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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=61",
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"results": [
{
"id": "mp-1275686",
"created_at": "2022-09-04T14:39:33.913493Z",
"structure_string": "Li10 Fe6 Sb4 O20\n1.0\n5.380613 0.200957 0.060998\n-2.199373 10.398154 -0.338755\n-1.765078 -2.831185 7.546911\nLi Fe Sb O\n10 6 4 20\ndirect\n0.498784 0.245880 0.498398 Li\n0.501724 0.748659 0.501726 Li\n0.223570 0.441580 0.406273 Li\n0.244918 0.947230 0.406767 Li\n0.773774 0.057863 0.592045 Li\n0.766758 0.543111 0.587041 Li\n0.397995 0.151505 0.798392 Li\n0.401491 0.649425 0.798554 Li\n0.583832 0.345796 0.199407 Li\n0.595926 0.852233 0.195847 Li\n0.995649 0.747667 0.995841 Fe\n0.695030 0.448110 0.895894 Fe\n0.303441 0.052862 0.108957 Fe\n0.001177 0.250939 0.003807 Fe\n0.695541 0.946846 0.888328 Fe\n0.301879 0.551791 0.111739 Fe\n0.105196 0.354795 0.704506 Sb\n0.102642 0.851537 0.697859 Sb\n0.898879 0.141716 0.293265 Sb\n0.895973 0.648309 0.300757 Sb\n0.058391 0.034148 0.841504 O\n0.061678 0.542182 0.859683 O\n0.937721 0.463935 0.159039 O\n0.924040 0.934944 0.118266 O\n0.328883 0.352839 0.938965 O\n0.325429 0.837267 0.918119 O\n0.661510 0.155706 0.048985 O\n0.667613 0.656048 0.077143 O\n0.169767 0.173581 0.582185 O\n0.135277 0.662209 0.539176 O\n0.874951 0.361256 0.483469 O\n0.871102 0.840826 0.457247 O\n0.255292 0.256427 0.239532 O\n0.212550 0.740425 0.249635 O\n0.785215 0.260414 0.755226 O\n0.781820 0.752152 0.738395 O\n0.434705 0.456844 0.673373 O\n0.429567 0.942258 0.656836 O\n0.528713 0.040125 0.334396 O\n0.571594 0.558559 0.343423 O\n",
"nsites": 40,
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"elements": [
"Li",
"Fe",
"Sb",
"O"
],
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"density": 4.766827152899081,
"density_atomic": 0.09477941244554278,
"volume": 422.0325803663609,
"volume_molar": 6.353849010680594,
"formula_full": "Li10 Fe6 Sb4 O20",
"formula_reduced": "Li5Fe3(SbO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -262.55265941,
"energy_per_atom": -6.563816485249999,
"energy_above_hull": null,
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"energy_uncorrected": -235.27665941000004,
"band_gap": 1.0172,
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"updated_at": "2021-11-28T01:34:26.813000Z",
"spacegroup": 1
},
{
"id": "mp-753724",
"created_at": "2022-09-04T14:39:37.349151Z",
"structure_string": "Li3 Ni5 O1 F11\n1.0\n5.103266 -0.025348 0.044230\n-2.520434 1.511710 4.639976\n2.626669 -7.418278 4.655127\nLi Ni O F\n3 5 1 11\ndirect\n0.019500 0.533038 0.500516 Li\n0.503676 0.265197 0.258584 Li\n0.528006 0.793253 0.767420 Li\n0.308844 0.747767 0.149085 Ni\n0.982785 0.991827 0.996697 Ni\n0.313333 0.276364 0.647710 Ni\n0.810013 0.014388 0.407154 Ni\n0.778270 0.510487 0.903497 Ni\n0.602673 0.755691 0.957168 O\n0.087547 0.842356 0.348834 F\n0.203970 0.399388 0.299165 F\n0.215757 0.916753 0.789437 F\n0.387151 0.147925 0.043448 F\n0.409583 0.657831 0.539012 F\n0.081453 0.350090 0.851830 F\n0.903855 0.589250 0.104704 F\n0.585475 0.241704 0.452232 F\n0.710410 0.003984 0.206795 F\n0.704372 0.492243 0.698947 F\n0.913090 0.094866 0.602642 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.23164894509359,
"density_atomic": 0.09451109418171111,
"volume": 211.61536826086405,
"volume_molar": 6.371887673230799,
"formula_full": "Li3 Ni5 O1 F11",
"formula_reduced": "Li3Ni5OF11",
"formula_anonymous": "AB3C5D11",
"energy": -108.79510754,
"energy_per_atom": -5.439755377,
"energy_above_hull": null,
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"energy_uncorrected": -90.32110754,
"band_gap": 3.6106,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.991000Z",
"spacegroup": 1
},
{
"id": "mp-1220801",
"created_at": "2022-09-04T14:39:33.497306Z",
"structure_string": "Na1 Li3 Fe4 Si8 O24\n1.0\n5.360652 0.000000 0.000000\n-1.638920 6.379259 0.000000\n-2.081292 -0.636407 12.740653\nNa Li Fe Si O\n1 3 4 8 24\ndirect\n0.104294 0.708292 0.854286 Na\n0.614748 0.729630 0.364363 Li\n0.385338 0.270237 0.635286 Li\n0.885205 0.270897 0.135299 Li\n0.801100 0.100616 0.549874 Fe\n0.300046 0.101671 0.051359 Fe\n0.700184 0.900843 0.951096 Fe\n0.200099 0.899681 0.449168 Fe\n0.845230 0.615122 0.600832 Si\n0.345938 0.616736 0.104084 Si\n0.061960 0.204437 0.807906 Si\n0.567706 0.205345 0.308052 Si\n0.649717 0.382365 0.898352 Si\n0.157378 0.384836 0.397790 Si\n0.439051 0.797358 0.690636 Si\n0.933531 0.794930 0.192977 Si\n0.635048 0.645828 0.676501 O\n0.131271 0.645644 0.177811 O\n0.364023 0.354439 0.822334 O\n0.869622 0.354065 0.323338 O\n0.860665 0.352439 0.822239 O\n0.369529 0.354132 0.323331 O\n0.136206 0.646890 0.674303 O\n0.632370 0.644499 0.179248 O\n0.866403 0.798651 0.513996 O\n0.374462 0.804480 0.019448 O\n0.046509 0.037267 0.902498 O\n0.547502 0.029596 0.399091 O\n0.631180 0.199908 0.985516 O\n0.133526 0.202026 0.485500 O\n0.453902 0.971445 0.599289 O\n0.953414 0.970542 0.101691 O\n0.731572 0.375865 0.554628 O\n0.231913 0.378759 0.055206 O\n0.011028 0.108453 0.688753 O\n0.512922 0.111168 0.188520 O\n0.752876 0.619225 0.948694 O\n0.269052 0.623914 0.445118 O\n0.504786 0.896775 0.809444 O\n0.988694 0.890994 0.312145 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Na",
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-Na-O-Si",
"density": 3.3381467704894754,
"density_atomic": 0.09180798463986788,
"volume": 435.6919515977468,
"volume_molar": 6.559495651301845,
"formula_full": "Na1 Li3 Fe4 Si8 O24",
"formula_reduced": "NaLi3Fe4(SiO3)8",
"formula_anonymous": "AB3C4D8E24",
"energy": -312.90337418,
"energy_per_atom": -7.8225843545,
"energy_above_hull": null,
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"energy_uncorrected": -287.39137418,
"band_gap": 2.704,
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"is_magnetic": true,
"total_magnetization": 20.0051221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.652000Z",
"spacegroup": 1
},
{
"id": "mp-1263657",
"created_at": "2022-09-04T14:39:33.511099Z",
"structure_string": "Li20 Cr2 Si4 O20\n1.0\n0.006851 6.086573 -0.007120\n-15.025611 3.026449 0.059480\n-0.892002 -0.006898 5.075397\nLi Cr Si O\n20 2 4 20\ndirect\n0.510597 0.983726 0.755931 Li\n0.357836 0.866795 0.236180 Li\n0.778994 0.864958 0.236300 Li\n0.129147 0.736344 0.480845 Li\n0.345047 0.736940 0.025854 Li\n0.914492 0.736212 0.024295 Li\n0.674860 0.648783 0.419667 Li\n0.437611 0.610926 0.787311 Li\n0.952780 0.610323 0.787154 Li\n0.730967 0.539827 0.134358 Li\n0.268731 0.460230 0.864047 Li\n0.562899 0.389816 0.209939 Li\n0.046779 0.388998 0.212087 Li\n0.330092 0.350883 0.579632 Li\n0.081330 0.263238 0.970940 Li\n0.648838 0.262338 0.976373 Li\n0.864830 0.262278 0.520339 Li\n0.642806 0.132006 0.768455 Li\n0.221582 0.129666 0.770700 Li\n0.493525 0.017155 0.240253 Li\n0.040916 0.930092 0.879599 Cr\n0.960085 0.076939 0.142694 Cr\n0.599557 0.800000 0.692891 Si\n0.219269 0.561489 0.307938 Si\n0.780485 0.438280 0.690305 Si\n0.395770 0.200025 0.308132 Si\n0.552584 0.900054 0.498181 O\n0.089063 0.813879 0.133394 O\n0.594507 0.809546 0.008968 O\n0.407484 0.743123 0.634970 O\n0.845599 0.741186 0.636403 O\n0.967298 0.612348 0.168831 O\n0.420411 0.612444 0.169413 O\n0.214410 0.571956 0.619735 O\n0.726974 0.544704 0.735855 O\n0.272391 0.455012 0.263216 O\n0.785038 0.428266 0.378207 O\n0.032198 0.387217 0.829786 O\n0.580315 0.386751 0.828939 O\n0.145632 0.256259 0.362237 O\n0.583390 0.259138 0.365902 O\n0.401370 0.190950 0.991749 O\n0.902168 0.183771 0.868176 O\n0.447441 0.099908 0.501577 O\n0.252388 0.001544 0.994554 O\n0.763922 0.002894 0.998747 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.4165276676312013,
"density_atomic": 0.09915286134049676,
"volume": 463.9301314969952,
"volume_molar": 6.07359251017438,
"formula_full": "Li20 Cr2 Si4 O20",
"formula_reduced": "Li10Cr(SiO5)2",
"formula_anonymous": "AB2C10D10",
"energy": -291.28164601,
"energy_per_atom": -6.332209695869564,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -273.54364601,
"band_gap": 0.6955,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.223000Z",
"spacegroup": 1
},
{
"id": "mp-1175631",
"created_at": "2022-09-04T14:39:33.584143Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.138350 0.000000 0.000000\n-1.665310 5.648593 0.000000\n-1.736709 -0.541659 9.924324\nLi Mn Co O\n9 2 5 16\ndirect\n0.502265 0.123928 0.876810 Li\n0.500694 0.625916 0.874081 Li\n0.495935 0.373401 0.624547 Li\n0.499526 0.874208 0.624037 Li\n0.497949 0.625516 0.369911 Li\n0.497918 0.129217 0.370559 Li\n0.504652 0.881732 0.127605 Li\n0.501589 0.367372 0.131628 Li\n0.998942 0.248468 0.250462 Li\n0.995344 0.000472 0.001607 Mn\n0.001850 0.006598 0.497290 Mn\n0.007096 0.494143 0.012649 Co\n0.997911 0.251948 0.750839 Co\n0.000618 0.745612 0.749341 Co\n0.998999 0.495329 0.490895 Co\n0.998995 0.757403 0.250180 Co\n0.215320 0.812594 0.931560 O\n0.226578 0.289743 0.940692 O\n0.223110 0.063973 0.682276 O\n0.229653 0.557814 0.683041 O\n0.231025 0.295117 0.444730 O\n0.228460 0.821521 0.439643 O\n0.234731 0.569336 0.179326 O\n0.225605 0.042930 0.176622 O\n0.774972 0.433464 0.812849 O\n0.769973 0.940843 0.820338 O\n0.781509 0.709738 0.567399 O\n0.775722 0.184005 0.560012 O\n0.771846 0.935876 0.324832 O\n0.771080 0.458415 0.319185 O\n0.770976 0.179773 0.055693 O\n0.769158 0.703592 0.059364 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.167958383871661,
"density_atomic": 0.11109258630637511,
"volume": 288.04802430064285,
"volume_molar": 5.420830462432413,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.60713821,
"energy_per_atom": -6.5189730690625,
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"band_gap": 0.1412,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.779000Z",
"spacegroup": 1
},
{
"id": "mp-1176375",
"created_at": "2022-09-04T14:39:33.594231Z",
"structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n8.310674 0.000000 0.000000\n-1.868806 8.105602 0.000000\n-3.081449 -3.884426 8.938346\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.018362 0.478312 0.258116 Na\n0.268622 0.227770 0.740016 Na\n0.744536 0.757468 0.251897 Na\n0.496380 0.995313 0.247769 Na\n0.757674 0.756805 0.754241 Na\n0.992197 0.503298 0.745673 Na\n0.188966 0.943263 0.347388 Ni\n0.309266 0.563470 0.651587 Ni\n0.685208 0.440712 0.346447 Ni\n0.806671 0.062780 0.655257 Ni\n0.050226 0.802008 0.572625 P\n0.555231 0.307371 0.575626 P\n0.447689 0.701698 0.427795 P\n0.942435 0.193213 0.424337 P\n0.021014 0.766485 0.072713 C\n0.477148 0.729916 0.926382 C\n0.519402 0.269690 0.073283 C\n0.987152 0.230520 0.927312 C\n0.074538 0.321249 0.064457 O\n0.013618 0.075557 0.323858 O\n0.412618 0.156353 0.428786 O\n0.314934 0.573009 0.462571 O\n0.178172 0.934904 0.537242 O\n0.092940 0.336694 0.573850 O\n0.150171 0.714837 0.668433 O\n0.472313 0.412418 0.673779 O\n0.673612 0.238424 0.679012 O\n0.030323 0.273201 0.825854 O\n0.523347 0.774971 0.828534 O\n0.333035 0.587787 0.866089 O\n0.845792 0.088284 0.871700 O\n0.433790 0.182079 0.935408 O\n0.563403 0.814959 0.065395 O\n0.163390 0.907871 0.130814 O\n0.661317 0.414165 0.131948 O\n0.474486 0.224688 0.171870 O\n0.976614 0.721087 0.172223 O\n0.342620 0.782675 0.327933 O\n0.531651 0.598598 0.329232 O\n0.839062 0.278648 0.328221 O\n0.904994 0.656878 0.420711 O\n0.806796 0.066211 0.460398 O\n0.684251 0.442192 0.540859 O\n0.594755 0.844776 0.577414 O\n0.967076 0.906845 0.670859 O\n0.932048 0.680706 0.934089 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.737532211130861,
"density_atomic": 0.0763975000930342,
"volume": 602.1139427858609,
"volume_molar": 7.88264112394574,
"formula_full": "Na6 Ni4 P4 C4 O28",
"formula_reduced": "Na3Ni2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -319.74265506,
"energy_per_atom": -6.950927283913043,
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"energy_uncorrected": -290.34265506,
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"updated_at": "2021-11-28T01:34:27.348000Z",
"spacegroup": 1
},
{
"id": "mp-753452",
"created_at": "2022-09-04T14:39:33.647309Z",
"structure_string": "Li24 Mn4 O12 F12\n1.0\n-3.953483 2.231991 2.473282\n-7.879852 -4.706907 -4.668892\n3.715582 -6.885201 7.209961\nLi Mn O F\n24 4 12 12\ndirect\n0.628846 0.784137 0.656916 Li\n0.629245 0.284278 0.656870 Li\n0.543095 0.510366 0.132443 Li\n0.542919 0.010350 0.132257 Li\n0.691404 0.784975 0.955482 Li\n0.691632 0.284979 0.955510 Li\n0.696902 0.534389 0.466458 Li\n0.697062 0.034219 0.466389 Li\n0.925122 0.505721 0.711526 Li\n0.924813 0.005759 0.711407 Li\n0.911294 0.238854 0.219547 Li\n0.911249 0.738841 0.219516 Li\n0.098392 0.762859 0.790700 Li\n0.098735 0.262829 0.790682 Li\n0.084450 0.494713 0.297956 Li\n0.084243 0.994756 0.297830 Li\n0.236626 0.491127 0.540888 Li\n0.237082 0.991010 0.540867 Li\n0.285730 0.223199 0.042576 Li\n0.285613 0.723242 0.042592 Li\n0.441280 0.473917 0.861142 Li\n0.440932 0.973871 0.861133 Li\n0.373152 0.204612 0.333759 Li\n0.373059 0.704704 0.333921 Li\n0.031544 0.743025 0.499717 Mn\n0.018098 0.991371 0.998047 Mn\n0.031903 0.242871 0.499818 Mn\n0.018323 0.491357 0.998076 Mn\n0.799353 0.891755 0.841437 O\n0.800097 0.392003 0.841376 O\n0.940365 0.644364 0.611076 O\n0.940376 0.144329 0.611050 O\n0.325390 0.614659 0.458304 O\n0.325421 0.114621 0.458247 O\n0.336462 0.872419 0.972455 O\n0.336608 0.372406 0.972450 O\n0.078480 0.351765 0.389467 O\n0.078145 0.851798 0.389454 O\n0.197714 0.110180 0.152445 O\n0.197851 0.610211 0.152523 O\n0.740706 0.624939 0.309749 F\n0.740145 0.125160 0.308973 F\n0.879192 0.381247 0.124355 F\n0.879194 0.881232 0.124355 F\n0.706967 0.387567 0.550454 F\n0.705702 0.887622 0.550464 F\n0.659003 0.125357 0.024799 F\n0.659305 0.625372 0.024939 F\n0.108000 0.618069 0.876287 F\n0.107688 0.118146 0.876328 F\n0.262749 0.384240 0.682425 F\n0.262341 0.884209 0.682564 F\n",
"nsites": 52,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.5416558010345605,
"density_atomic": 0.09871179166763437,
"volume": 526.7861024657074,
"volume_molar": 6.100730883577447,
"formula_full": "Li24 Mn4 O12 F12",
"formula_reduced": "Li6Mn(OF)3",
"formula_anonymous": "AB3C3D6",
"energy": -295.46975039,
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"energy_per_atom": -7.713195847763158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1058.57376886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 111.9999988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.461000Z",
"spacegroup": 1
}
]
}