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"results": [
{
"id": "mp-1205289",
"created_at": "2022-09-04T14:43:53.217794Z",
"structure_string": "Rb8 Si16 B8 P8 H216 C72\n1.0\n0.000000 -14.253207 0.000000\n-15.454639 0.000000 6.689002\n0.043512 0.000000 -17.487956\nRb Si B P H C\n8 16 8 8 216 72\ndirect\n0.938475 0.933523 0.094156 Rb\n0.561525 0.433523 0.594156 Rb\n0.061525 0.066477 0.905844 Rb\n0.438475 0.566477 0.405844 Rb\n0.823755 0.758401 0.811290 Rb\n0.676245 0.258401 0.311290 Rb\n0.176245 0.241599 0.188710 Rb\n0.323755 0.741599 0.688710 Rb\n0.774884 0.937303 0.291139 Si\n0.725116 0.437303 0.791139 Si\n0.225116 0.062697 0.708861 Si\n0.274884 0.562697 0.208861 Si\n0.886421 0.765716 0.189111 Si\n0.613579 0.265716 0.689111 Si\n0.113579 0.234284 0.810889 Si\n0.386421 0.734284 0.310889 Si\n0.129448 0.632732 0.777055 Si\n0.370552 0.132732 0.277055 Si\n0.870552 0.367268 0.222945 Si\n0.629448 0.867268 0.722945 Si\n0.327313 0.629074 0.854098 Si\n0.172687 0.129074 0.354098 Si\n0.672687 0.370926 0.145902 Si\n0.827313 0.870926 0.645902 Si\n0.763931 0.807570 0.998343 B\n0.736069 0.307570 0.498343 B\n0.236069 0.192430 0.001657 B\n0.263931 0.692430 0.501657 B\n0.093954 0.861521 0.911347 B\n0.406046 0.361521 0.411347 B\n0.906046 0.138479 0.088653 B\n0.593954 0.638479 0.588653 B\n0.720217 0.818241 0.107415 P\n0.779783 0.318241 0.607415 P\n0.279783 0.181759 0.892585 P\n0.220217 0.681759 0.392585 P\n0.204126 0.795410 0.917805 P\n0.295874 0.295410 0.417805 P\n0.795874 0.204590 0.082195 P\n0.704126 0.704590 0.582195 P\n0.701201 0.663429 0.074321 H\n0.798799 0.163429 0.574321 H\n0.298799 0.336571 0.925679 H\n0.201201 0.836571 0.425679 H\n0.600014 0.707896 0.046048 H\n0.899986 0.207896 0.546048 H\n0.399986 0.292104 0.953952 H\n0.100014 0.792104 0.453952 H\n0.621266 0.726978 0.153246 H\n0.878734 0.226978 0.653246 H\n0.378734 0.273022 0.846754 H\n0.121266 0.773022 0.346754 H\n0.585310 0.901933 0.187599 H\n0.914690 0.401933 0.687599 H\n0.414690 0.098067 0.812401 H\n0.085310 0.598067 0.312401 H\n0.571908 0.866956 0.077384 H\n0.928092 0.366956 0.577384 H\n0.428092 0.133044 0.922616 H\n0.071908 0.633044 0.422616 H\n0.645464 0.957035 0.132975 H\n0.854536 0.457035 0.632975 H\n0.354536 0.042965 0.867025 H\n0.145464 0.542965 0.367025 H\n0.817140 0.068151 0.261174 H\n0.682860 0.568151 0.761174 H\n0.182860 0.931849 0.738826 H\n0.317140 0.431849 0.238826 H\n0.743663 0.096079 0.350579 H\n0.756337 0.596079 0.850579 H\n0.256337 0.903921 0.649421 H\n0.243663 0.403921 0.149421 H\n0.694008 0.047577 0.248454 H\n0.805992 0.547577 0.748454 H\n0.305992 0.952423 0.751546 H\n0.194008 0.452423 0.251546 H\n0.603275 0.913676 0.315851 H\n0.896725 0.413676 0.815851 H\n0.396725 0.086324 0.684149 H\n0.103275 0.586324 0.184149 H\n0.661373 0.977878 0.409980 H\n0.838627 0.477878 0.909980 H\n0.338627 0.022122 0.590020 H\n0.161373 0.522122 0.090020 H\n0.679117 0.863591 0.363776 H\n0.820883 0.363591 0.863776 H\n0.320883 0.136409 0.636224 H\n0.179117 0.636409 0.136224 H\n0.894940 0.904718 0.382232 H\n0.605060 0.404718 0.882232 H\n0.105060 0.095282 0.617768 H\n0.394940 0.595282 0.117768 H\n0.852233 0.012450 0.427530 H\n0.647767 0.512450 0.927530 H\n0.147767 0.987550 0.572470 H\n0.352233 0.487550 0.072470 H\n0.938323 0.983543 0.347680 H\n0.561677 0.483543 0.847680 H\n0.061677 0.016457 0.652320 H\n0.438323 0.516457 0.152320 H\n0.858911 0.764336 0.331742 H\n0.641089 0.264336 0.831742 H\n0.141089 0.235664 0.668258 H\n0.358911 0.735664 0.168258 H\n0.909582 0.665649 0.261356 H\n0.590418 0.165649 0.761356 H\n0.090418 0.334351 0.738644 H\n0.409582 0.834351 0.238644 H\n0.787834 0.686341 0.254712 H\n0.712166 0.186341 0.754712 H\n0.212166 0.313659 0.745288 H\n0.287834 0.813659 0.245288 H\n0.837333 0.628306 0.066646 H\n0.662667 0.128306 0.566646 H\n0.162667 0.371694 0.933354 H\n0.337333 0.871694 0.433354 H\n0.956812 0.628001 0.093833 H\n0.543188 0.128001 0.593833 H\n0.043188 0.371999 0.906167 H\n0.456812 0.871999 0.406167 H\n0.920335 0.687054 0.034519 H\n0.579665 0.187054 0.534519 H\n0.079665 0.312946 0.965481 H\n0.420335 0.812946 0.465481 H\n0.042097 0.826091 0.165908 H\n0.457903 0.326091 0.665908 H\n0.957903 0.173909 0.834092 H\n0.542097 0.673909 0.334092 H\n0.056213 0.755602 0.216728 H\n0.443787 0.255602 0.716728 H\n0.943787 0.244398 0.783272 H\n0.556213 0.744398 0.283272 H\n0.017792 0.863580 0.274418 H\n0.482208 0.363580 0.774418 H\n0.982208 0.136420 0.725582 H\n0.517792 0.636420 0.225582 H\n0.702421 0.770646 0.947789 H\n0.797579 0.270646 0.447789 H\n0.297579 0.229354 0.052211 H\n0.202421 0.729354 0.552211 H\n0.838229 0.767411 0.981151 H\n0.661771 0.267411 0.481151 H\n0.161771 0.232589 0.018849 H\n0.338229 0.732589 0.518849 H\n0.774161 0.881847 0.002392 H\n0.725839 0.381847 0.502392 H\n0.225839 0.118153 0.997608 H\n0.274161 0.618153 0.497608 H\n0.134555 0.749930 0.020475 H\n0.365445 0.249930 0.520475 H\n0.865445 0.250070 0.979525 H\n0.634555 0.750070 0.479525 H\n0.185578 0.855881 0.069776 H\n0.314422 0.355881 0.569776 H\n0.814422 0.144119 0.930224 H\n0.685578 0.644119 0.430224 H\n0.257887 0.761879 0.035961 H\n0.242113 0.261879 0.535961 H\n0.742113 0.238121 0.964039 H\n0.757887 0.738121 0.464039 H\n0.367843 0.845562 0.948044 H\n0.132157 0.345562 0.448044 H\n0.632157 0.154438 0.051956 H\n0.867843 0.654438 0.551956 H\n0.285524 0.932555 0.988956 H\n0.214476 0.432555 0.488956 H\n0.714476 0.067445 0.011044 H\n0.785524 0.567445 0.511044 H\n0.310631 0.886502 0.880354 H\n0.189369 0.386502 0.380354 H\n0.689369 0.113498 0.119646 H\n0.810631 0.613498 0.619646 H\n0.062100 0.570220 0.873885 H\n0.437900 0.070220 0.373885 H\n0.937900 0.429780 0.126115 H\n0.562100 0.929780 0.626115 H\n0.976734 0.571221 0.800434 H\n0.523266 0.071221 0.300434 H\n0.023266 0.428779 0.199566 H\n0.476734 0.928779 0.699566 H\n0.004770 0.668397 0.888129 H\n0.495230 0.168397 0.388129 H\n0.995230 0.331603 0.111871 H\n0.504770 0.831603 0.611871 H\n0.211582 0.529564 0.647650 H\n0.288418 0.029564 0.147650 H\n0.788418 0.470436 0.352350 H\n0.711582 0.970436 0.852350 H\n0.099741 0.491193 0.661269 H\n0.400259 0.991193 0.161269 H\n0.900259 0.508807 0.338731 H\n0.599741 0.008807 0.838731 H\n0.196830 0.479606 0.719327 H\n0.303170 0.979606 0.219327 H\n0.803170 0.520394 0.280673 H\n0.696830 0.020394 0.780673 H\n0.046254 0.753118 0.752668 H\n0.453746 0.253118 0.252669 H\n0.953746 0.246882 0.247332 H\n0.546254 0.746882 0.747332 H\n0.004033 0.647997 0.684507 H\n0.495967 0.147997 0.184507 H\n0.995967 0.352003 0.315493 H\n0.504033 0.852003 0.815493 H\n0.110504 0.687755 0.662584 H\n0.389496 0.187755 0.162584 H\n0.889496 0.312245 0.337416 H\n0.610504 0.812245 0.837416 H\n0.254659 0.574327 0.954568 H\n0.245341 0.074327 0.454568 H\n0.745341 0.425673 0.045432 H\n0.754659 0.925673 0.545432 H\n0.349049 0.506694 0.898911 H\n0.150951 0.006694 0.398911 H\n0.650951 0.493306 0.101089 H\n0.849049 0.993306 0.601089 H\n0.237447 0.497974 0.850859 H\n0.262553 0.997974 0.350859 H\n0.762553 0.502026 0.149141 H\n0.737447 0.002026 0.649141 H\n0.352110 0.529723 0.701125 H\n0.147890 0.029723 0.201125 H\n0.647890 0.470277 0.298875 H\n0.852110 0.970277 0.798875 H\n0.443096 0.520767 0.766974 H\n0.056904 0.020767 0.266974 H\n0.556904 0.479233 0.233026 H\n0.943096 0.979233 0.733026 H\n0.442439 0.610367 0.737807 H\n0.057561 0.110367 0.237807 H\n0.557561 0.389633 0.262193 H\n0.942439 0.889633 0.762193 H\n0.463607 0.733318 0.906731 H\n0.036393 0.233318 0.406731 H\n0.536393 0.266682 0.093269 H\n0.963607 0.766682 0.593269 H\n0.473554 0.642466 0.933101 H\n0.026446 0.142466 0.433101 H\n0.526446 0.357534 0.066899 H\n0.973554 0.857534 0.566899 H\n0.399633 0.729643 0.992769 H\n0.100367 0.229643 0.492769 H\n0.600367 0.270357 0.007231 H\n0.899633 0.770357 0.507231 H\n0.100408 0.877698 0.849212 H\n0.399592 0.377698 0.349212 H\n0.899592 0.122302 0.150788 H\n0.600408 0.622302 0.650788 H\n0.021727 0.821820 0.911300 H\n0.478273 0.321820 0.411300 H\n0.978273 0.178180 0.088700 H\n0.521727 0.678180 0.588700 H\n0.100122 0.928251 0.975488 H\n0.399878 0.428251 0.475488 H\n0.899878 0.071749 0.024512 H\n0.600122 0.571749 0.524512 H\n0.801656 0.849390 0.189164 C\n0.698344 0.349390 0.689164 C\n0.198344 0.150610 0.810836 C\n0.301656 0.650610 0.310836 C\n0.654227 0.719548 0.094055 C\n0.845773 0.219548 0.594055 C\n0.345773 0.280452 0.905945 C\n0.154227 0.780452 0.405945 C\n0.621400 0.893827 0.129507 C\n0.878600 0.393827 0.629507 C\n0.378600 0.106173 0.870493 C\n0.121400 0.606173 0.370493 C\n0.230987 0.695121 0.837721 C\n0.269013 0.195121 0.337721 C\n0.769013 0.304879 0.162279 C\n0.730987 0.804879 0.662279 C\n0.195035 0.790478 0.020985 C\n0.304965 0.290478 0.520985 C\n0.804965 0.209522 0.979015 C\n0.695035 0.709522 0.479015 C\n0.301913 0.871805 0.935694 C\n0.198087 0.371805 0.435694 C\n0.698087 0.128195 0.064306 C\n0.801913 0.628195 0.564306 C\n0.755399 0.047678 0.286593 C\n0.744601 0.547678 0.786593 C\n0.244601 0.952322 0.713407 C\n0.255399 0.452322 0.213407 C\n0.669636 0.921525 0.350243 C\n0.830364 0.421525 0.850243 C\n0.330364 0.078475 0.649757 C\n0.169636 0.578475 0.149757 C\n0.874980 0.960619 0.368527 C\n0.625020 0.460619 0.868527 C\n0.125020 0.039381 0.631473 C\n0.374980 0.539381 0.131473 C\n0.857901 0.716312 0.266874 C\n0.642099 0.216312 0.766874 C\n0.142099 0.283688 0.733126 C\n0.357901 0.783688 0.233126 C\n0.900421 0.668914 0.086029 C\n0.599579 0.168914 0.586029 C\n0.099579 0.331086 0.913971 C\n0.400421 0.831086 0.413971 C\n0.011357 0.807822 0.214396 C\n0.488643 0.307822 0.714396 C\n0.988643 0.192178 0.785604 C\n0.511357 0.692178 0.285604 C\n0.034373 0.608632 0.840722 C\n0.465627 0.108632 0.340722 C\n0.965627 0.391368 0.159278 C\n0.534373 0.891368 0.659278 C\n0.163952 0.523236 0.694431 C\n0.336048 0.023236 0.194431 C\n0.836048 0.476764 0.305569 C\n0.663952 0.976764 0.805569 C\n0.066977 0.686225 0.713993 C\n0.433023 0.186225 0.213993 C\n0.933023 0.313775 0.286007 C\n0.566977 0.813775 0.786007 C\n0.288126 0.544024 0.892902 C\n0.211874 0.044024 0.392902 C\n0.711874 0.455976 0.107098 C\n0.788126 0.955976 0.607098 C\n0.396915 0.566972 0.754600 C\n0.103085 0.066972 0.254600 C\n0.603085 0.433028 0.245400 C\n0.896915 0.933028 0.745400 C\n0.423919 0.690832 0.929073 C\n0.076081 0.190832 0.429073 C\n0.576081 0.309168 0.070927 C\n0.923919 0.809168 0.570927 C\n",
"nsites": 328,
"nelements": 6,
"elements": [
"Rb",
"Si",
"B",
"P",
"H",
"C"
],
"chemical_system": "B-C-H-P-Rb-Si",
"density": 1.1003357879944706,
"density_atomic": 0.08523761216568139,
"volume": 3848.0665010001335,
"volume_molar": 7.065121378921795,
"formula_full": "Rb8 Si16 B8 P8 H216 C72",
"formula_reduced": "RbSi2BP(H3C)9",
"formula_anonymous": "ABCD2E9F27",
"energy": -1655.91252405,
"energy_per_atom": -5.048513792835366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1655.91252405,
"band_gap": 2.6448,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.055000Z",
"spacegroup": 14
},
{
"id": "mp-776756",
"created_at": "2022-09-04T14:43:53.093991Z",
"structure_string": "Li4 Ti1 Mn2 Ni3 P6 O24\n1.0\n8.506469 0.000000 0.000000\n4.033542 7.581879 0.000000\n4.023632 2.468174 7.186948\nLi Ti Mn Ni P O\n4 1 2 3 6 24\ndirect\n0.252110 0.646858 0.848200 Li\n0.708022 0.350060 0.150344 Li\n0.351778 0.148382 0.708409 Li\n0.148686 0.706059 0.351710 Li\n0.147921 0.149039 0.154627 Ti\n0.983214 0.002878 0.997758 Mn\n0.512135 0.499279 0.495009 Mn\n0.855675 0.853302 0.851011 Ni\n0.643740 0.647898 0.643855 Ni\n0.355233 0.349991 0.353457 Ni\n0.754522 0.042041 0.455259 P\n0.447225 0.752383 0.040907 P\n0.050620 0.456775 0.755556 P\n0.953447 0.552568 0.255228 P\n0.552470 0.251611 0.954111 P\n0.252578 0.953468 0.554236 P\n0.882353 0.496248 0.709546 O\n0.698461 0.888184 0.477829 O\n0.949317 0.733445 0.086359 O\n0.449039 0.701040 0.892047 O\n0.011881 0.382070 0.191311 O\n0.761957 0.558121 0.405870 O\n0.740652 0.096548 0.924997 O\n0.532312 0.416346 0.772735 O\n0.825327 0.006945 0.602835 O\n0.401645 0.758455 0.561688 O\n0.907721 0.080789 0.250762 O\n0.608758 0.813317 0.989048 O\n0.383274 0.180990 0.018960 O\n0.099279 0.925992 0.746726 O\n0.596326 0.239659 0.433506 O\n0.184674 0.011306 0.387766 O\n0.434872 0.592735 0.236514 O\n0.246918 0.908601 0.085078 O\n0.244729 0.428158 0.595137 O\n0.039925 0.602495 0.816423 O\n0.529777 0.311937 0.106515 O\n0.078719 0.254170 0.911672 O\n0.317300 0.104610 0.526906 O\n0.105413 0.522246 0.323095 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Li",
"Ti",
"Mn",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Mn-Ni-O-P-Ti",
"density": 3.3367361400692235,
"density_atomic": 0.08629573178127078,
"volume": 463.52234547805773,
"volume_molar": 6.978492024685534,
"formula_full": "Li4 Ti1 Mn2 Ni3 P6 O24",
"formula_reduced": "Li4TiMn2Ni3(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -302.28661407,
"energy_per_atom": -7.557165351749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.83961407,
"band_gap": 2.2646,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.426000Z",
"spacegroup": 1
},
{
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"id": "mp-1408232",
"created_at": "2022-09-04T14:43:23.444343Z",
"structure_string": "Sr2 Fe2 B2 P4 H4 O20\n1.0\n6.680548 0.000000 0.000000\n-1.584466 6.551026 0.000000\n-1.935179 -3.748514 8.392262\nSr Fe B P H O\n2 2 2 4 4 20\ndirect\n0.389110 0.622878 0.265631 Sr\n0.610890 0.377122 0.734369 Sr\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.217636 0.972092 0.753409 B\n0.782364 0.027908 0.246591 B\n0.475719 0.207791 0.167149 P\n0.524281 0.792209 0.832851 P\n0.115608 0.359090 0.676216 P\n0.884392 0.640910 0.323784 P\n0.877575 0.831353 0.916990 H\n0.122425 0.168647 0.083010 H\n0.255017 0.804070 0.588669 H\n0.744983 0.195930 0.411331 H\n0.273331 0.214310 0.307702 O\n0.726669 0.785690 0.692298 O\n0.667562 0.426165 0.114192 O\n0.332438 0.573835 0.885808 O\n0.403666 0.168111 0.036748 O\n0.596334 0.831889 0.963252 O\n0.563924 0.025587 0.235216 O\n0.436076 0.974413 0.764784 O\n0.304831 0.567095 0.564116 O\n0.695169 0.432905 0.435884 O\n0.981223 0.248291 0.590781 O\n0.018777 0.751709 0.409219 O\n0.946233 0.400753 0.816621 O\n0.053767 0.599247 0.183379 O\n0.218819 0.194318 0.747581 O\n0.781181 0.805682 0.252419 O\n0.028067 0.811312 0.895828 O\n0.971933 0.188688 0.104172 O\n0.214766 0.934704 0.604502 O\n0.785234 0.065296 0.395498 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Sr",
"Fe",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Fe-H-O-P-Sr",
"density": 3.4200978287403383,
"density_atomic": 0.09257174949596987,
"volume": 367.28267732997955,
"volume_molar": 6.505376416443523,
"formula_full": "Sr2 Fe2 B2 P4 H4 O20",
"formula_reduced": "SrFeBP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -130.9421725,
"energy_per_atom": -3.851240367647059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.9741725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0870347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.223000Z",
"spacegroup": 2
}
]
}