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{
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"results": [
{
"id": "mp-1210972",
"created_at": "2022-09-04T14:45:07.677750Z",
"structure_string": "Li12 W7 O28\n1.0\n8.508062 0.000000 0.000000\n0.000000 8.508062 0.000000\n0.000000 0.000000 8.508062\nLi W O\n12 7 28\ndirect\n0.142809 0.142809 0.401609 Li\n0.857191 0.857191 0.401609 Li\n0.857191 0.142809 0.598391 Li\n0.401609 0.142809 0.142809 Li\n0.142809 0.857191 0.598391 Li\n0.401609 0.857191 0.857191 Li\n0.598391 0.857191 0.142809 Li\n0.598391 0.142809 0.857191 Li\n0.142809 0.401609 0.142809 Li\n0.142809 0.598391 0.857191 Li\n0.857191 0.598391 0.142809 Li\n0.857191 0.401609 0.857191 Li\n0.858027 0.858027 0.858027 W\n0.141973 0.141973 0.858027 W\n0.141973 0.858027 0.141973 W\n0.858027 0.141973 0.141973 W\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.374958 0.374958 0.119498 O\n0.625042 0.625042 0.119498 O\n0.625042 0.374958 0.880502 O\n0.119498 0.374958 0.374958 O\n0.374958 0.625042 0.880502 O\n0.119498 0.625042 0.625042 O\n0.880502 0.625042 0.374958 O\n0.880502 0.374958 0.625042 O\n0.374958 0.119498 0.374958 O\n0.374958 0.880502 0.625042 O\n0.625042 0.880502 0.374958 O\n0.625042 0.119498 0.625042 O\n0.108767 0.108767 0.108767 O\n0.891233 0.891233 0.108767 O\n0.891233 0.108767 0.891233 O\n0.108767 0.891233 0.891233 O\n0.115571 0.115571 0.646084 O\n0.884429 0.884429 0.646084 O\n0.884429 0.115571 0.353916 O\n0.646084 0.115571 0.115571 O\n0.115571 0.884429 0.353916 O\n0.646084 0.884429 0.884429 O\n0.353916 0.884429 0.115571 O\n0.353916 0.115571 0.884429 O\n0.115571 0.646084 0.115571 O\n0.115571 0.353916 0.884429 O\n0.884429 0.353916 0.115571 O\n0.884429 0.646084 0.884429 O\n",
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"formula_full": "Li12 W7 O28",
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"spacegroup": 215
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{
"id": "mp-706875",
"created_at": "2022-09-04T14:47:24.628871Z",
"structure_string": "Fe21 O23\n1.0\n6.898233 0.000000 0.000000\n3.433543 7.356118 0.000000\n2.761219 0.007058 9.355218\nFe O\n21 23\ndirect\n0.127570 0.297825 0.039951 Fe\n0.257281 0.618272 0.081103 Fe\n0.375724 0.917304 0.129639 Fe\n0.526485 0.218603 0.175481 Fe\n0.641683 0.522548 0.226066 Fe\n0.790192 0.827374 0.248716 Fe\n0.907189 0.130042 0.296637 Fe\n0.056494 0.429204 0.353354 Fe\n0.180789 0.730777 0.396114 Fe\n0.311833 0.046307 0.434916 Fe\n0.564800 0.646033 0.520418 Fe\n0.688861 0.966199 0.560688 Fe\n0.810575 0.263619 0.603400 Fe\n0.962453 0.557821 0.650512 Fe\n0.089190 0.873357 0.703704 Fe\n0.217670 0.176595 0.737518 Fe\n0.349765 0.472023 0.776634 Fe\n0.469450 0.784832 0.828923 Fe\n0.615545 0.086810 0.874065 Fe\n0.747852 0.383307 0.915331 Fe\n0.873006 0.699888 0.959313 Fe\n0.571566 0.648112 0.020849 O\n0.668717 0.964754 0.065773 O\n0.821148 0.266176 0.124333 O\n0.966968 0.556938 0.154872 O\n0.089659 0.874154 0.211923 O\n0.197074 0.184074 0.246618 O\n0.330347 0.479825 0.272924 O\n0.477626 0.790319 0.326939 O\n0.635444 0.073722 0.364333 O\n0.771666 0.383050 0.403380 O\n0.871997 0.679408 0.450889 O\n0.002428 0.994919 0.500162 O\n0.119209 0.303558 0.540797 O\n0.246576 0.635689 0.598423 O\n0.374862 0.915042 0.635134 O\n0.525357 0.201424 0.693219 O\n0.649588 0.528867 0.719592 O\n0.789095 0.834853 0.758266 O\n0.905653 0.128239 0.792215 O\n0.040991 0.434606 0.847428 O\n0.170188 0.735361 0.881882 O\n0.329750 0.049774 0.928745 O\n0.444901 0.340570 0.970561 O\n",
"nsites": 44,
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"elements": [
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"density": 5.389339168694853,
"density_atomic": 0.09268558979613169,
"volume": 474.72320235304124,
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"formula_full": "Fe21 O23",
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},
{
"id": "mp-769456",
"created_at": "2022-09-04T14:47:35.742468Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n9.015296 0.017116 0.000000\n0.067671 10.502902 0.000000\n0.000000 0.000000 6.594322\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.086876 0.383971 0.248594 Na\n0.086876 0.883971 0.251406 Na\n0.266938 0.126049 0.019727 Na\n0.266938 0.626049 0.480273 Na\n0.738389 0.375117 0.496577 Na\n0.738670 0.372469 0.003059 Na\n0.738670 0.872469 0.496941 Na\n0.738389 0.875117 0.003423 Na\n0.926596 0.121169 0.740946 Na\n0.926596 0.621169 0.759054 Na\n0.345891 0.393055 0.753227 Fe\n0.345891 0.893055 0.746773 Fe\n0.647785 0.111559 0.252037 Fe\n0.647785 0.611559 0.247963 Fe\n0.417752 0.350290 0.250364 P\n0.417752 0.850290 0.249636 P\n0.578883 0.143444 0.751352 P\n0.578883 0.643444 0.748648 P\n0.063615 0.365841 0.748387 C\n0.063615 0.865841 0.751613 C\n0.938127 0.136460 0.245406 C\n0.938127 0.636460 0.254594 C\n0.077929 0.147501 0.232213 O\n0.077929 0.647501 0.267787 O\n0.127065 0.476796 0.734199 O\n0.127065 0.976796 0.765801 O\n0.151237 0.267484 0.761603 O\n0.151237 0.767484 0.738397 O\n0.321647 0.383205 0.057970 O\n0.323007 0.392840 0.438695 O\n0.323007 0.892840 0.061305 O\n0.321647 0.883205 0.442030 O\n0.434180 0.065443 0.758255 O\n0.434180 0.565443 0.741745 O\n0.445464 0.205564 0.249806 O\n0.445464 0.705564 0.250194 O\n0.535861 0.289075 0.749667 O\n0.535861 0.789075 0.750333 O\n0.566300 0.422557 0.248126 O\n0.566300 0.922557 0.251874 O\n0.677244 0.112108 0.565400 O\n0.680547 0.116337 0.936840 O\n0.680547 0.616337 0.563160 O\n0.677244 0.612108 0.934600 O\n0.850770 0.237373 0.253216 O\n0.850770 0.737373 0.246784 O\n0.874777 0.024086 0.252281 O\n0.874777 0.524086 0.247719 O\n0.920970 0.355416 0.749473 O\n0.920970 0.855416 0.750527 O\n",
"nsites": 50,
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"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.8541389400825605,
"density_atomic": 0.08007848778736752,
"volume": 624.3874151665432,
"volume_molar": 7.520297805810964,
"formula_full": "Na10 Fe4 P4 C4 O28",
"formula_reduced": "Na5Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -356.81548203,
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"spacegroup": 7
},
{
"id": "mp-1349418",
"created_at": "2022-09-04T14:46:58.138206Z",
"structure_string": "Mg4 Mo12 O28\n1.0\n5.765112 0.000000 0.000000\n0.000000 9.952709 0.000000\n0.000000 0.000000 11.030421\nMg Mo O\n4 12 28\ndirect\n0.377935 0.066539 0.250000 Mg\n0.877935 0.433461 0.750000 Mg\n0.622065 0.933461 0.750000 Mg\n0.122065 0.566539 0.250000 Mg\n0.697159 0.672843 0.980195 Mo\n0.197159 0.827157 0.019805 Mo\n0.302841 0.327157 0.480195 Mo\n0.802841 0.172843 0.519805 Mo\n0.709429 0.795698 0.250000 Mo\n0.209429 0.704302 0.750000 Mo\n0.290571 0.204302 0.750000 Mo\n0.790571 0.295698 0.250000 Mo\n0.197159 0.827157 0.480195 Mo\n0.697159 0.672843 0.519805 Mo\n0.802841 0.172843 0.980195 Mo\n0.302841 0.327157 0.019805 Mo\n0.054444 0.277586 0.882567 O\n0.554444 0.222414 0.117433 O\n0.945556 0.722414 0.382567 O\n0.445556 0.777586 0.617433 O\n0.945556 0.722414 0.117433 O\n0.445556 0.777586 0.882567 O\n0.054444 0.277586 0.617433 O\n0.554444 0.222414 0.382567 O\n0.520277 0.254232 0.883273 O\n0.020277 0.245768 0.116727 O\n0.479723 0.745768 0.383273 O\n0.979723 0.754232 0.616727 O\n0.479723 0.745768 0.116727 O\n0.979723 0.754232 0.883273 O\n0.520277 0.254232 0.616727 O\n0.020277 0.245768 0.383273 O\n0.803998 0.480404 0.250000 O\n0.303998 0.019596 0.750000 O\n0.196002 0.519596 0.750000 O\n0.696002 0.980404 0.250000 O\n0.770094 0.013487 0.601151 O\n0.270094 0.486513 0.398849 O\n0.229906 0.986513 0.101151 O\n0.729906 0.513487 0.898849 O\n0.229906 0.986513 0.398849 O\n0.729906 0.513487 0.601151 O\n0.770094 0.013487 0.898849 O\n0.270094 0.486513 0.101151 O\n",
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"volume": 632.9088137760996,
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"formula_full": "Mg4 Mo12 O28",
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"spacegroup": 62
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{
"id": "mp-1222178",
"created_at": "2022-09-04T14:47:39.718935Z",
"structure_string": "Mn2 Fe8 Bi10 O30\n1.0\n5.745434 0.000000 0.000000\n-2.708087 9.406151 0.000000\n-2.567802 -2.514122 11.992822\nMn Fe Bi O\n2 8 10 30\ndirect\n0.612815 0.943296 0.167162 Mn\n0.112032 0.444286 0.667763 Mn\n0.205478 0.343695 0.964049 Fe\n0.808842 0.744568 0.765570 Fe\n0.403517 0.144345 0.565197 Fe\n0.005736 0.543879 0.365384 Fe\n0.502527 0.042858 0.865300 Fe\n0.705224 0.843637 0.465089 Fe\n0.311203 0.246390 0.266419 Fe\n0.902191 0.643974 0.065025 Fe\n0.293495 0.699933 0.901059 Bi\n0.887345 0.099805 0.697995 Bi\n0.496847 0.501588 0.498509 Bi\n0.098034 0.904330 0.300224 Bi\n0.691556 0.299067 0.098010 Bi\n0.993742 0.000819 0.998300 Bi\n0.599378 0.401017 0.796281 Bi\n0.193118 0.799930 0.598348 Bi\n0.796484 0.201094 0.399477 Bi\n0.385007 0.598930 0.195163 Bi\n0.100512 0.968233 0.493220 O\n0.705516 0.368193 0.296671 O\n0.280598 0.758112 0.091420 O\n0.902721 0.167299 0.896952 O\n0.520150 0.569659 0.694994 O\n0.026971 0.638887 0.235901 O\n0.631259 0.040027 0.037837 O\n0.218409 0.438801 0.831774 O\n0.835495 0.840442 0.636120 O\n0.437962 0.239604 0.436515 O\n0.460419 0.068886 0.245513 O\n0.047805 0.464659 0.046698 O\n0.658227 0.870900 0.849141 O\n0.244305 0.271267 0.646021 O\n0.852572 0.669648 0.447339 O\n0.673056 0.850467 0.303513 O\n0.275968 0.247950 0.105347 O\n0.875898 0.647222 0.904258 O\n0.466688 0.043388 0.704166 O\n0.074486 0.450216 0.508340 O\n0.830149 0.829345 0.113896 O\n0.440328 0.228966 0.914536 O\n0.048213 0.629727 0.714081 O\n0.640860 0.027438 0.514711 O\n0.241793 0.430047 0.316295 O\n0.990792 0.103572 0.261581 O\n0.567051 0.498772 0.053116 O\n0.173197 0.897599 0.857596 O\n0.749199 0.290256 0.658737 O\n0.373230 0.698578 0.456584 O\n",
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"formula_full": "Mn2 Fe8 Bi10 O30",
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{
"id": "mp-675882",
"created_at": "2022-09-04T14:40:06.645822Z",
"structure_string": "Dy10 Ti5 O25\n1.0\n7.375242 0.000000 0.000000\n-3.546391 6.593649 0.000000\n-3.529952 -2.181567 11.766777\nDy Ti O\n10 5 25\ndirect\n0.869590 0.639299 0.051431 Dy\n0.875070 0.431179 0.342877 Dy\n0.895262 0.136791 0.057941 Dy\n0.889075 0.965314 0.331173 Dy\n0.411884 0.694045 0.067419 Dy\n0.385913 0.945080 0.304666 Dy\n0.360670 0.452123 0.304419 Dy\n0.448289 0.240140 0.566664 Dy\n0.400783 0.471533 0.806291 Dy\n0.389867 0.931829 0.795182 Dy\n0.856762 0.179418 0.550509 Ti\n0.391955 0.196459 0.058820 Ti\n0.847634 0.896205 0.819935 Ti\n0.897303 0.718726 0.560401 Ti\n0.368126 0.670586 0.561316 Ti\n0.980044 0.277399 0.241979 O\n0.509525 0.433616 0.000086 O\n0.550760 0.087021 0.024175 O\n0.519455 0.272063 0.222861 O\n0.809490 0.850203 0.130137 O\n0.746121 0.136891 0.393076 O\n0.969375 0.008667 0.529205 O\n0.216453 0.825573 0.122935 O\n0.527303 0.762203 0.259785 O\n0.950964 0.843681 0.712056 O\n0.817073 0.669315 0.393837 O\n0.599004 0.018725 0.573998 O\n0.541735 0.570886 0.522602 O\n0.528533 0.746812 0.721418 O\n0.805254 0.418377 0.556430 O\n0.763727 0.663077 0.884165 O\n0.239741 0.662592 0.394284 O\n0.227735 0.387261 0.107250 O\n0.180861 0.412602 0.589601 O\n0.429396 0.221886 0.736213 O\n0.759652 0.076188 0.868502 O\n0.264075 0.130212 0.379054 O\n0.117087 0.048296 0.947247 O\n0.189472 0.788065 0.599471 O\n0.292582 0.657462 0.881189 O\n",
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{
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