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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=120",
"results": [
{
"id": "mp-754949",
"created_at": "2022-09-04T14:44:13.993637Z",
"structure_string": "Li8 Mn4 Si8 O24\n1.0\n-0.001434 -0.000864 7.305300\n-9.843450 3.692293 0.001553\n0.000970 -7.382249 0.000529\nLi Mn Si O\n8 4 8 24\ndirect\n0.721327 0.835122 0.191072 Li\n0.221324 0.835114 0.691091 Li\n0.471312 0.663970 0.355604 Li\n0.971292 0.663977 0.855631 Li\n0.471281 0.335033 0.644804 Li\n0.971266 0.335003 0.144734 Li\n0.721079 0.163930 0.809171 Li\n0.221080 0.163940 0.309151 Li\n0.217093 0.499570 0.500385 Mn\n0.466977 0.999421 0.500076 Mn\n0.717122 0.499571 0.000404 Mn\n0.966963 0.999432 0.000155 Mn\n0.286980 0.832461 0.101360 Si\n0.786997 0.832497 0.601376 Si\n0.537302 0.666866 0.768615 Si\n0.037237 0.666870 0.268592 Si\n0.536861 0.332085 0.231737 Si\n0.036860 0.332072 0.731747 Si\n0.286796 0.166675 0.898975 Si\n0.786793 0.166693 0.398986 Si\n0.315878 0.982757 0.259804 O\n0.815849 0.982788 0.759895 O\n0.567053 0.516514 0.776084 O\n0.066765 0.516531 0.276050 O\n0.565969 0.482397 0.224088 O\n0.065958 0.482405 0.724113 O\n0.316142 0.016422 0.740584 O\n0.816112 0.016444 0.240626 O\n0.131724 0.825778 0.939225 O\n0.631742 0.825818 0.439264 O\n0.881811 0.673484 0.113263 O\n0.381835 0.673471 0.613275 O\n0.881129 0.325305 0.886787 O\n0.381135 0.325320 0.386793 O\n0.131191 0.173152 0.060730 O\n0.631149 0.173163 0.560707 O\n0.237619 0.725389 0.219133 O\n0.737648 0.725447 0.719173 O\n0.487699 0.774154 0.993466 O\n0.987682 0.774154 0.493435 O\n0.487211 0.225140 0.006886 O\n0.987214 0.225138 0.506882 O\n0.237610 0.273763 0.781196 O\n0.737603 0.273765 0.281191 O\n",
"nsites": 44,
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"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.765183965208781,
"density_atomic": 0.0828895948305597,
"volume": 530.8265782930102,
"volume_molar": 7.265255394612882,
"formula_full": "Li8 Mn4 Si8 O24",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -338.89369226,
"energy_per_atom": -7.702129369545455,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -315.73369226,
"band_gap": 3.4868999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.264000Z",
"spacegroup": 43
},
{
"id": "mp-1347348",
"created_at": "2022-09-04T14:44:17.238663Z",
"structure_string": "Ca2 Bi2 As2 O12\n1.0\n5.178352 0.000000 0.000000\n0.000000 7.143984 0.000000\n0.000000 1.758204 7.342708\nCa Bi As O\n2 2 2 12\ndirect\n0.767591 0.245835 0.926104 Ca\n0.267591 0.754165 0.073896 Ca\n0.220192 0.589083 0.590687 Bi\n0.720192 0.410917 0.409313 Bi\n0.805873 0.780398 0.784397 As\n0.305873 0.219602 0.215603 As\n0.528396 0.402074 0.678479 O\n0.983268 0.569545 0.877280 O\n0.457773 0.164675 0.429199 O\n0.492330 0.676073 0.371178 O\n0.973999 0.233327 0.225502 O\n0.028396 0.597926 0.321521 O\n0.473999 0.766673 0.774498 O\n0.992330 0.323927 0.628822 O\n0.382552 0.072284 0.076028 O\n0.483268 0.430455 0.122720 O\n0.882552 0.927716 0.923972 O\n0.957773 0.835325 0.570801 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Ca-O",
"density": 5.134707160278039,
"density_atomic": 0.06626500051463409,
"volume": 271.6366084691246,
"volume_molar": 9.087966065389313,
"formula_full": "Ca2 Bi2 As2 O12",
"formula_reduced": "CaBiAsO6",
"formula_anonymous": "ABCD6",
"energy": -114.79630577,
"energy_per_atom": -6.377572542777778,
"energy_above_hull": null,
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"energy_uncorrected": -106.55230577,
"band_gap": 0.4227000000000001,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.809000Z",
"spacegroup": 4
},
{
"id": "mp-1211141",
"created_at": "2022-09-04T14:44:16.875292Z",
"structure_string": "Na20 Al4 H32 O32\n1.0\n9.563422 0.000000 0.000000\n0.000000 9.563422 0.000000\n0.000000 0.000000 9.718879\nNa Al H O\n20 4 32 32\ndirect\n0.624880 0.624880 0.000000 Na\n0.375120 0.375120 0.500000 Na\n0.875120 0.124880 0.250000 Na\n0.124880 0.875120 0.750000 Na\n0.113330 0.371528 0.277436 Na\n0.886670 0.628472 0.777436 Na\n0.128472 0.613330 0.527436 Na\n0.386670 0.871528 0.972564 Na\n0.871528 0.386670 0.027436 Na\n0.613330 0.128472 0.472564 Na\n0.371528 0.113330 0.722564 Na\n0.628472 0.886670 0.222564 Na\n0.378041 0.131040 0.233309 Na\n0.621959 0.868960 0.733309 Na\n0.368960 0.878041 0.483309 Na\n0.121959 0.631040 0.016691 Na\n0.631040 0.121959 0.983309 Na\n0.878041 0.368960 0.516691 Na\n0.131040 0.378041 0.766691 Na\n0.868960 0.621959 0.266691 Na\n0.129435 0.129435 0.000000 Al\n0.870565 0.870565 0.500000 Al\n0.370565 0.629435 0.250000 Al\n0.629435 0.370565 0.750000 Al\n0.210454 0.363268 0.049502 H\n0.789546 0.636732 0.549502 H\n0.136732 0.710454 0.299502 H\n0.289546 0.863268 0.200498 H\n0.863268 0.289546 0.799502 H\n0.710454 0.136732 0.700498 H\n0.363268 0.210454 0.950498 H\n0.636732 0.789546 0.450498 H\n0.446824 0.386705 0.206857 H\n0.553176 0.613295 0.706857 H\n0.113295 0.946824 0.456857 H\n0.053176 0.886705 0.043143 H\n0.886705 0.053176 0.956857 H\n0.946824 0.113295 0.543143 H\n0.386705 0.446824 0.793143 H\n0.613295 0.553176 0.293143 H\n0.267014 0.127835 0.461898 H\n0.732986 0.872165 0.961898 H\n0.372165 0.767014 0.711898 H\n0.232986 0.627835 0.788102 H\n0.627835 0.232986 0.211898 H\n0.767014 0.372165 0.288102 H\n0.127835 0.267014 0.538102 H\n0.872165 0.732986 0.038102 H\n0.139158 0.037044 0.230634 H\n0.860842 0.962956 0.730634 H\n0.462956 0.639158 0.480634 H\n0.360842 0.537044 0.019366 H\n0.537044 0.360842 0.980634 H\n0.639158 0.462956 0.519366 H\n0.037044 0.139158 0.769366 H\n0.962956 0.860842 0.269366 H\n0.129380 0.133910 0.201311 O\n0.870620 0.866090 0.701311 O\n0.366090 0.629380 0.451311 O\n0.370620 0.633910 0.048689 O\n0.633910 0.370620 0.951311 O\n0.629380 0.366090 0.548689 O\n0.133910 0.129380 0.798689 O\n0.866090 0.870620 0.298689 O\n0.366894 0.119762 0.476393 O\n0.633106 0.880238 0.976393 O\n0.380238 0.866894 0.726393 O\n0.133106 0.619762 0.773607 O\n0.619762 0.133106 0.226393 O\n0.866894 0.380238 0.273607 O\n0.119762 0.366894 0.523607 O\n0.880238 0.633106 0.023607 O\n0.361108 0.425572 0.244743 O\n0.638892 0.574428 0.744743 O\n0.074428 0.861108 0.494743 O\n0.138892 0.925572 0.005257 O\n0.925572 0.138892 0.994743 O\n0.861108 0.074428 0.505257 O\n0.425572 0.361108 0.755257 O\n0.574428 0.638892 0.255257 O\n0.124149 0.333485 0.005353 O\n0.875851 0.666515 0.505353 O\n0.166515 0.624149 0.255353 O\n0.375851 0.833485 0.244647 O\n0.833485 0.375851 0.755353 O\n0.624149 0.166515 0.744647 O\n0.333485 0.124149 0.994647 O\n0.666515 0.875851 0.494647 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Na",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Na-O",
"density": 2.0772752598997934,
"density_atomic": 0.09900106278176425,
"volume": 888.8793466185838,
"volume_molar": 6.082905163629479,
"formula_full": "Na20 Al4 H32 O32",
"formula_reduced": "Na5Al(HO)8",
"formula_anonymous": "AB5C8D8",
"energy": -459.61414229,
"energy_per_atom": -5.222887980568182,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -437.63014229,
"band_gap": 3.1712,
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"updated_at": "2021-11-28T01:36:27.117000Z",
"spacegroup": 92
},
{
"id": "mp-755468",
"created_at": "2022-09-04T14:44:01.272791Z",
"structure_string": "Li4 Mn4 P8 H8 O32\n1.0\n0.000188 -0.000065 7.005237\n10.562051 0.000273 0.000285\n0.000206 8.045895 -0.000068\nLi Mn P H O\n4 4 8 8 32\ndirect\n0.000060 0.333715 0.499995 Li\n0.000015 0.833679 0.499975 Li\n0.499985 0.416200 0.000031 Li\n0.499952 0.916167 0.000067 Li\n0.999862 0.992094 0.999969 Mn\n0.500044 0.257859 0.500069 Mn\n0.999880 0.492078 0.999995 Mn\n0.500069 0.757911 0.499906 Mn\n0.285354 0.009488 0.647882 P\n0.285360 0.509506 0.647853 P\n0.714671 0.009502 0.352135 P\n0.714704 0.509490 0.352168 P\n0.214636 0.240524 0.147870 P\n0.214633 0.740522 0.147833 P\n0.785321 0.240554 0.852097 P\n0.785292 0.740528 0.852118 P\n0.491780 0.101158 0.210265 H\n0.491847 0.601135 0.210249 H\n0.508247 0.101077 0.789750 H\n0.508230 0.601161 0.789692 H\n0.991843 0.148820 0.289755 H\n0.991897 0.648757 0.289744 H\n0.008245 0.148841 0.710331 H\n0.008203 0.648818 0.710326 H\n0.550858 0.011309 0.215483 O\n0.550927 0.511302 0.215492 O\n0.449173 0.011262 0.784554 O\n0.449135 0.511312 0.784523 O\n0.050883 0.238669 0.284573 O\n0.050924 0.738625 0.284556 O\n0.949170 0.238692 0.715495 O\n0.949099 0.738667 0.715486 O\n0.084864 0.012683 0.726068 O\n0.084831 0.512688 0.726028 O\n0.915154 0.012648 0.273954 O\n0.915227 0.512653 0.274001 O\n0.415159 0.237325 0.225980 O\n0.415196 0.737360 0.225940 O\n0.584848 0.237391 0.773895 O\n0.584801 0.737290 0.773900 O\n0.691597 0.128475 0.460917 O\n0.691600 0.628489 0.460907 O\n0.308480 0.128478 0.539135 O\n0.308472 0.628477 0.539049 O\n0.191444 0.121594 0.039027 O\n0.191543 0.621579 0.039006 O\n0.808353 0.121607 0.960959 O\n0.808402 0.621591 0.961000 O\n0.800258 0.365330 0.952719 O\n0.800154 0.865307 0.952700 O\n0.199659 0.365312 0.047266 O\n0.199586 0.865299 0.047235 O\n0.699750 0.384764 0.452866 O\n0.699726 0.884738 0.452804 O\n0.300306 0.384758 0.547198 O\n0.300291 0.884740 0.547207 O\n",
"nsites": 56,
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"elements": [
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"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.8321723104545784,
"density_atomic": 0.09406814369934693,
"volume": 595.3131187427565,
"volume_molar": 6.401891780970489,
"formula_full": "Li4 Mn4 P8 H8 O32",
"formula_reduced": "LiMnP2(HO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -401.69210507,
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"updated_at": "2021-11-28T01:36:37.384000Z",
"spacegroup": 18
},
{
"id": "mp-766458",
"created_at": "2022-09-04T14:44:16.495084Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n11.324906 0.000000 0.000000\n0.000000 5.275856 0.000000\n0.000000 0.142850 5.959250\nLi Fe Si O\n4 4 4 16\ndirect\n0.670592 0.055660 0.243859 Li\n0.170592 0.944340 0.756141 Li\n0.328992 0.568837 0.221059 Li\n0.828992 0.431163 0.778941 Li\n0.423423 0.079118 0.995404 Fe\n0.923423 0.920882 0.004596 Fe\n0.076973 0.568724 0.487930 Fe\n0.576973 0.431276 0.512070 Fe\n0.916979 0.070520 0.500477 Si\n0.416979 0.929480 0.499523 Si\n0.583385 0.573236 0.008399 Si\n0.083385 0.426764 0.991601 Si\n0.065008 0.117183 0.973972 O\n0.545135 0.077224 0.499113 O\n0.842340 0.009744 0.734571 O\n0.341287 0.001878 0.725416 O\n0.841287 0.998122 0.274584 O\n0.342340 0.990256 0.265429 O\n0.045135 0.922776 0.500887 O\n0.565008 0.882817 0.026028 O\n0.436990 0.619345 0.490994 O\n0.156096 0.539876 0.770797 O\n0.951684 0.564772 0.994230 O\n0.659162 0.502933 0.781705 O\n0.159162 0.497067 0.218295 O\n0.451684 0.435228 0.005770 O\n0.656096 0.460124 0.229203 O\n0.936990 0.380655 0.509006 O\n",
"nsites": 28,
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"elements": [
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"Fe",
"Si",
"O"
],
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"density_atomic": 0.07863916381693672,
"volume": 356.0566852564824,
"volume_molar": 7.65794098983412,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -211.778557,
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"updated_at": "2021-11-28T01:36:35.618000Z",
"spacegroup": 4
},
{
"id": "mp-1518047",
"created_at": "2022-09-04T14:44:16.542850Z",
"structure_string": "Ba1 Ca1 Sm1 Sb1 O6\n1.0\n0.000000 -4.265113 -4.265113\n4.265113 0.000000 -4.265113\n4.265113 -4.265113 0.000000\nBa Ca Sm Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sb\n0.765610 0.234390 0.234390 O\n0.234390 0.765610 0.765610 O\n0.765610 0.234390 0.765610 O\n0.234390 0.765610 0.234390 O\n0.765610 0.765610 0.234390 O\n0.234390 0.234390 0.765610 O\n",
"nsites": 10,
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"elements": [
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"Sm",
"Sb",
"O"
],
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"density": 5.837666333930151,
"density_atomic": 0.0644433900943014,
"volume": 155.17495254931163,
"volume_molar": 9.344854066782755,
"formula_full": "Ba1 Ca1 Sm1 Sb1 O6",
"formula_reduced": "BaCaSmSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.85557778,
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"energy_uncorrected": -67.73357778,
"band_gap": 3.2804999999999995,
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"updated_at": "2021-11-28T01:36:33.100000Z",
"spacegroup": 216
},
{
"id": "mp-767071",
"created_at": "2022-09-04T14:44:18.348247Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-1.040602 2.088548 4.672852\n-7.964401 4.148968 -5.095099\n-7.448702 -6.474185 -0.024902\nLi Co C O\n8 4 8 24\ndirect\n0.617410 0.653953 0.187626 Li\n0.117182 0.153218 0.687884 Li\n0.335491 0.812994 0.846775 Li\n0.835488 0.313286 0.345900 Li\n0.618838 0.495369 0.867552 Li\n0.120225 0.994220 0.367900 Li\n0.570938 0.227508 0.898464 Li\n0.070795 0.726570 0.398916 Li\n0.638498 0.002388 0.497425 Co\n0.985205 0.985165 0.016705 Co\n0.137713 0.502548 0.997676 Co\n0.485955 0.484707 0.516940 Co\n0.054234 0.690196 0.096990 C\n0.554267 0.190018 0.596567 C\n0.302640 0.409012 0.306289 C\n0.803794 0.908775 0.806306 C\n0.246390 0.599804 0.689228 C\n0.747223 0.099801 0.188990 C\n0.082848 0.297567 0.904561 C\n0.584127 0.797146 0.404863 C\n0.001834 0.775219 0.160898 O\n0.501523 0.275137 0.660397 O\n0.161652 0.421909 0.401042 O\n0.662238 0.920533 0.901332 O\n0.287945 0.679851 0.071569 O\n0.788102 0.179906 0.571201 O\n0.554492 0.433697 0.330306 O\n0.055530 0.934378 0.830347 O\n0.867529 0.610363 0.057007 O\n0.367813 0.109933 0.556934 O\n0.197574 0.373875 0.198107 O\n0.699750 0.873948 0.697794 O\n0.238645 0.634479 0.807153 O\n0.737373 0.134548 0.306564 O\n0.466546 0.556174 0.677406 O\n0.967933 0.056109 0.177880 O\n0.314797 0.349808 0.925428 O\n0.815821 0.849881 0.425533 O\n0.890175 0.361014 0.918906 O\n0.391033 0.860123 0.419335 O\n0.561150 0.106570 0.094900 O\n0.059152 0.606716 0.595808 O\n0.035290 0.184849 0.870724 O\n0.537753 0.684347 0.371085 O\n",
"nsites": 44,
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"elements": [
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"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 2.5686320166833307,
"density_atomic": 0.0882397222918249,
"volume": 498.6416418501857,
"volume_molar": 6.8247503545893755,
"formula_full": "Li8 Co4 C8 O24",
"formula_reduced": "Li2Co(CO3)2",
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