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{
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"results": [
{
"id": "mp-753044",
"created_at": "2022-09-04T14:39:06.333698Z",
"structure_string": "Li4 Nb1 Te2 W1 O12\n1.0\n5.249592 0.000000 0.000000\n-0.030611 5.701460 0.000000\n-0.018542 -0.948076 7.834116\nLi Nb Te W O\n4 1 2 1 12\ndirect\n0.999432 0.424774 0.296002 Li\n0.500737 0.906621 0.788300 Li\n0.004446 0.430279 0.780638 Li\n0.492598 0.926683 0.292374 Li\n0.500546 0.491165 0.512240 Nb\n0.011333 0.990624 0.516041 Te\n0.499330 0.462825 0.018995 Te\n0.998459 0.989642 0.009186 W\n0.305781 0.198309 0.429270 O\n0.137694 0.042109 0.751245 O\n0.310127 0.876516 0.061211 O\n0.203369 0.705905 0.419033 O\n0.848508 0.718875 0.906570 O\n0.355213 0.537050 0.724971 O\n0.626364 0.491517 0.249424 O\n0.156506 0.328518 0.056174 O\n0.816339 0.326236 0.555285 O\n0.692596 0.181241 0.925834 O\n0.855608 0.007778 0.225870 O\n0.685013 0.820932 0.552536 O\n",
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"elements": [
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],
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"volume": 234.47774611234416,
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"formula_full": "Li4 Nb1 Te2 W1 O12",
"formula_reduced": "Li4NbTe2WO12",
"formula_anonymous": "ABC2D4E12",
"energy": -139.39309206,
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"updated_at": "2021-11-28T01:34:45.233000Z",
"spacegroup": 1
},
{
"id": "mp-1181596",
"created_at": "2022-09-04T14:39:06.459287Z",
"structure_string": "Fe3 Co1 Bi4 O12\n1.0\n5.655663 0.000000 0.000000\n2.648375 5.068360 0.000000\n2.396590 1.773396 9.212179\nFe Co Bi O\n3 1 4 12\ndirect\n0.897726 0.815881 0.356857 Fe\n0.154537 0.067136 0.609324 Fe\n0.438068 0.303166 0.853006 Fe\n0.661394 0.535287 0.111868 Co\n0.008405 0.012661 0.989838 Bi\n0.196922 0.271430 0.251421 Bi\n0.478014 0.547767 0.480600 Bi\n0.724115 0.745990 0.759899 Bi\n0.276537 0.633337 0.225543 O\n0.126235 0.338786 0.999779 O\n0.044270 0.411716 0.479178 O\n0.817347 0.153531 0.210641 O\n0.787334 0.618542 0.250935 O\n0.076838 0.895634 0.475062 O\n0.824639 0.104399 0.746403 O\n0.540481 0.908706 0.474060 O\n0.631837 0.850895 0.979088 O\n0.356127 0.636246 0.712879 O\n0.331742 0.105023 0.751658 O\n0.629431 0.397866 0.959959 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Fe",
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-Fe-O",
"density": 7.887979449514021,
"density_atomic": 0.07573849121109115,
"volume": 264.06652258569414,
"volume_molar": 7.951228845073847,
"formula_full": "Fe3 Co1 Bi4 O12",
"formula_reduced": "Fe3Co(BiO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -138.2668091,
"energy_per_atom": -6.913340454999999,
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"energy_uncorrected": -121.6168091,
"band_gap": 0.7248000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.867000Z",
"spacegroup": 1
},
{
"id": "mp-1369163",
"created_at": "2022-09-04T14:39:06.389901Z",
"structure_string": "Na4 P6 Pb1 O18\n1.0\n7.390329 0.000000 0.000000\n-1.599453 7.783465 0.000000\n-0.755666 -3.932392 6.875147\nNa P Pb O\n4 6 1 18\ndirect\n0.819714 0.818147 0.653838 Na\n0.173799 0.170918 0.340203 Na\n0.504872 0.509948 0.491896 Na\n0.880961 0.808899 0.237783 Na\n0.235066 0.682792 0.663432 P\n0.769434 0.323487 0.330946 P\n0.491252 0.954431 0.778727 P\n0.507978 0.051877 0.220888 P\n0.774312 0.316106 0.978536 P\n0.232018 0.677424 0.021345 P\n0.090248 0.174725 0.801391 Pb\n0.746628 0.474803 0.771789 O\n0.257539 0.517495 0.227211 O\n0.701817 0.985561 0.813736 O\n0.295636 0.034336 0.170908 O\n0.803350 0.419409 0.112671 O\n0.206003 0.576748 0.885765 O\n0.929072 0.176255 0.062430 O\n0.074763 0.815903 0.934929 O\n0.620646 0.872994 0.345912 O\n0.364767 0.124797 0.665162 O\n0.744870 0.486395 0.361024 O\n0.269062 0.522081 0.633625 O\n0.920163 0.180562 0.474138 O\n0.078503 0.816937 0.525187 O\n0.566515 0.198764 0.315965 O\n0.434136 0.813001 0.677413 O\n0.573549 0.190354 0.015177 O\n0.433327 0.804851 0.987973 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Na",
"P",
"Pb",
"O"
],
"chemical_system": "Na-O-P-Pb",
"density": 3.245672622779261,
"density_atomic": 0.07332959055124427,
"volume": 395.47472966911204,
"volume_molar": 8.212429272725315,
"formula_full": "Na4 P6 Pb1 O18",
"formula_reduced": "Na4P6PbO18",
"formula_anonymous": "AB4C6D18",
"energy": -60.52964072,
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"energy_uncorrected": -48.16364072,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:25.954000Z",
"spacegroup": 1
},
{
"id": "mp-776731",
"created_at": "2022-09-04T14:39:06.480521Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.712749 0.000000 0.000000\n-0.012708 8.722325 0.000000\n-0.103088 -0.425418 10.161391\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.257201 0.086403 0.121204 Na\n0.997613 0.259399 0.370991 Na\n0.000617 0.257323 0.876824 Na\n0.501295 0.255593 0.871842 Na\n0.499850 0.745731 0.123777 Na\n0.502128 0.739725 0.627646 Na\n0.240175 0.092848 0.618395 Li\n0.464095 0.289539 0.388522 Li\n0.972901 0.720147 0.117110 Li\n0.983201 0.723147 0.624827 Li\n0.760340 0.900456 0.378646 Li\n0.766898 0.897438 0.875605 Li\n0.744248 0.358312 0.117490 Fe\n0.749273 0.347543 0.608443 Fe\n0.242342 0.661156 0.391318 Fe\n0.242357 0.647172 0.888395 Fe\n0.246574 0.419635 0.148412 P\n0.243764 0.410059 0.642396 P\n0.746678 0.594872 0.358205 P\n0.753124 0.591381 0.857903 P\n0.760283 0.043576 0.134899 C\n0.762489 0.040844 0.636620 C\n0.262861 0.961546 0.369508 C\n0.245083 0.938245 0.848126 C\n0.283596 0.106098 0.348783 O\n0.249162 0.081674 0.820123 O\n0.753769 0.069200 0.010437 O\n0.761725 0.072981 0.513254 O\n0.744966 0.158642 0.221200 O\n0.746623 0.153308 0.725672 O\n0.062970 0.316117 0.113582 O\n0.430910 0.329710 0.096167 O\n0.063338 0.303695 0.604754 O\n0.430265 0.317693 0.593821 O\n0.266623 0.442445 0.301773 O\n0.728076 0.432298 0.414298 O\n0.253626 0.434047 0.795514 O\n0.749624 0.435047 0.924113 O\n0.227304 0.579756 0.088498 O\n0.771288 0.575618 0.205528 O\n0.229626 0.568834 0.581043 O\n0.779545 0.563246 0.705986 O\n0.561914 0.697006 0.389309 O\n0.926665 0.688981 0.417109 O\n0.562164 0.688068 0.883980 O\n0.926497 0.695063 0.914036 O\n0.244972 0.861741 0.270035 O\n0.225845 0.832693 0.754079 O\n0.256453 0.912221 0.488111 O\n0.259417 0.894378 0.968281 O\n0.780234 0.905810 0.178014 O\n0.777411 0.901538 0.675395 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.854896400460166,
"density_atomic": 0.08740122253640613,
"volume": 594.9573528944621,
"volume_molar": 6.890224856398932,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -363.7256172,
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"updated_at": "2021-11-28T01:34:29.354000Z",
"spacegroup": 1
},
{
"id": "mp-1223490",
"created_at": "2022-09-04T14:39:06.547918Z",
"structure_string": "K4 C4 N4\n1.0\n4.601805 0.000000 0.000000\n0.536627 7.802785 0.000000\n0.337142 2.739131 7.972319\nK C N\n4 4 4\ndirect\n0.788667 0.522845 0.239148 K\n0.208476 0.477416 0.754720 K\n0.294430 0.018328 0.258074 K\n0.704028 0.983535 0.736739 K\n0.817843 0.798350 0.449207 C\n0.325591 0.298956 0.450398 C\n0.189832 0.737655 0.946444 C\n0.692853 0.232410 0.949765 C\n0.180863 0.198240 0.553362 N\n0.670617 0.699690 0.552189 N\n0.813653 0.265321 0.056209 N\n0.313147 0.767255 0.053744 N\n",
"nsites": 12,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-K-N",
"density": 1.5108880364547805,
"density_atomic": 0.041919754059044335,
"volume": 286.2612214541597,
"volume_molar": 14.365878081054014,
"formula_full": "K4 C4 N4",
"formula_reduced": "KCN",
"formula_anonymous": "ABC",
"energy": -79.35807792,
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"updated_at": "2021-11-28T01:34:35.622000Z",
"spacegroup": 1
},
{
"id": "mp-695251",
"created_at": "2022-09-04T14:39:38.501771Z",
"structure_string": "Ca4 Al8 Si8 H36 O50\n1.0\n9.877060 0.000000 0.000000\n-0.419426 10.420211 0.000000\n-0.043123 -0.234700 10.716722\nCa Al Si H O\n4 8 8 36 50\ndirect\n0.152835 0.272519 0.570765 Ca\n0.426437 0.738726 0.115534 Ca\n0.642474 0.312746 0.876023 Ca\n0.849135 0.731232 0.349766 Ca\n0.200559 0.596258 0.880989 Al\n0.164438 0.078952 0.127667 Al\n0.315739 0.905350 0.617760 Al\n0.364630 0.402240 0.346500 Al\n0.648085 0.570340 0.642650 Al\n0.691792 0.105756 0.366869 Al\n0.806998 0.908826 0.903933 Al\n0.839853 0.418923 0.126482 Al\n0.143600 0.905595 0.878465 Si\n0.170486 0.400897 0.108997 Si\n0.322365 0.601964 0.580434 Si\n0.350573 0.093620 0.376188 Si\n0.642291 0.912763 0.662225 Si\n0.696618 0.409777 0.403743 Si\n0.031862 0.574505 0.666787 Si\n0.837055 0.023216 0.184922 Si\n0.964473 0.909503 0.707110 H\n0.028343 0.529487 0.285970 H\n0.079476 0.756662 0.574122 H\n0.131952 0.908628 0.419150 H\n0.129097 0.583600 0.387033 H\n0.124220 0.262192 0.335310 H\n0.366654 0.792115 0.870566 H\n0.342433 0.390507 0.895551 H\n0.415935 0.073040 0.938488 H\n0.355434 0.254723 0.086788 H\n0.347000 0.327052 0.712540 H\n0.447787 0.476619 0.823439 H\n0.482882 0.003334 0.171591 H\n0.435213 0.794670 0.370112 H\n0.507087 0.241088 0.660504 H\n0.492044 0.048138 0.814891 H\n0.558990 0.534678 0.264223 H\n0.502429 0.783163 0.336750 H\n0.670814 0.710409 0.894456 H\n0.601513 0.961744 0.080966 H\n0.682570 0.557799 0.065131 H\n0.577532 0.987351 0.486373 H\n0.647826 0.237119 0.592575 H\n0.767338 0.217689 0.092359 H\n0.787966 0.759607 0.686510 H\n0.847719 0.687895 0.081755 H\n0.973811 0.140068 0.912248 H\n0.857505 0.369181 0.611598 H\n0.903321 0.112978 0.569574 H\n0.964772 0.255404 0.335862 H\n0.907088 0.587006 0.854634 H\n0.004831 0.016430 0.621901 H\n0.888654 0.382980 0.749146 H\n0.028512 0.949176 0.321145 H\n0.013573 0.201828 0.923389 H\n0.985716 0.773927 0.096629 H\n0.979860 0.915165 0.865803 O\n0.997428 0.717033 0.612542 O\n0.042775 0.882996 0.384651 O\n0.017300 0.435953 0.143270 O\n0.038655 0.596457 0.353172 O\n0.179939 0.758294 0.916612 O\n0.206282 0.996530 0.990661 O\n0.210547 0.939328 0.743607 O\n0.204892 0.564396 0.702639 O\n0.204011 0.454692 0.967291 O\n0.197465 0.245471 0.103105 O\n0.277167 0.747848 0.553449 O\n0.277604 0.495269 0.473143 O\n0.276218 0.462258 0.215419 O\n0.276139 0.039712 0.249176 O\n0.290844 0.017938 0.499641 O\n0.311291 0.246032 0.403479 O\n0.421282 0.384625 0.836525 O\n0.472173 0.589195 0.633247 O\n0.481365 0.906731 0.677424 O\n0.448433 0.743901 0.890913 O\n0.476619 0.114765 0.877742 O\n0.502714 0.948160 0.099379 O\n0.460844 0.267963 0.082825 O\n0.513101 0.073875 0.362658 O\n0.535697 0.442189 0.383499 O\n0.553808 0.585799 0.185525 O\n0.600706 0.218128 0.673524 O\n0.629281 0.710017 0.214669 O\n0.702717 0.758441 0.637552 O\n0.668986 0.988131 0.527504 O\n0.727899 0.979483 0.774269 O\n0.703982 0.486292 0.765964 O\n0.744423 0.520219 0.510843 O\n0.716056 0.260269 0.454057 O\n0.762564 0.746841 0.889994 O\n0.772238 0.537570 0.033494 O\n0.784899 0.442212 0.281418 O\n0.777112 0.949127 0.309837 O\n0.770994 0.979461 0.049410 O\n0.790547 0.284329 0.030105 O\n0.498819 0.306033 0.200277 O\n0.906874 0.741939 0.141224 O\n0.386189 0.616990 0.922315 O\n0.774526 0.162050 0.228492 O\n0.926837 0.344520 0.672564 O\n0.999092 0.570065 0.821086 O\n0.999931 0.099278 0.576610 O\n0.044967 0.288041 0.382696 O\n0.002074 0.034391 0.182414 O\n",
"nsites": 106,
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"H",
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],
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"volume": 1102.9762728640821,
"volume_molar": 6.266300349177048,
"formula_full": "Ca4 Al8 Si8 H36 O50",
"formula_reduced": "Ca2Al4Si4H18O25",
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"energy": -662.68788844,
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},
{
"id": "mp-29157",
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"structure_string": "Si6 P4 Pt2\n1.0\n4.889133 0.000000 0.000000\n-1.702559 5.255020 0.000000\n-0.501187 -0.370800 8.125632\nSi P Pt\n6 4 2\ndirect\n0.666957 0.607750 0.073527 Si\n0.177958 0.754998 0.804105 Si\n0.666578 0.962441 0.754824 Si\n0.561063 0.331290 0.669915 Si\n0.353303 0.024546 0.233275 Si\n0.056650 0.452610 0.396385 Si\n0.192389 0.118234 0.479556 P\n0.295026 0.397084 0.885567 P\n0.495010 0.691977 0.318096 P\n0.795153 0.269834 0.163523 P\n0.852280 0.716216 0.558080 Pt\n0.999834 0.998729 0.000816 Pt\n",
"nsites": 12,
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"elements": [
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],
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"formula_full": "Si6 P4 Pt2",
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},
{
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"structure_string": "Mg1 Hg8 N4 O16\n1.0\n5.493889 0.102258 -0.906710\n0.015947 6.890158 -0.593197\n0.203143 -1.212744 13.900770\nMg Hg N O\n1 8 4 16\ndirect\n0.616535 0.255827 0.941541 Mg\n0.448994 0.792850 0.272156 Hg\n0.461334 0.277634 0.264557 Hg\n0.534897 0.289272 0.708833 Hg\n0.538272 0.804004 0.734550 Hg\n0.817582 0.532776 0.542397 Hg\n0.289436 0.896079 0.961175 Hg\n0.145738 0.553265 0.431369 Hg\n0.836669 0.953843 0.062763 Hg\n0.998631 0.035805 0.622801 N\n0.099481 0.416734 0.886493 N\n0.881119 0.464505 0.137126 N\n0.992477 0.035412 0.379203 N\n0.170848 0.513673 0.828987 O\n0.015816 0.217303 0.659749 O\n0.919580 0.395468 0.215814 O\n0.985072 0.861386 0.329083 O\n0.467892 0.001231 0.184896 O\n0.452783 0.557723 0.350742 O\n0.544284 0.090635 0.807890 O\n0.535176 0.535349 0.639274 O\n0.677827 0.417141 0.078584 O\n0.192205 0.126991 0.398451 O\n0.792004 0.953505 0.608963 O\n0.248542 0.331286 0.944917 O\n0.025896 0.576379 0.114387 O\n0.801844 0.111944 0.408662 O\n0.872153 0.405404 0.889760 O\n0.184531 0.939169 0.600083 O\n",
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{
"id": "mp-1233210",
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"structure_string": "Mg1 Fe7 Ni6 O16\n1.0\n4.304294 -4.229357 -0.041737\n-4.262157 -0.012483 -4.288749\n8.649600 4.228013 -4.377757\nMg Fe Ni O\n1 7 6 16\ndirect\n0.066111 0.461616 0.341536 Mg\n0.325631 0.711585 0.081775 Fe\n0.023554 0.934922 0.835134 Fe\n0.579598 0.964485 0.330888 Fe\n0.206253 0.151683 0.076336 Fe\n0.657289 0.417895 0.158537 Fe\n0.539887 0.943234 0.827611 Fe\n0.024241 0.438393 0.839706 Fe\n0.067326 0.966098 0.338903 Ni\n0.308062 0.691105 0.573948 Ni\n0.795443 0.692201 0.571226 Ni\n0.308085 0.207339 0.575041 Ni\n0.800632 0.202042 0.583145 Ni\n0.537196 0.439408 0.829014 Ni\n0.445459 0.599616 0.217406 O\n0.191583 0.833507 0.458668 O\n0.683960 0.850417 0.464199 O\n0.161192 0.324592 0.472558 O\n0.977487 0.607449 0.214175 O\n0.445767 0.085020 0.216918 O\n0.682728 0.319952 0.465370 O\n0.939387 0.100113 0.234819 O\n0.174918 0.822070 0.939915 O\n0.429589 0.578879 0.702013 O\n0.653507 0.804819 0.932025 O\n0.164017 0.301755 0.937902 O\n0.923109 0.579500 0.711761 O\n0.411764 0.063721 0.711366 O\n0.912827 0.056921 0.709167 O\n0.625898 0.297581 0.961438 O\n",
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],
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"formula_full": "Mg1 Fe7 Ni6 O16",
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"energy": -217.8876002,
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"updated_at": "2021-11-28T01:34:31.656000Z",
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{
"id": "mp-772389",
"created_at": "2022-09-04T14:39:06.562747Z",
"structure_string": "Ba18 Rh16 O54\n1.0\n10.124570 0.000000 0.000000\n5.020373 8.794071 0.000000\n1.734244 2.810928 14.863492\nBa Rh O\n18 16 54\ndirect\n0.016458 0.749259 0.759980 Ba\n0.322169 0.985452 0.078050 Ba\n0.338832 0.686097 0.926799 Ba\n0.008391 0.347869 0.920581 Ba\n0.649007 0.953759 0.259129 Ba\n0.332063 0.583333 0.254832 Ba\n0.673572 0.804054 0.575190 Ba\n0.340580 0.465378 0.581271 Ba\n0.005671 0.125979 0.591408 Ba\n0.659329 0.530873 0.418908 Ba\n0.327231 0.201731 0.421084 Ba\n0.991378 0.870464 0.416547 Ba\n0.706011 0.373687 0.761758 Ba\n0.329462 0.064224 0.758849 Ba\n0.661234 0.309237 0.090041 Ba\n0.988566 0.652135 0.077359 Ba\n0.677721 0.018391 0.919368 Ba\n0.960242 0.264092 0.260713 Ba\n0.004980 0.998915 0.986984 Rh\n0.312870 0.913873 0.321058 Rh\n0.333826 0.832114 0.499727 Rh\n0.999652 0.501718 0.499019 Rh\n0.364497 0.743765 0.676509 Rh\n0.017829 0.429001 0.675450 Rh\n0.332602 0.333036 0.999731 Rh\n0.666180 0.669971 0.998854 Rh\n0.685971 0.708043 0.818629 Rh\n0.353538 0.373002 0.820528 Rh\n0.987962 0.954120 0.173976 Rh\n0.305154 0.294239 0.177000 Rh\n0.647033 0.636152 0.176085 Rh\n0.979931 0.579752 0.320136 Rh\n0.663832 0.172544 0.488418 Rh\n0.678287 0.090052 0.674611 Rh\n0.007030 0.852551 0.925995 O\n0.224363 0.855692 0.762967 O\n0.136797 0.944118 0.254988 O\n0.009127 0.620437 0.586522 O\n0.346926 0.939179 0.595267 O\n0.194918 0.788509 0.595719 O\n0.148116 0.822823 0.086781 O\n0.523887 0.840264 0.899782 O\n0.194520 0.508418 0.901076 O\n0.472995 0.877049 0.404044 O\n0.143741 0.538619 0.403647 O\n0.325449 0.722495 0.403846 O\n0.699484 0.882048 0.735370 O\n0.206175 0.387465 0.736167 O\n0.023273 0.244086 0.744874 O\n0.554740 0.698690 0.734269 O\n0.386974 0.536764 0.737093 O\n0.460847 0.800451 0.229535 O\n0.120172 0.461020 0.228726 O\n0.820400 0.986308 0.576822 O\n0.500181 0.642919 0.570894 O\n0.159060 0.312544 0.577897 O\n0.166309 0.315814 0.077727 O\n0.848122 0.974790 0.082446 O\n0.657968 0.809365 0.077392 O\n0.323975 0.465209 0.085030 O\n0.506251 0.648372 0.083983 O\n0.339100 0.202456 0.913234 O\n0.824932 0.692562 0.912416 O\n0.675685 0.536214 0.912786 O\n0.495467 0.351216 0.914092 O\n0.172489 0.016123 0.926778 O\n0.171288 0.018760 0.421929 O\n0.841272 0.689170 0.419342 O\n0.498061 0.360007 0.431799 O\n0.525330 0.201118 0.764427 O\n0.881606 0.548293 0.767517 O\n0.783277 0.636262 0.260956 O\n0.973773 0.776890 0.254244 O\n0.449237 0.277050 0.255928 O\n0.277052 0.128731 0.261339 O\n0.638879 0.463974 0.253902 O\n0.668239 0.277757 0.592808 O\n0.519488 0.129802 0.584483 O\n0.856406 0.464230 0.593558 O\n0.808140 0.498551 0.097170 O\n0.470395 0.158851 0.098412 O\n0.844061 0.180337 0.923678 O\n0.988148 0.392743 0.403569 O\n0.661315 0.035434 0.421229 O\n0.824363 0.200065 0.426554 O\n0.843788 0.062437 0.740863 O\n0.820066 0.101540 0.235729 O\n0.997500 0.124391 0.082355 O\n",
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],
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"volume": 1323.3886594941107,
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"formula_full": "Ba18 Rh16 O54",
"formula_reduced": "Ba9Rh8O27",
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{
"id": "mp-1073493",
"created_at": "2022-09-04T14:39:06.717315Z",
"structure_string": "Mg8 Si16\n1.0\n6.223385 0.000000 0.000000\n-0.090206 6.861777 0.000000\n-0.271809 -0.050732 10.259640\nMg Si\n8 16\ndirect\n0.681324 0.891020 0.130395 Mg\n0.434025 0.130884 0.625854 Mg\n0.725386 0.453633 0.353299 Mg\n0.112601 0.327484 0.897888 Mg\n0.266542 0.529308 0.406677 Mg\n0.628341 0.444791 0.863494 Mg\n0.184676 0.976449 0.116027 Mg\n0.942573 0.242700 0.608828 Mg\n0.905397 0.273576 0.134911 Si\n0.621341 0.511754 0.604986 Si\n0.944156 0.819446 0.357345 Si\n0.299645 0.731162 0.883567 Si\n0.038746 0.161485 0.347556 Si\n0.439334 0.071519 0.904950 Si\n0.018699 0.609823 0.166962 Si\n0.761820 0.838695 0.637141 Si\n0.560590 0.841066 0.416319 Si\n0.927908 0.723465 0.935048 Si\n0.520425 0.271362 0.111245 Si\n0.256901 0.533404 0.677661 Si\n0.390784 0.600259 0.109169 Si\n0.132873 0.837826 0.575817 Si\n0.425702 0.153441 0.328019 Si\n0.799842 0.025288 0.837592 Si\n",
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{
"id": "mp-1221062",
"created_at": "2022-09-04T14:39:06.897513Z",
"structure_string": "Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n",
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]
}