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{
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"results": [
{
"id": "mp-1209451",
"created_at": "2022-09-04T14:47:57.518432Z",
"structure_string": "Rb4 Tm4 S8 O36\n1.0\n0.000000 8.514842 0.000000\n9.186320 0.000000 -5.354751\n-8.792738 0.000000 -4.968751\nRb Tm S O\n4 4 8 36\ndirect\n0.339224 0.677271 0.957671 Rb\n0.660776 0.322729 0.042329 Rb\n0.839224 0.822729 0.542329 Rb\n0.160776 0.177271 0.457671 Rb\n0.373078 0.970074 0.718180 Tm\n0.626922 0.029926 0.281820 Tm\n0.873078 0.529926 0.781820 Tm\n0.126922 0.470074 0.218180 Tm\n0.131542 0.314731 0.877199 S\n0.868458 0.685269 0.122801 S\n0.631542 0.185269 0.622801 S\n0.368458 0.814731 0.377199 S\n0.196534 0.612122 0.598537 S\n0.803466 0.387878 0.401463 S\n0.696534 0.887878 0.901463 S\n0.303466 0.112122 0.098537 S\n0.796873 0.019266 0.971383 O\n0.203127 0.980734 0.028617 O\n0.296873 0.480734 0.528617 O\n0.703127 0.519266 0.471383 O\n0.203857 0.174808 0.763438 O\n0.796143 0.825192 0.236562 O\n0.703857 0.325192 0.736562 O\n0.296143 0.674808 0.263438 O\n0.296850 0.746390 0.682711 O\n0.703150 0.253610 0.317289 O\n0.796850 0.753610 0.817289 O\n0.203150 0.246390 0.182711 O\n0.395443 0.121555 0.978447 O\n0.604557 0.878445 0.021553 O\n0.895443 0.378445 0.521553 O\n0.104557 0.621555 0.478447 O\n0.123878 0.938593 0.778214 O\n0.876122 0.061407 0.221786 O\n0.623878 0.561407 0.721786 O\n0.376122 0.438593 0.278214 O\n0.252197 0.417575 0.987829 O\n0.747803 0.582425 0.012171 O\n0.752197 0.082425 0.512171 O\n0.247803 0.917575 0.487829 O\n0.011200 0.300389 0.975732 O\n0.988800 0.699611 0.024268 O\n0.511200 0.199611 0.524268 O\n0.488800 0.800389 0.475732 O\n0.060013 0.380381 0.790726 O\n0.939987 0.619619 0.209274 O\n0.560013 0.119619 0.709274 O\n0.439987 0.880381 0.290726 O\n0.591507 0.889791 0.785699 O\n0.408493 0.110209 0.214301 O\n0.091507 0.610209 0.714301 O\n0.908493 0.389791 0.285699 O\n",
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],
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"volume": 789.5596648694444,
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"formula_full": "Rb4 Tm4 S8 O36",
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"updated_at": "2021-11-28T01:38:22.527000Z",
"spacegroup": 14
},
{
"id": "mp-975896",
"created_at": "2022-09-04T14:47:57.524876Z",
"structure_string": "Pr1 Nd1 Tl2\n1.0\n0.000000 3.928276 3.928276\n3.928276 0.000000 3.928276\n3.928276 3.928276 0.000000\nPr Nd Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"Tl"
],
"chemical_system": "Nd-Pr-Tl",
"density": 9.504300930013576,
"density_atomic": 0.032993167717700965,
"volume": 121.237222028062,
"volume_molar": 18.252690410109054,
"formula_full": "Pr1 Nd1 Tl2",
"formula_reduced": "PrNdTl2",
"formula_anonymous": "ABC2",
"energy": -15.85428866,
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"energy_above_hull": null,
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"energy_uncorrected": -15.85428866,
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"updated_at": "2021-11-28T01:38:13.796000Z",
"spacegroup": 225
},
{
"id": "mp-19838",
"created_at": "2022-09-04T14:48:05.436642Z",
"structure_string": "Pu1 Cr2 Si2\n1.0\n-1.844597 1.844597 5.508128\n1.844597 -1.844597 5.508128\n1.844597 1.844597 -5.508128\nPu Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.608725 0.608725 0.000000 Si\n0.391275 0.391275 0.000000 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.952387117963024,
"density_atomic": 0.06669649213611614,
"volume": 74.9664613514584,
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"formula_full": "Pu1 Cr2 Si2",
"formula_reduced": "Pu(CrSi)2",
"formula_anonymous": "AB2C2",
"energy": -44.03981402,
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"updated_at": "2021-11-28T01:38:25.631000Z",
"spacegroup": 139
},
{
"id": "mp-1192743",
"created_at": "2022-09-04T14:47:57.495001Z",
"structure_string": "Sr4 Ge4 Pb4 O16\n1.0\n6.068719 0.000000 0.000000\n0.000000 7.419870 0.000000\n0.000000 0.000000 10.062891\nSr Ge Pb O\n4 4 4 16\ndirect\n0.480980 0.748892 0.791038 Sr\n0.980980 0.751108 0.208962 Sr\n0.019020 0.251108 0.291038 Sr\n0.519020 0.248892 0.708962 Sr\n0.524014 0.962374 0.087211 Ge\n0.024014 0.537626 0.912789 Ge\n0.975986 0.037626 0.587211 Ge\n0.475986 0.462374 0.412789 Ge\n0.434363 0.938246 0.408875 Pb\n0.934363 0.561754 0.591125 Pb\n0.065637 0.061754 0.908875 Pb\n0.565637 0.438246 0.091125 Pb\n0.455170 0.061181 0.930990 O\n0.955170 0.438819 0.069010 O\n0.044830 0.938819 0.430990 O\n0.544830 0.561181 0.569010 O\n0.751703 0.051429 0.174087 O\n0.251703 0.448571 0.825913 O\n0.748297 0.948571 0.674087 O\n0.248297 0.551429 0.325913 O\n0.605268 0.736557 0.049106 O\n0.105268 0.763443 0.950894 O\n0.894732 0.263443 0.549106 O\n0.394732 0.236557 0.450894 O\n0.288480 0.987471 0.192693 O\n0.788480 0.512529 0.807307 O\n0.211520 0.012529 0.692693 O\n0.711520 0.487471 0.307307 O\n",
"nsites": 28,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "Ge-O-Pb-Sr",
"density": 6.324571673113963,
"density_atomic": 0.06179337810425462,
"volume": 453.12298597367237,
"volume_molar": 9.745608582589146,
"formula_full": "Sr4 Ge4 Pb4 O16",
"formula_reduced": "SrGePbO4",
"formula_anonymous": "ABCD4",
"energy": -186.01796034,
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"updated_at": "2021-11-28T01:38:15.119000Z",
"spacegroup": 19
},
{
"id": "mp-18453",
"created_at": "2022-09-04T14:47:57.497656Z",
"structure_string": "Rb4 Al4 Pd4 F24\n1.0\n7.232910 0.000000 0.000000\n0.000000 7.393111 0.000000\n0.000000 0.000000 10.289405\nRb Al Pd F\n4 4 4 24\ndirect\n0.250000 0.480941 0.868171 Rb\n0.750000 0.019059 0.368171 Rb\n0.750000 0.519059 0.131829 Rb\n0.250000 0.980941 0.631829 Rb\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.219265 0.737428 Pd\n0.750000 0.719265 0.762572 Pd\n0.250000 0.280735 0.237428 Pd\n0.250000 0.780735 0.262572 Pd\n0.531126 0.793367 0.905154 F\n0.031126 0.206633 0.094846 F\n0.968874 0.293367 0.594846 F\n0.468874 0.706633 0.405154 F\n0.468874 0.206633 0.094846 F\n0.968874 0.793367 0.905154 F\n0.031126 0.706633 0.405154 F\n0.531126 0.293367 0.594846 F\n0.000818 0.634164 0.648594 F\n0.500818 0.365836 0.351406 F\n0.499182 0.134164 0.851406 F\n0.999182 0.865836 0.148594 F\n0.750000 0.959822 0.640745 F\n0.250000 0.040178 0.359255 F\n0.750000 0.459822 0.859255 F\n0.250000 0.540178 0.140745 F\n0.750000 0.030107 0.016117 F\n0.250000 0.969893 0.983883 F\n0.750000 0.530107 0.483883 F\n0.250000 0.469893 0.516117 F\n0.000818 0.134164 0.851406 F\n0.500818 0.865836 0.148594 F\n0.499182 0.634164 0.648594 F\n0.999182 0.365836 0.351406 F\n",
"nsites": 36,
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"elements": [
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"Al",
"Pd",
"F"
],
"chemical_system": "Al-F-Pd-Rb",
"density": 4.018276633916934,
"density_atomic": 0.06542925135597863,
"volume": 550.2126228548155,
"volume_molar": 9.204049618779145,
"formula_full": "Rb4 Al4 Pd4 F24",
"formula_reduced": "RbAlPdF6",
"formula_anonymous": "ABCD6",
"energy": -189.81766871,
"energy_per_atom": -5.272713019722222,
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"updated_at": "2021-11-28T01:38:18.019000Z",
"spacegroup": 62
},
{
"id": "mp-769632",
"created_at": "2022-09-04T14:47:57.545683Z",
"structure_string": "Mn7 Cr1 O16\n1.0\n5.823233 0.000000 0.000000\n0.000000 5.825483 0.000000\n0.000000 0.016435 8.239272\nMn Cr O\n7 1 16\ndirect\n0.500000 0.000000 0.000000 Mn\n0.249604 0.749999 0.250403 Mn\n0.750396 0.749999 0.250403 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.249604 0.250001 0.749597 Mn\n0.750396 0.250001 0.749597 Mn\n0.500000 0.500000 0.000000 Cr\n0.720223 0.750762 0.015730 O\n0.279777 0.750762 0.015730 O\n0.500000 0.531401 0.236353 O\n0.500000 0.970414 0.235071 O\n0.000000 0.529728 0.265049 O\n0.000000 0.971024 0.264978 O\n0.220456 0.749986 0.485603 O\n0.779544 0.749986 0.485603 O\n0.220456 0.250014 0.514397 O\n0.779544 0.250014 0.514397 O\n0.000000 0.470272 0.734951 O\n0.000000 0.028976 0.735022 O\n0.500000 0.468599 0.763647 O\n0.500000 0.029586 0.764929 O\n0.279777 0.249238 0.984270 O\n0.720223 0.249238 0.984270 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cr-Mn-O",
"density": 4.114499835582651,
"density_atomic": 0.08586700094642179,
"volume": 279.5020174860331,
"volume_molar": 7.0133353833536365,
"formula_full": "Mn7 Cr1 O16",
"formula_reduced": "Mn7CrO16",
"formula_anonymous": "AB7C16",
"energy": -195.57900561,
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"updated_at": "2021-11-28T01:38:20.466000Z",
"spacegroup": 10
},
{
"id": "mp-1351530",
"created_at": "2022-09-04T14:47:57.558966Z",
"structure_string": "Mg8 Ti16 O32\n1.0\n2.962015 5.351732 0.000000\n-2.962015 5.351732 0.000000\n0.000000 3.968876 19.617733\nMg Ti O\n8 16 32\ndirect\n0.660931 0.660931 0.030588 Mg\n0.117909 0.117909 0.123203 Mg\n0.906754 0.906754 0.279703 Mg\n0.378055 0.378055 0.373911 Mg\n0.624403 0.624403 0.625096 Mg\n0.501979 0.501979 0.498439 Mg\n0.866658 0.866658 0.874880 Mg\n0.744867 0.744867 0.752849 Mg\n0.618752 0.131756 0.127120 Ti\n0.254216 0.254216 0.247513 Ti\n0.131756 0.618752 0.127120 Ti\n0.154804 0.154804 0.533945 Ti\n0.901861 0.361471 0.370415 Ti\n0.598607 0.598607 0.220969 Ti\n0.406222 0.406222 0.784262 Ti\n0.361471 0.901861 0.370415 Ti\n0.117854 0.631887 0.624983 Ti\n0.844744 0.844744 0.464323 Ti\n0.631887 0.117854 0.624983 Ti\n0.891436 0.348813 0.880244 Ti\n0.348813 0.891436 0.880244 Ti\n0.095497 0.095497 0.717085 Ti\n0.005614 0.005614 0.996850 Ti\n0.350292 0.350292 0.972521 Ti\n0.286756 0.811331 0.063113 O\n0.933929 0.933929 0.180330 O\n0.811331 0.286756 0.063113 O\n0.825504 0.825504 0.064729 O\n0.445402 0.445402 0.188964 O\n0.539205 0.070302 0.314194 O\n0.431591 0.950371 0.185417 O\n0.187638 0.187638 0.436110 O\n0.070302 0.539205 0.314194 O\n0.307463 0.307463 0.068649 O\n0.068160 0.068160 0.310448 O\n0.950371 0.431591 0.185417 O\n0.795831 0.315511 0.565119 O\n0.685350 0.685350 0.435139 O\n0.689645 0.201401 0.434508 O\n0.437857 0.437857 0.686941 O\n0.315511 0.795831 0.565119 O\n0.562365 0.562365 0.317466 O\n0.316002 0.316002 0.563425 O\n0.201401 0.689645 0.434508 O\n0.935401 0.935401 0.687368 O\n0.052283 0.559226 0.814105 O\n0.935485 0.453279 0.684978 O\n0.682370 0.682370 0.929058 O\n0.559226 0.052283 0.814105 O\n0.812268 0.812268 0.561898 O\n0.561989 0.561989 0.815605 O\n0.453279 0.935485 0.684978 O\n0.196285 0.196285 0.942414 O\n0.175571 0.699639 0.936026 O\n0.059153 0.059153 0.814874 O\n0.699639 0.175571 0.936026 O\n",
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"elements": [
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],
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"volume": 621.9570938875897,
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"formula_full": "Mg8 Ti16 O32",
"formula_reduced": "MgTi2O4",
"formula_anonymous": "AB2C4",
"energy": -475.34502774,
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"spacegroup": 8
},
{
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"created_at": "2022-09-04T14:47:57.562777Z",
"structure_string": "Gd6 Zr6 O21\n1.0\n7.337466 0.000000 0.000000\n-3.587615 6.622697 0.000000\n-3.105965 -2.287650 12.162342\nGd Zr O\n6 6 21\ndirect\n0.535217 0.481513 0.013581 Gd\n0.009821 0.468205 0.009812 Gd\n0.015111 0.518415 0.503360 Gd\n0.997746 0.027506 0.482377 Gd\n0.483604 0.973005 0.482183 Gd\n0.989129 0.732346 0.251292 Gd\n0.984261 0.765509 0.756434 Zr\n0.477085 0.011654 0.987973 Zr\n0.525976 0.274513 0.773102 Zr\n0.977533 0.265940 0.254441 Zr\n0.502567 0.532786 0.524923 Zr\n0.505776 0.752614 0.240521 Zr\n0.116452 0.824420 0.441285 O\n0.321606 0.961775 0.808019 O\n0.659763 0.277914 0.935925 O\n0.866732 0.500217 0.815705 O\n0.436072 0.250400 0.596017 O\n0.205775 0.327827 0.416362 O\n0.848000 0.647895 0.588062 O\n0.614684 0.573100 0.195152 O\n0.403710 0.420040 0.822149 O\n0.382888 0.689089 0.577646 O\n0.836192 0.899991 0.772052 O\n0.184795 0.510849 0.199329 O\n0.598469 0.742848 0.418190 O\n0.861452 0.970642 0.294059 O\n0.386910 0.725913 0.046828 O\n0.791926 0.143284 0.097808 O\n0.837371 0.194388 0.524239 O\n0.381470 0.925479 0.299714 O\n0.344954 0.151102 0.035768 O\n0.871971 0.424356 0.319359 O\n0.900480 0.653716 0.069082 O\n",
"nsites": 33,
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],
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"formula_full": "Gd6 Zr6 O21",
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"energy": -357.6723508,
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},
{
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"structure_string": "Er1 Si2 Pt2\n1.0\n-2.097666 2.097666 5.051035\n2.097666 -2.097666 5.051035\n2.097666 2.097666 -5.051035\nEr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.632482 0.632482 0.000000 Pt\n0.367518 0.367518 0.000000 Pt\n",
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