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{
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"results": [
{
"id": "mp-766571",
"created_at": "2022-09-04T14:45:57.392227Z",
"structure_string": "Li6 Cr8 P12 O48\n1.0\n8.356828 0.000000 0.000000\n-0.017095 8.635543 0.000000\n-0.033651 -0.024726 11.917985\nLi Cr P O\n6 8 12 48\ndirect\n0.807481 0.213686 0.821867 Li\n0.680751 0.715029 0.680745 Li\n0.572663 0.405346 0.194761 Li\n0.181249 0.788813 0.178748 Li\n0.081529 0.090170 0.690806 Li\n0.080767 0.499838 0.342246 Li\n0.746602 0.973955 0.114631 Cr\n0.750932 0.535015 0.886719 Cr\n0.748278 0.473138 0.391074 Cr\n0.743478 0.033171 0.612751 Cr\n0.252556 0.969448 0.385290 Cr\n0.244724 0.527396 0.613214 Cr\n0.246536 0.465657 0.112864 Cr\n0.257429 0.023973 0.890156 Cr\n0.967155 0.751215 0.507942 P\n0.886985 0.618469 0.147107 P\n0.887518 0.891731 0.857950 P\n0.607472 0.115546 0.350860 P\n0.611081 0.391019 0.645090 P\n0.534427 0.248926 0.991638 P\n0.465195 0.750112 0.008207 P\n0.388051 0.611450 0.356837 P\n0.390090 0.881352 0.645687 P\n0.113379 0.111465 0.144862 P\n0.109957 0.382869 0.850208 P\n0.037997 0.248219 0.491400 P\n0.942408 0.127851 0.559771 O\n0.935126 0.106852 0.106961 O\n0.942661 0.331249 0.398400 O\n0.929326 0.417052 0.824445 O\n0.914050 0.634097 0.417627 O\n0.880714 0.795896 0.158666 O\n0.871060 0.007280 0.757345 O\n0.864195 0.571634 0.023674 O\n0.829878 0.730311 0.818078 O\n0.819282 0.822060 0.565346 O\n0.770187 0.526134 0.222459 O\n0.777346 0.952233 0.951232 O\n0.723065 0.445300 0.550661 O\n0.719267 0.022340 0.272631 O\n0.679140 0.323907 0.931899 O\n0.665397 0.228435 0.683944 O\n0.641834 0.080003 0.473154 O\n0.637783 0.507954 0.742706 O\n0.623733 0.292386 0.330984 O\n0.597906 0.138824 0.082609 O\n0.565981 0.918231 0.678652 O\n0.568899 0.827800 0.100288 O\n0.561050 0.616699 0.396840 O\n0.561754 0.625448 0.945155 O\n0.446028 0.374273 0.059005 O\n0.434374 0.393686 0.607253 O\n0.427770 0.174494 0.899052 O\n0.432137 0.071173 0.322743 O\n0.404437 0.862355 0.916524 O\n0.380205 0.703674 0.658630 O\n0.371981 0.501614 0.254324 O\n0.362405 0.926414 0.523371 O\n0.322892 0.772363 0.318258 O\n0.317883 0.677632 0.065575 O\n0.274882 0.974128 0.722982 O\n0.267820 0.551252 0.446723 O\n0.223803 0.053151 0.049915 O\n0.218462 0.477595 0.772045 O\n0.182972 0.168598 0.438443 O\n0.159053 0.276372 0.180534 O\n0.144112 0.422360 0.971544 O\n0.137220 0.995886 0.242419 O\n0.122323 0.203470 0.831833 O\n0.101147 0.358891 0.584105 O\n0.062680 0.578786 0.184718 O\n0.071342 0.675945 0.602113 O\n0.065736 0.890927 0.893567 O\n0.063219 0.876767 0.445210 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.0838538952496197,
"density_atomic": 0.08603947873420785,
"volume": 860.0702966669514,
"volume_molar": 6.999276202734244,
"formula_full": "Li6 Cr8 P12 O48",
"formula_reduced": "Li3Cr4(PO4)6",
"formula_anonymous": "A3B4C6D24",
"energy": -577.1170349099999,
"energy_per_atom": -7.798878850135134,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:11.452000Z",
"spacegroup": 1
},
{
"id": "mp-625961",
"created_at": "2022-09-04T14:45:57.577047Z",
"structure_string": "H20 I4 O24\n1.0\n5.095449 0.000000 0.000000\n1.846095 4.984721 0.000000\n0.339698 0.208970 18.979558\nH I O\n20 4 24\ndirect\n0.172507 0.159186 0.497460 H\n0.668359 0.666371 0.006178 H\n0.825324 0.849289 0.507862 H\n0.330662 0.345356 0.000811 H\n0.976791 0.732575 0.393312 H\n0.542853 0.788215 0.889332 H\n0.504583 0.351300 0.436667 H\n0.993115 0.839882 0.067360 H\n0.504584 0.662180 0.566548 H\n0.996859 0.182827 0.939465 H\n0.766291 0.009885 0.288083 H\n0.303981 0.537318 0.240358 H\n0.269824 0.772206 0.740461 H\n0.776911 0.298437 0.764113 H\n0.462649 0.126063 0.134786 H\n0.046740 0.379445 0.634791 H\n0.258995 0.016387 0.276244 H\n0.882521 0.542764 0.191944 H\n0.589478 0.979323 0.688201 H\n0.086037 0.495140 0.820832 H\n0.964760 0.204403 0.378308 I\n0.451405 0.668656 0.124147 I\n0.043240 0.839273 0.623557 I\n0.540561 0.318073 0.879569 I\n0.233597 0.201118 0.448921 O\n0.710521 0.720668 0.054351 O\n0.776313 0.801200 0.557072 O\n0.273699 0.306297 0.952252 O\n0.934801 0.889810 0.427371 O\n0.423649 0.374502 0.080997 O\n0.076515 0.137183 0.581170 O\n0.572750 0.628671 0.924626 O\n0.664788 0.419298 0.437112 O\n0.138577 0.921199 0.077091 O\n0.343837 0.595754 0.569334 O\n0.843858 0.105542 0.937636 O\n0.688430 0.184793 0.311181 O\n0.195233 0.641304 0.200331 O\n0.296504 0.865615 0.696596 O\n0.795496 0.382314 0.809215 O\n0.016231 0.491919 0.336143 O\n0.489301 0.972620 0.170723 O\n0.010059 0.530824 0.670721 O\n0.510974 0.025679 0.838534 O\n0.247623 0.937919 0.322973 O\n0.752078 0.446697 0.180318 O\n0.742488 0.056455 0.683837 O\n0.240436 0.569585 0.825172 O\n",
"nsites": 48,
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"elements": [
"H",
"I",
"O"
],
"chemical_system": "H-I-O",
"density": 3.140662796023858,
"density_atomic": 0.09957076150447608,
"volume": 482.06922669605393,
"volume_molar": 6.048101540058305,
"formula_full": "H20 I4 O24",
"formula_reduced": "H5IO6",
"formula_anonymous": "AB5C6",
"energy": -240.05931394,
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"updated_at": "2021-11-28T01:37:10.995000Z",
"spacegroup": 1
},
{
"id": "mp-582988",
"created_at": "2022-09-04T14:45:57.404148Z",
"structure_string": "Bi12 Pt1 Cl12\n1.0\n9.334588 0.000000 0.000000\n0.395965 9.406456 0.000000\n0.093668 0.091424 9.542147\nBi Pt Cl\n12 1 12\ndirect\n0.035416 0.285266 0.033993 Bi\n0.708512 0.041155 0.039837 Bi\n0.963791 0.712603 0.968192 Bi\n0.542659 0.497363 0.760860 Bi\n0.542646 0.729071 0.552168 Bi\n0.290178 0.959123 0.958279 Bi\n0.033322 0.954745 0.283618 Bi\n0.964662 0.038658 0.715591 Bi\n0.453705 0.261292 0.398268 Bi\n0.475409 0.546483 0.272814 Bi\n0.718124 0.437168 0.484032 Bi\n0.287810 0.497866 0.560737 Bi\n0.999369 0.999219 0.999717 Pt\n0.667694 0.071523 0.750278 Cl\n0.667880 0.750055 0.017864 Cl\n0.070873 0.248199 0.325771 Cl\n0.263291 0.990745 0.667769 Cl\n0.737337 0.001903 0.332184 Cl\n0.330908 0.918683 0.249352 Cl\n0.003450 0.662298 0.253458 Cl\n0.738559 0.337297 0.073785 Cl\n0.330784 0.247982 0.989546 Cl\n0.927271 0.750769 0.673733 Cl\n0.996370 0.337733 0.743688 Cl\n0.260378 0.660699 0.931967 Cl\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"Cl"
],
"chemical_system": "Bi-Cl-Pt",
"density": 6.199948707579308,
"density_atomic": 0.029838207054170333,
"volume": 837.8519511783426,
"volume_molar": 20.182649544146507,
"formula_full": "Bi12 Pt1 Cl12",
"formula_reduced": "Bi12PtCl12",
"formula_anonymous": "AB12C12",
"energy": -97.97156698,
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"updated_at": "2021-11-28T01:37:09.501000Z",
"spacegroup": 1
},
{
"id": "mp-743762",
"created_at": "2022-09-04T14:45:57.473026Z",
"structure_string": "Ca2 Al4 Si8 H14 O31\n1.0\n8.980569 0.000000 0.000000\n-1.297813 9.199466 0.000000\n-0.067653 -2.099336 9.617068\nCa Al Si H O\n2 4 8 14 31\ndirect\n0.860650 0.936982 0.781622 Ca\n0.133201 0.884916 0.142046 Ca\n0.477680 0.728586 0.894730 Al\n0.801035 0.677808 0.501806 Al\n0.545359 0.269275 0.177837 Al\n0.388077 0.274977 0.523884 Al\n0.234323 0.035366 0.518578 Si\n0.609282 0.085539 0.329029 Si\n0.127385 0.438560 0.371227 Si\n0.341426 0.402406 0.125056 Si\n0.589874 0.424377 0.807475 Si\n0.868920 0.512202 0.655022 Si\n0.364202 0.927900 0.801635 Si\n0.776256 0.896190 0.391923 Si\n0.867135 0.906287 0.038060 H\n0.520343 0.825084 0.234874 H\n0.348745 0.835734 0.558242 H\n0.209445 0.445885 0.580192 H\n0.564904 0.299768 0.879461 H\n0.076970 0.579677 0.436530 H\n0.302406 0.446504 0.995494 H\n0.900942 0.255988 0.131316 H\n0.304571 0.135104 0.938999 H\n0.911896 0.295580 0.397656 H\n0.024129 0.346772 0.691439 H\n0.766852 0.464977 0.105382 H\n0.927867 0.060143 0.298980 H\n0.151051 0.142325 0.776836 H\n0.208013 0.456413 0.229960 O\n0.328572 0.930618 0.615804 O\n0.572763 0.893675 0.316056 O\n0.756652 0.867666 0.554263 O\n0.552265 0.997242 0.827513 O\n0.560164 0.577784 0.909462 O\n0.904536 0.694491 0.671044 O\n0.361196 0.746051 0.755067 O\n0.912169 0.950871 0.285752 O\n0.316875 0.916290 0.982323 O\n0.358124 0.785250 0.037942 O\n0.795025 0.713687 0.333293 O\n0.256602 0.409967 0.488755 O\n0.507067 0.458944 0.204365 O\n0.960256 0.916333 0.987458 O\n0.483304 0.386250 0.667171 O\n0.780059 0.481638 0.501429 O\n0.028028 0.437493 0.653819 O\n0.737486 0.357835 0.101126 O\n0.866063 0.286237 0.047025 O\n0.060940 0.031975 0.597851 O\n0.497070 0.214501 0.375595 O\n0.994538 0.293586 0.331586 O\n0.352839 0.221883 0.098981 O\n0.638849 0.113425 0.174780 O\n0.217536 0.933349 0.366174 O\n0.281509 0.083051 0.837948 O\n0.743551 0.090208 0.440665 O\n0.770599 0.446149 0.772078 O\n0.625375 0.881326 0.878850 O\n0.058250 0.156298 0.721332 O\n",
"nsites": 59,
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"elements": [
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"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-Ca-H-O-Si",
"density": 1.9287465200702383,
"density_atomic": 0.07425793228831744,
"volume": 794.5279134749369,
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"formula_full": "Ca2 Al4 Si8 H14 O31",
"formula_reduced": "Ca2Al4Si8H14O31",
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"energy": -385.6466121,
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"spacegroup": 1
},
{
"id": "mp-1075620",
"created_at": "2022-09-04T14:45:57.621801Z",
"structure_string": "Mg10 Si18\n1.0\n6.366337 0.000000 0.000000\n-2.549661 -6.843838 0.000000\n-2.726678 0.383918 -11.312981\nMg Si\n10 18\ndirect\n0.891775 0.000894 0.297507 Mg\n0.192619 0.882419 0.530332 Mg\n0.970973 0.280177 0.503932 Mg\n0.880846 0.567755 0.655293 Mg\n0.453600 0.319399 0.457856 Mg\n0.629304 0.806999 0.510660 Mg\n0.533115 0.909895 0.833032 Mg\n0.397925 0.901519 0.082664 Mg\n0.237985 0.190366 0.915734 Mg\n0.570656 0.560120 0.068412 Mg\n0.959486 0.792032 0.897018 Si\n0.078847 0.504462 0.060982 Si\n0.661056 0.124981 0.644113 Si\n0.020895 0.698794 0.210253 Si\n0.589704 0.496653 0.835593 Si\n0.634650 0.274429 0.247921 Si\n0.328245 0.216985 0.684726 Si\n0.474422 0.666472 0.278882 Si\n0.845969 0.305031 0.828641 Si\n0.380322 0.957069 0.319656 Si\n0.216205 0.236900 0.153423 Si\n0.873450 0.953045 0.060378 Si\n0.975550 0.965269 0.706277 Si\n0.115412 0.406695 0.297884 Si\n0.712808 0.232146 0.012373 Si\n0.202110 0.586451 0.875042 Si\n0.820215 0.599386 0.381638 Si\n0.351976 0.563888 0.649956 Si\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.5218899789190963,
"density_atomic": 0.056805662427167995,
"volume": 492.90860811454354,
"volume_molar": 10.601303642433784,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
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"energy": -107.93851322,
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"updated_at": "2021-11-28T01:37:11.776000Z",
"spacegroup": 1
},
{
"id": "mp-772511",
"created_at": "2022-09-04T14:45:57.592503Z",
"structure_string": "Li8 Co6 Sn10 O32\n1.0\n3.045700 5.343965 0.023216\n-9.159160 5.355600 0.034927\n-0.008460 0.048173 9.871638\nLi Co Sn O\n8 6 10 32\ndirect\n0.507116 0.167024 0.892151 Li\n0.009863 0.666943 0.891327 Li\n0.972161 0.011917 0.985364 Li\n0.470170 0.511498 0.986599 Li\n0.983946 0.002829 0.498129 Li\n0.483248 0.501591 0.498783 Li\n0.502804 0.834294 0.404528 Li\n0.998492 0.330135 0.405151 Li\n0.242743 0.584621 0.215146 Co\n0.254851 0.409993 0.717847 Co\n0.500388 0.668455 0.710351 Co\n0.745900 0.086325 0.215586 Co\n0.747079 0.910361 0.714160 Co\n0.000088 0.167846 0.710455 Co\n0.497453 0.331546 0.215803 Sn\n0.003293 0.830774 0.212724 Sn\n0.504029 0.163498 0.495565 Sn\n0.008451 0.660574 0.495965 Sn\n0.256056 0.084699 0.214642 Sn\n0.752054 0.584258 0.214606 Sn\n0.258464 0.915481 0.714064 Sn\n0.757811 0.414271 0.714286 Sn\n0.508924 0.832504 0.983854 Sn\n0.011615 0.332646 0.985942 Sn\n0.499655 0.334980 0.598024 O\n0.003865 0.834650 0.595362 O\n0.269596 0.243090 0.344564 O\n0.777223 0.740756 0.344048 O\n0.495673 0.171125 0.099974 O\n0.013633 0.661141 0.106231 O\n0.002737 0.997939 0.313043 O\n0.482757 0.506121 0.311139 O\n0.997588 0.009270 0.801102 O\n0.500516 0.497410 0.806649 O\n0.231687 0.085099 0.596231 O\n0.745402 0.573651 0.585659 O\n0.719376 0.247459 0.346522 O\n0.229486 0.730382 0.334779 O\n0.495288 0.016961 0.345216 O\n0.014621 0.516647 0.332582 O\n0.244112 0.920282 0.093373 O\n0.740159 0.420354 0.094716 O\n0.748177 0.075024 0.603034 O\n0.245325 0.569320 0.602885 O\n0.502263 0.985164 0.843868 O\n0.000078 0.483356 0.845270 O\n0.277985 0.761165 0.847995 O\n0.790724 0.252124 0.841800 O\n0.505542 0.837263 0.603454 O\n0.004073 0.321642 0.610288 O\n0.758227 0.914489 0.096482 O\n0.254363 0.427882 0.102176 O\n0.738815 0.767703 0.838609 O\n0.236732 0.266767 0.838868 O\n0.492194 0.661364 0.101438 O\n0.005427 0.165636 0.097265 O\n",
"nsites": 56,
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"elements": [
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"O"
],
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"volume": 644.1852994223559,
"volume_molar": 6.92745455115031,
"formula_full": "Li8 Co6 Sn10 O32",
"formula_reduced": "Li4Co3Sn5O16",
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"energy": -365.31512858,
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"spacegroup": 1
},
{
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{
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{
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{
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"structure_string": "Li6 Mn3 Co1 P6 O24\n1.0\n8.506785 0.000000 0.000000\n4.025195 7.526101 0.000000\n4.063781 2.302048 7.167766\nLi Mn Co P O\n6 3 1 6 24\ndirect\n0.990954 0.007778 0.006868 Li\n0.348712 0.750734 0.148923 Li\n0.507125 0.472484 0.508650 Li\n0.662578 0.218193 0.852163 Li\n0.833726 0.662754 0.225235 Li\n0.223897 0.849407 0.657724 Li\n0.140431 0.143847 0.139422 Mn\n0.354028 0.360377 0.361759 Mn\n0.646778 0.640903 0.652470 Mn\n0.853077 0.854965 0.850206 Co\n0.448219 0.052992 0.746912 P\n0.751248 0.443210 0.059747 P\n0.046933 0.744191 0.455558 P\n0.962450 0.251109 0.538150 P\n0.254624 0.550864 0.965321 P\n0.531736 0.963897 0.245160 P\n0.478653 0.136430 0.297377 O\n0.116242 0.323986 0.498573 O\n0.259845 0.056186 0.914869 O\n0.308399 0.535990 0.123648 O\n0.428279 0.241563 0.584914 O\n0.607091 0.035697 0.798124 O\n0.910399 0.251765 0.079498 O\n0.578433 0.439442 0.248635 O\n0.244442 0.581218 0.439437 O\n0.998015 0.192205 0.378256 O\n0.953256 0.091011 0.726481 O\n0.218262 0.378872 0.001664 O\n0.803270 0.604827 0.035623 O\n0.072002 0.885858 0.258652 O\n0.028128 0.805859 0.607192 O\n0.761981 0.405903 0.566732 O\n0.414844 0.575912 0.767175 O\n0.088322 0.737077 0.946321 O\n0.374800 0.975069 0.192483 O\n0.563513 0.773685 0.399473 O\n0.695161 0.471030 0.901197 O\n0.722723 0.958138 0.080947 O\n0.881383 0.685315 0.498969 O\n0.487044 0.889257 0.688494 O\n",
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{
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"structure_string": "Li1 V4 Ni2 O12\n1.0\n6.885665 -0.131412 0.084988\n-0.829956 6.676297 0.144587\n-1.376012 1.377525 5.413207\nLi V Ni O\n1 4 2 12\ndirect\n0.269109 0.412358 0.323532 Li\n0.199253 0.632800 0.735971 V\n0.390987 0.860962 0.198810 V\n0.613187 0.201298 0.771290 V\n0.782709 0.392862 0.254429 V\n0.076342 0.095702 0.769154 Ni\n0.915430 0.938070 0.269630 Ni\n0.037754 0.831698 0.640611 O\n0.070967 0.394813 0.774712 O\n0.168771 0.993721 0.143649 O\n0.337790 0.653284 0.504804 O\n0.384897 0.070674 0.805642 O\n0.339053 0.635913 0.039322 O\n0.664775 0.394251 0.941741 O\n0.631916 0.965390 0.286205 O\n0.591968 0.332070 0.449166 O\n0.798253 0.037970 0.864091 O\n0.871445 0.636563 0.240106 O\n0.985395 0.239604 0.362135 O\n",
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}