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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=91",
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"results": [
{
"id": "mp-759528",
"created_at": "2022-09-04T14:47:26.953992Z",
"structure_string": "Li3 V3 Fe3 P6 H6 O30\n1.0\n-6.905450 0.000000 0.000000\n-0.075823 -7.483836 0.000000\n3.332674 1.760974 10.460811\nLi V Fe P H O\n3 3 3 6 6 30\ndirect\n0.250837 0.311586 0.158891 Li\n0.083492 0.353435 0.507092 Li\n0.749319 0.687987 0.839977 Li\n0.169187 0.333041 0.834372 V\n0.829031 0.664410 0.166414 V\n0.502417 0.000119 0.501061 V\n0.666052 0.331173 0.332734 Fe\n0.331006 0.672741 0.665885 Fe\n0.999438 0.998180 0.999393 Fe\n0.054973 0.073121 0.300250 P\n0.613293 0.258015 0.031079 P\n0.278777 0.592565 0.365110 P\n0.721436 0.406231 0.635683 P\n0.386873 0.740628 0.967480 P\n0.945606 0.924847 0.699637 P\n0.042691 0.669222 0.018581 H\n0.689647 0.998239 0.341201 H\n0.375678 0.336716 0.684809 H\n0.642617 0.666976 0.325760 H\n0.308803 0.002540 0.658422 H\n0.956677 0.329954 0.981407 H\n0.140697 0.079147 0.188225 O\n0.227790 0.088777 0.429498 O\n0.105573 0.579245 0.235857 O\n0.082178 0.100865 0.721548 O\n0.521361 0.269953 0.142488 O\n0.739236 0.091022 0.021021 O\n0.194123 0.584351 0.477343 O\n0.597357 0.084711 0.369813 O\n0.402155 0.422900 0.344832 O\n0.756260 0.429957 0.050502 O\n0.072784 0.255516 0.972137 O\n0.561829 0.746061 0.094512 O\n0.258732 0.410129 0.693904 O\n0.074756 0.759896 0.685818 O\n0.417340 0.764750 0.386649 O\n0.576242 0.237806 0.615616 O\n0.930494 0.242275 0.320422 O\n0.735626 0.581154 0.296918 O\n0.438991 0.254979 0.903654 O\n0.926626 0.743595 0.027216 O\n0.244571 0.568061 0.948133 O\n0.600424 0.577843 0.652281 O\n0.399604 0.915351 0.629070 O\n0.811981 0.396821 0.524284 O\n0.260559 0.907480 0.977910 O\n0.478199 0.725883 0.855577 O\n0.917336 0.900028 0.278487 O\n0.893274 0.419746 0.765565 O\n0.770770 0.920107 0.573022 O\n0.857964 0.921593 0.811643 O\n",
"nsites": 51,
"nelements": 6,
"elements": [
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"V",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P-V",
"density": 3.111719173843957,
"density_atomic": 0.09433841463882453,
"volume": 540.6069223789053,
"volume_molar": 6.383550945874827,
"formula_full": "Li3 V3 Fe3 P6 H6 O30",
"formula_reduced": "LiVFeP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -376.87811077,
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"energy_uncorrected": -344.40011077,
"band_gap": 1.0928000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.385000Z",
"spacegroup": 1
},
{
"id": "mp-1235141",
"created_at": "2022-09-04T14:47:27.645419Z",
"structure_string": "Rb1 Li1 Cu2 H3 S2 O10\n1.0\n-4.323754 -3.087416 2.398490\n4.504676 -3.455040 -2.586752\n3.823050 -3.208329 5.774824\nRb Li Cu H S O\n1 1 2 3 2 10\ndirect\n0.492486 0.002518 0.504926 Rb\n0.255701 0.223588 0.997206 Li\n0.989725 0.508091 0.000307 Cu\n0.521496 0.898522 0.046492 Cu\n0.739077 0.559227 0.756949 H\n0.237258 0.446661 0.229552 H\n0.585509 0.558270 0.955728 H\n0.065961 0.221963 0.708965 S\n0.923884 0.776750 0.291252 S\n0.766727 0.074119 0.778793 O\n0.154982 0.445080 0.774440 O\n0.226759 0.925752 0.213808 O\n0.823629 0.548979 0.237547 O\n0.681762 0.479642 0.899731 O\n0.294899 0.529012 0.087760 O\n0.175158 0.059277 0.802575 O\n0.834756 0.959629 0.193568 O\n0.163588 0.317034 0.498983 O\n0.832434 0.697280 0.500418 O\n",
"nsites": 19,
"nelements": 6,
"elements": [
"Rb",
"Li",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Li-O-Rb-S",
"density": 3.2244520658349654,
"density_atomic": 0.08260273594929883,
"volume": 230.01659426465136,
"volume_molar": 7.290485830513364,
"formula_full": "Rb1 Li1 Cu2 H3 S2 O10",
"formula_reduced": "RbLiCu2H3(SO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -110.0745545,
"energy_per_atom": -5.793397605263158,
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"total_magnetization": 0.9993041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.398000Z",
"spacegroup": 1
},
{
"id": "mp-1233428",
"created_at": "2022-09-04T14:47:33.506688Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.606304 -0.044949 -0.031032\n4.310699 -7.518090 -0.006937\n4.309583 -2.525274 -7.089279\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.749827 0.749799 0.750034 Mg\n0.562539 0.144044 0.145588 V\n0.988700 0.004796 0.002575 Cr\n0.513044 0.495235 0.495817 Cr\n0.114026 0.628674 0.628851 Fe\n0.385595 0.871936 0.871600 Fe\n0.947984 0.351261 0.350631 Fe\n0.249639 0.250442 0.542200 P\n0.249073 0.958191 0.250370 P\n0.250180 0.541915 0.958108 P\n0.748911 0.448905 0.052902 P\n0.751268 0.051965 0.748182 P\n0.748746 0.749182 0.449359 P\n0.075510 0.095437 0.348857 O\n0.075679 0.480042 0.094658 O\n0.073995 0.350436 0.481575 O\n0.190002 0.109861 0.750131 O\n0.421537 0.150781 0.407171 O\n0.308313 0.391568 0.550073 O\n0.190067 0.951364 0.109345 O\n0.308636 0.751550 0.391387 O\n0.575476 0.613118 0.001214 O\n0.308257 0.550272 0.750929 O\n0.774999 0.247619 0.070702 O\n0.577419 0.000408 0.809542 O\n0.424436 0.018834 0.150429 O\n0.191043 0.748692 0.952010 O\n0.723963 0.430418 0.253112 O\n0.424794 0.404214 0.018251 O\n0.724922 0.252811 0.591859 O\n0.778792 0.069081 0.904834 O\n0.724157 0.592587 0.430021 O\n0.575752 0.808847 0.613738 O\n0.773669 0.907691 0.248344 O\n0.922660 0.690929 0.499109 O\n0.922289 0.499763 0.888012 O\n0.924101 0.887331 0.688479 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
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"V",
"Cr",
"Fe",
"P",
"O"
],
"chemical_system": "Cr-Fe-Mg-O-P-V",
"density": 3.3341310528172605,
"density_atomic": 0.08105028627017437,
"volume": 456.50671580188606,
"volume_molar": 7.43012892011966,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -296.73589559,
"energy_per_atom": -8.01988907,
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"energy_uncorrected": -267.78189559,
"band_gap": 0.8517000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.577000Z",
"spacegroup": 146
},
{
"id": "mp-693409",
"created_at": "2022-09-04T14:47:34.644810Z",
"structure_string": "Ca10 Ti8 Nb1 Al1 Si10 O50\n1.0\n6.666785 0.000000 0.000000\n-2.911471 -6.513426 0.000000\n-3.258345 0.034465 -21.926401\nCa Ti Nb Al Si O\n10 8 1 1 10 50\ndirect\n0.165519 0.247812 0.331399 Ca\n0.635691 0.748624 0.268661 Ca\n0.765018 0.249881 0.531428 Ca\n0.234982 0.750119 0.468572 Ca\n0.364309 0.251376 0.731339 Ca\n0.834481 0.752188 0.668601 Ca\n0.978006 0.262321 0.931407 Ca\n0.434147 0.735163 0.868606 Ca\n0.565853 0.264837 0.131394 Ca\n0.021994 0.737679 0.068593 Ca\n0.100973 0.996674 0.199448 Ti\n0.699558 0.998994 0.400159 Ti\n0.699610 0.499089 0.399874 Ti\n0.300442 0.001006 0.599841 Ti\n0.300390 0.500911 0.600126 Ti\n0.899027 0.003326 0.800552 Ti\n0.898282 0.498355 0.799901 Ti\n0.101718 0.501645 0.200099 Ti\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Al\n0.164231 0.748750 0.327777 Si\n0.636344 0.248157 0.272143 Si\n0.763638 0.749209 0.527854 Si\n0.236362 0.250791 0.472146 Si\n0.363656 0.751843 0.727857 Si\n0.835769 0.251250 0.672223 Si\n0.952842 0.743340 0.928155 Si\n0.434182 0.254944 0.872235 Si\n0.565818 0.745056 0.127765 Si\n0.047158 0.256660 0.071845 Si\n0.427299 0.092729 0.224915 O\n0.243353 0.614945 0.285231 O\n0.111531 0.247417 0.227531 O\n0.044877 0.883457 0.285435 O\n0.800125 0.408027 0.225806 O\n0.000774 0.590298 0.374328 O\n0.755636 0.113170 0.314392 O\n0.685865 0.747987 0.372514 O\n0.025983 0.090577 0.425329 O\n0.557536 0.381775 0.314792 O\n0.841870 0.614790 0.485325 O\n0.373265 0.905807 0.374801 O\n0.713783 0.248561 0.427552 O\n0.643407 0.883288 0.485476 O\n0.398559 0.405994 0.425568 O\n0.601441 0.594006 0.574432 O\n0.356593 0.116712 0.514524 O\n0.286217 0.751439 0.572448 O\n0.626735 0.094193 0.625199 O\n0.158130 0.385210 0.514675 O\n0.442464 0.618225 0.685208 O\n0.974017 0.909423 0.574671 O\n0.314135 0.252013 0.627486 O\n0.244364 0.886830 0.685608 O\n0.999226 0.409702 0.625672 O\n0.199875 0.591973 0.774194 O\n0.955123 0.116543 0.714565 O\n0.888469 0.752583 0.772469 O\n0.224591 0.096423 0.825823 O\n0.756647 0.385055 0.714769 O\n0.038554 0.613633 0.885897 O\n0.572701 0.907271 0.775085 O\n0.910983 0.250360 0.827642 O\n0.840074 0.881784 0.885115 O\n0.596765 0.411592 0.825228 O\n0.793056 0.590106 0.975198 O\n0.555568 0.116858 0.913354 O\n0.484868 0.743730 0.972918 O\n0.833929 0.094589 0.025351 O\n0.360366 0.385987 0.916299 O\n0.639634 0.614013 0.083701 O\n0.166071 0.905411 0.974649 O\n0.515132 0.256270 0.027082 O\n0.444432 0.883142 0.086646 O\n0.206944 0.409894 0.024802 O\n0.403235 0.588408 0.174772 O\n0.159926 0.118216 0.114885 O\n0.089017 0.749640 0.172358 O\n0.961446 0.386367 0.114103 O\n0.775409 0.903577 0.174177 O\n",
"nsites": 80,
"nelements": 6,
"elements": [
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"Ti",
"Nb",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-Nb-O-Si-Ti",
"density": 3.460918395877231,
"density_atomic": 0.08402271323783232,
"volume": 952.1235022910324,
"volume_molar": 7.167277189625974,
"formula_full": "Ca10 Ti8 Nb1 Al1 Si10 O50",
"formula_reduced": "Ca10Ti8NbAl(SiO5)10",
"formula_anonymous": "ABC8D10E10F50",
"energy": -674.94663702,
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"updated_at": "2021-11-28T01:38:12.008000Z",
"spacegroup": 2
},
{
"id": "mp-1224735",
"created_at": "2022-09-04T14:47:36.349149Z",
"structure_string": "K12 Ag4 As8 C1 Se20 O1\n1.0\n9.401804 0.000000 0.000000\n-0.040331 11.871659 0.000000\n-3.804980 -0.057056 12.648263\nK Ag As C Se O\n12 4 8 1 20 1\ndirect\n0.538204 0.285484 0.573471 K\n0.445606 0.797793 0.917248 K\n0.462861 0.703914 0.416811 K\n0.527866 0.199824 0.080373 K\n0.859675 0.850618 0.763674 K\n0.139024 0.364046 0.708027 K\n0.133531 0.124468 0.194436 K\n0.861660 0.626329 0.301344 K\n0.849972 0.251697 0.396336 K\n0.145008 0.748877 0.105361 K\n0.154908 0.743473 0.603452 K\n0.837518 0.257536 0.878797 K\n0.665311 0.992569 0.533707 Ag\n0.327197 0.492491 0.966040 Ag\n0.331130 0.007407 0.460762 Ag\n0.665226 0.508739 0.039262 Ag\n0.501571 0.079172 0.751331 As\n0.494745 0.568552 0.749229 As\n0.505773 0.925100 0.254507 As\n0.487866 0.427813 0.246825 As\n0.090813 0.054843 0.615228 As\n0.895559 0.553379 0.879658 As\n0.916515 0.942817 0.392854 As\n0.079871 0.444173 0.109460 As\n0.909756 0.040920 0.976327 C\n0.809058 0.809013 0.485621 Se\n0.183535 0.311899 0.013854 Se\n0.190380 0.185578 0.517027 Se\n0.796259 0.688009 0.975048 Se\n0.876168 0.142481 0.650073 Se\n0.111857 0.639155 0.846943 Se\n0.127275 0.852480 0.353464 Se\n0.866601 0.354343 0.146755 Se\n0.497394 0.903401 0.655400 Se\n0.500931 0.397191 0.849999 Se\n0.511862 0.101869 0.350390 Se\n0.485950 0.602788 0.149475 Se\n0.731215 0.991261 0.951820 Se\n0.341204 0.519406 0.567243 Se\n0.346041 0.966596 0.083420 Se\n0.650066 0.469591 0.417395 Se\n0.276763 0.066062 0.799859 Se\n0.721015 0.565732 0.693878 Se\n0.741546 0.929619 0.209780 Se\n0.250287 0.434100 0.292124 Se\n0.157428 0.525388 0.575912 O\n",
"nsites": 46,
"nelements": 6,
"elements": [
"K",
"Ag",
"As",
"C",
"Se",
"O"
],
"chemical_system": "Ag-As-C-K-O-Se",
"density": 3.654851580385577,
"density_atomic": 0.03258399553305292,
"volume": 1411.736014797142,
"volume_molar": 18.481897819717023,
"formula_full": "K12 Ag4 As8 C1 Se20 O1",
"formula_reduced": "K12Ag4As8CSe20O",
"formula_anonymous": "ABC4D8E12F20",
"energy": -180.58883125,
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"energy_uncorrected": -170.46183125,
"band_gap": 0.6591000000000002,
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"updated_at": "2021-11-28T01:38:20.039000Z",
"spacegroup": 1
},
{
"id": "mp-600202",
"created_at": "2022-09-04T14:47:45.283877Z",
"structure_string": "Mn4 H40 C4 N4 Cl12 O8\n1.0\n9.136173 0.000000 0.000000\n0.000000 7.950292 0.000000\n0.000000 0.396000 11.587212\nMn H C N Cl O\n4 40 4 4 12 8\ndirect\n0.497879 0.962739 0.750562 Mn\n0.997879 0.037261 0.749438 Mn\n0.002121 0.962739 0.250562 Mn\n0.502121 0.037261 0.249438 Mn\n0.525795 0.834433 0.052256 H\n0.174568 0.185504 0.377882 H\n0.915005 0.379618 0.352772 H\n0.012000 0.810968 0.945526 H\n0.512000 0.189032 0.554474 H\n0.677574 0.443989 0.433082 H\n0.720034 0.635576 0.914260 H\n0.791152 0.354141 0.250290 H\n0.279966 0.364424 0.085740 H\n0.584995 0.379618 0.852772 H\n0.674568 0.814496 0.122118 H\n0.827428 0.166658 0.103048 H\n0.172572 0.833342 0.896952 H\n0.825432 0.814496 0.622118 H\n0.392390 0.470211 0.253009 H\n0.220034 0.364424 0.585740 H\n0.084995 0.620382 0.647228 H\n0.208848 0.645859 0.749710 H\n0.672572 0.166658 0.603048 H\n0.144280 0.416482 0.189270 H\n0.708848 0.354141 0.750290 H\n0.855720 0.583518 0.810730 H\n0.322426 0.556011 0.566918 H\n0.415005 0.620382 0.147228 H\n0.177574 0.556011 0.066918 H\n0.644280 0.583518 0.310730 H\n0.779966 0.635576 0.414260 H\n0.025795 0.165567 0.447744 H\n0.607610 0.529789 0.746991 H\n0.974205 0.834433 0.552256 H\n0.291152 0.645859 0.249710 H\n0.988000 0.189032 0.054474 H\n0.474205 0.165567 0.947744 H\n0.327428 0.833342 0.396952 H\n0.355720 0.416482 0.689270 H\n0.892390 0.529789 0.246991 H\n0.325432 0.185504 0.877882 H\n0.107610 0.470211 0.753009 H\n0.488000 0.810968 0.445526 H\n0.822426 0.443989 0.933082 H\n0.772849 0.532235 0.870389 C\n0.272849 0.467765 0.629611 C\n0.727151 0.532235 0.370389 C\n0.227151 0.467765 0.129611 C\n0.339044 0.556911 0.198352 N\n0.660956 0.443089 0.801648 N\n0.839044 0.443089 0.301648 N\n0.160956 0.556911 0.698352 N\n0.096146 0.253940 0.884689 Cl\n0.750953 0.012419 0.344459 Cl\n0.249047 0.987581 0.655541 Cl\n0.588734 0.263840 0.106797 Cl\n0.250953 0.987581 0.155541 Cl\n0.403854 0.253940 0.384689 Cl\n0.903854 0.746060 0.115311 Cl\n0.749047 0.012419 0.844459 Cl\n0.088734 0.736160 0.393203 Cl\n0.596146 0.746060 0.615311 Cl\n0.411266 0.736160 0.893203 Cl\n0.911266 0.263840 0.606797 Cl\n0.067367 0.169355 0.369067 O\n0.567367 0.830645 0.130933 O\n0.932633 0.830645 0.630933 O\n0.068839 0.828079 0.873609 O\n0.431161 0.828079 0.373609 O\n0.432633 0.169355 0.869067 O\n0.568839 0.171921 0.626391 O\n0.931161 0.171921 0.126391 O\n",
"nsites": 72,
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"elements": [
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"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-Mn-N-O",
"density": 1.8103486832269347,
"density_atomic": 0.08554726886693974,
"volume": 841.6399606162627,
"volume_molar": 7.039547655655543,
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{
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}