853117 0.250000 0.040927 O\n0.935225 0.750000 0.700321 O\n",
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"formula_full": "Na4 Fe2 B2 P2 O14",
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"updated_at": "2021-11-28T01:36:42.266000Z",
"spacegroup": 11
},
{
"id": "mp-1120447",
"created_at": "2022-09-04T14:44:52.948138Z",
"structure_string": "Si8\n1.0\n-5.047026 0.000000 0.000000\n-0.586684 -5.401043 0.000000\n2.269856 2.075411 6.179149\nSi\n8\ndirect\n0.757538 0.979653 0.117539 Si\n0.447467 0.795478 0.743508 Si\n0.755446 0.425250 0.308223 Si\n0.066436 0.786301 0.893959 Si\n0.451868 0.774605 0.245690 Si\n0.751369 0.441310 0.652432 Si\n0.051034 0.781274 0.390390 Si\n0.751409 0.000983 0.625969 Si\n",
"nsites": 8,
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"elements": [
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"formula_full": "Si8",
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