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{
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"results": [
{
"id": "mp-1185918",
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"structure_string": "Mg1 In5\n1.0\n1.762251 5.882944 0.000000\n-1.762251 5.882944 0.000000\n0.000000 2.687476 7.661007\nMg In\n1 5\ndirect\n0.610315 0.610315 0.277929 Mg\n0.002502 0.002502 0.008475 In\n0.284008 0.284008 0.944276 In\n0.663528 0.663528 0.670832 In\n0.946337 0.946337 0.600326 In\n0.326641 0.326641 0.331495 In\n",
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{
"id": "mp-1187865",
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"structure_string": "Y1 Tm1 Ru2\n1.0\n0.000000 3.381566 3.381566\n3.381566 0.000000 3.381566\n3.381566 3.381566 0.000000\nY Tm Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "mp-1045620",
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"structure_string": "Ba4 Zn2 Cu6 F28\n1.0\n2.642762 6.915391 0.000000\n-2.642762 6.915391 0.000000\n0.000000 0.338555 14.558582\nBa Zn Cu F\n4 2 6 28\ndirect\n0.119041 0.263355 0.876896 Ba\n0.263355 0.119041 0.376896 Ba\n0.880959 0.736645 0.123104 Ba\n0.736645 0.880959 0.623104 Ba\n0.423339 0.576661 0.750000 Zn\n0.576661 0.423339 0.250000 Zn\n0.100689 0.138147 0.627451 Cu\n0.899311 0.861853 0.372549 Cu\n0.138147 0.100689 0.127451 Cu\n0.861853 0.899311 0.872549 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.898806 0.085397 0.160823 F\n0.851145 0.406934 0.043303 F\n0.148855 0.593066 0.956697 F\n0.662829 0.837840 0.903710 F\n0.607545 0.494391 0.877147 F\n0.505609 0.392455 0.622853 F\n0.406934 0.851145 0.543303 F\n0.914603 0.101194 0.339177 F\n0.366984 0.960283 0.725255 F\n0.337171 0.162160 0.096290 F\n0.806655 0.425150 0.710406 F\n0.162160 0.337171 0.596290 F\n0.425150 0.806655 0.210406 F\n0.193345 0.574850 0.289594 F\n0.494391 0.607545 0.377147 F\n0.633016 0.039717 0.274745 F\n0.131626 0.708800 0.481585 F\n0.101194 0.914603 0.839177 F\n0.868374 0.291200 0.518415 F\n0.708800 0.131626 0.981585 F\n0.593066 0.148855 0.456697 F\n0.574850 0.193345 0.789594 F\n0.960283 0.366984 0.225255 F\n0.291200 0.868374 0.018415 F\n0.392455 0.505609 0.122853 F\n0.085397 0.898806 0.660823 F\n0.039717 0.633016 0.774745 F\n0.837840 0.662829 0.403710 F\n",
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"formula_full": "Ba4 Zn2 Cu6 F28",
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"spacegroup": 15
},
{
"id": "mp-1246030",
"created_at": "2022-09-04T14:43:42.148337Z",
"structure_string": "Mn40 Cr4 N36\n1.0\n6.438130 0.000000 0.436549\n0.000000 7.596742 0.000000\n-3.354919 0.000000 15.460150\nMn Cr N\n40 4 36\ndirect\n0.451024 0.851289 0.100928 Mn\n0.548976 0.351289 0.399072 Mn\n0.548976 0.148711 0.899072 Mn\n0.451024 0.648711 0.600928 Mn\n0.545086 0.121527 0.574732 Mn\n0.454914 0.621527 0.925268 Mn\n0.454914 0.878473 0.425268 Mn\n0.545086 0.378473 0.074732 Mn\n0.802079 0.815474 0.717439 Mn\n0.197921 0.315474 0.782561 Mn\n0.197921 0.184526 0.282561 Mn\n0.802079 0.684526 0.217439 Mn\n0.750201 0.326288 0.719123 Mn\n0.249799 0.826288 0.780877 Mn\n0.249799 0.673712 0.280877 Mn\n0.750201 0.173712 0.219123 Mn\n0.727968 0.427787 0.868185 Mn\n0.272032 0.927787 0.631815 Mn\n0.272032 0.572213 0.131815 Mn\n0.727968 0.072213 0.368185 Mn\n0.930974 0.139358 0.863227 Mn\n0.069026 0.639358 0.636773 Mn\n0.069026 0.860642 0.136773 Mn\n0.930974 0.360642 0.363227 Mn\n0.979140 0.126695 0.638579 Mn\n0.020860 0.626695 0.861421 Mn\n0.020860 0.873305 0.361421 Mn\n0.979140 0.373305 0.138579 Mn\n0.239773 0.378492 0.597518 Mn\n0.760227 0.878492 0.902482 Mn\n0.760227 0.621508 0.402482 Mn\n0.239773 0.121508 0.097518 Mn\n0.527642 0.041666 0.756699 Mn\n0.472358 0.541666 0.743301 Mn\n0.472358 0.958334 0.243301 Mn\n0.527642 0.458334 0.256699 Mn\n0.754922 0.794939 0.544372 Mn\n0.245078 0.294939 0.955628 Mn\n0.245078 0.205061 0.455628 Mn\n0.754922 0.705061 0.044372 Mn\n0.770878 0.452664 0.569069 Cr\n0.229122 0.952664 0.930931 Cr\n0.229122 0.547336 0.430931 Cr\n0.770878 0.047336 0.069069 Cr\n0.538064 0.405044 0.624055 N\n0.461936 0.905044 0.875945 N\n0.461936 0.594956 0.375945 N\n0.538064 0.094956 0.124055 N\n0.519659 0.288577 0.796018 N\n0.480341 0.788577 0.703982 N\n0.480341 0.711423 0.203982 N\n0.519659 0.211423 0.296018 N\n0.812503 0.095576 0.960038 N\n0.187497 0.595576 0.539962 N\n0.187497 0.904424 0.039962 N\n0.812503 0.404424 0.460038 N\n0.479347 0.869395 0.548070 N\n0.520653 0.369395 0.951930 N\n0.520653 0.130605 0.451930 N\n0.479347 0.630605 0.048070 N\n0.725840 0.077606 0.683362 N\n0.274160 0.577606 0.816638 N\n0.274160 0.922394 0.316638 N\n0.725840 0.422394 0.183363 N\n0.993944 0.397866 0.659499 N\n0.006056 0.897866 0.840501 N\n0.006056 0.602134 0.340501 N\n0.993944 0.102134 0.159499 N\n0.022137 0.368615 0.879466 N\n0.977863 0.868615 0.620534 N\n0.977863 0.631385 0.120534 N\n0.022137 0.131385 0.379466 N\n0.223125 0.140680 0.567500 N\n0.776875 0.640680 0.932500 N\n0.776875 0.859320 0.432500 N\n0.223125 0.359320 0.067500 N\n0.226415 0.060868 0.731583 N\n0.773585 0.560868 0.768417 N\n0.773585 0.939132 0.268417 N\n0.226415 0.439132 0.231583 N\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"Cr",
"N"
],
"chemical_system": "Cr-Mn-N",
"density": 6.297377881601945,
"density_atomic": 0.10426663437526748,
"volume": 767.2636647316235,
"volume_molar": 5.775712236309107,
"formula_full": "Mn40 Cr4 N36",
"formula_reduced": "Mn10CrN9",
"formula_anonymous": "AB9C10",
"energy": -727.50248038,
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},
{
"id": "mp-1094598",
"created_at": "2022-09-04T14:43:42.299493Z",
"structure_string": "Li6 Mg2\n1.0\n3.063632 -5.306366 0.000000\n3.063632 5.306366 0.000000\n0.000000 0.000000 4.915538\nLi Mg\n6 2\ndirect\n0.327767 0.163884 0.250000 Li\n0.836116 0.163884 0.250000 Li\n0.836116 0.672233 0.250000 Li\n0.672233 0.836116 0.750000 Li\n0.163884 0.327767 0.750000 Li\n0.163884 0.836116 0.750000 Li\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
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"elements": [
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],
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"volume": 159.82137112318205,
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"formula_full": "Li6 Mg2",
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{
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"structure_string": "Hf16 Rh8\n1.0\n0.000000 6.175296 6.175296\n6.175296 0.000000 6.175296\n6.175296 6.175296 0.000000\nHf Rh\n16 8\ndirect\n0.125000 0.625000 0.625000 Hf\n0.625000 0.125000 0.625000 Hf\n0.625000 0.625000 0.125000 Hf\n0.625000 0.625000 0.625000 Hf\n0.814145 0.814145 0.185855 Hf\n0.185855 0.185855 0.814145 Hf\n0.814145 0.185855 0.814145 Hf\n0.185855 0.814145 0.185855 Hf\n0.185855 0.814145 0.814145 Hf\n0.814145 0.185855 0.185855 Hf\n0.435855 0.435855 0.064145 Hf\n0.064145 0.064145 0.435855 Hf\n0.435855 0.064145 0.435855 Hf\n0.064145 0.435855 0.064145 Hf\n0.064145 0.435855 0.435855 Hf\n0.435855 0.064145 0.064145 Hf\n0.790212 0.403263 0.403263 Rh\n0.403263 0.790212 0.403263 Rh\n0.403263 0.403263 0.790212 Rh\n0.403263 0.403263 0.403263 Rh\n0.459788 0.846737 0.846737 Rh\n0.846737 0.459788 0.846737 Rh\n0.846737 0.846737 0.459788 Rh\n0.846737 0.846737 0.846737 Rh\n",
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{
"id": "mp-1100190",
"created_at": "2022-09-04T14:43:42.481718Z",
"structure_string": "Li3 Mg3\n1.0\n1.573746 5.616324 0.000000\n-1.573746 5.616324 0.000000\n0.000000 2.154951 7.101188\nLi Mg\n3 3\ndirect\n0.611512 0.611512 0.277047 Li\n0.332765 0.332765 0.334627 Li\n0.945816 0.945816 0.608419 Li\n0.997504 0.997504 0.008875 Mg\n0.666821 0.666821 0.660880 Mg\n0.278914 0.278914 0.943484 Mg\n",
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{
"id": "mp-972396",
"created_at": "2022-09-04T14:44:05.069844Z",
"structure_string": "Ti2 Mn1 Re1\n1.0\n0.000000 3.060792 3.060792\n3.060792 0.000000 3.060792\n3.060792 3.060792 0.000000\nTi Mn Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n",
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"formula_full": "Ti2 Mn1 Re1",
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{
"id": "mp-1195540",
"created_at": "2022-09-04T14:43:42.003604Z",
"structure_string": "Dy6 Al24 Ru8\n1.0\n4.399576 -7.620289 0.000000\n4.399576 7.620289 0.000000\n0.000000 0.000000 9.553734\nDy Al Ru\n6 24 8\ndirect\n0.193043 0.806957 0.250000 Dy\n0.193043 0.386086 0.250000 Dy\n0.613914 0.806957 0.250000 Dy\n0.806957 0.193043 0.750000 Dy\n0.806957 0.613914 0.750000 Dy\n0.386086 0.193043 0.750000 Dy\n0.561122 0.438878 0.250000 Al\n0.561122 0.122244 0.250000 Al\n0.877756 0.438878 0.250000 Al\n0.438878 0.561122 0.750000 Al\n0.438878 0.877756 0.750000 Al\n0.122244 0.561122 0.750000 Al\n0.324450 0.162225 0.423572 Al\n0.837775 0.162225 0.423572 Al\n0.837775 0.675550 0.423572 Al\n0.675550 0.837775 0.576428 Al\n0.162225 0.837775 0.576428 Al\n0.162225 0.324450 0.576428 Al\n0.675550 0.837775 0.923572 Al\n0.162225 0.837775 0.923572 Al\n0.162225 0.324450 0.923572 Al\n0.324450 0.162225 0.076428 Al\n0.837775 0.162225 0.076428 Al\n0.837775 0.675550 0.076428 Al\n0.666667 0.333333 0.515646 Al\n0.333333 0.666667 0.484354 Al\n0.333333 0.666667 0.015646 Al\n0.666667 0.333333 0.984354 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n",
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{
"id": "mp-1079643",
"created_at": "2022-09-04T14:43:42.049702Z",
"structure_string": "Ta3 Mn3 Ge3\n1.0\n3.278210 -5.678026 0.000000\n3.278210 5.678026 0.000000\n0.000000 0.000000 3.615958\nTa Mn Ge\n3 3 3\ndirect\n0.415460 0.415460 0.500000 Ta\n0.584540 0.000000 0.500000 Ta\n0.000000 0.584540 0.500000 Ta\n0.750062 0.750062 0.000000 Mn\n0.249938 0.000000 0.000000 Mn\n0.000000 0.249938 0.000000 Mn\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"formula_full": "Ta3 Mn3 Ge3",
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{
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"elements": [
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],
"chemical_system": "K-Sr",
"density": 2.1515263941934957,
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"formula_full": "K1 Sr3",
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{
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"structure_string": "Al2 Ni1 Os1\n1.0\n0.000000 2.964103 2.964103\n2.964103 0.000000 2.964103\n2.964103 2.964103 0.000000\nAl Ni Os\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Os\n",
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"updated_at": "2021-11-28T01:36:22.211000Z",
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}