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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10249",
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"results": [
{
"id": "mp-1197395",
"created_at": "2022-09-04T14:41:59.130642Z",
"structure_string": "K4 Mn6 H12 S6 O32\n1.0\n3.949743 -9.165649 0.000000\n3.949743 9.165649 0.000000\n0.000000 0.000000 10.133337\nK Mn H S O\n4 6 12 6 32\ndirect\n0.238311 0.851408 0.281915 K\n0.851408 0.238311 0.281915 K\n0.761689 0.148592 0.781915 K\n0.148592 0.761689 0.781915 K\n0.558434 0.381549 0.735556 Mn\n0.381549 0.558434 0.735556 Mn\n0.441566 0.618451 0.235556 Mn\n0.618451 0.441566 0.235556 Mn\n0.807637 0.807637 0.517289 Mn\n0.192363 0.192363 0.017289 Mn\n0.481610 0.481610 0.521425 H\n0.518390 0.518390 0.021425 H\n0.199643 0.199643 0.769192 H\n0.800357 0.800357 0.269192 H\n0.915737 0.725515 0.079441 H\n0.725515 0.915737 0.079441 H\n0.084263 0.274485 0.579441 H\n0.274485 0.084263 0.579441 H\n0.919153 0.570387 0.076070 H\n0.570387 0.919153 0.076070 H\n0.080847 0.429613 0.576070 H\n0.429613 0.080847 0.576070 H\n0.876511 0.521712 0.505544 S\n0.521712 0.876511 0.505544 S\n0.123489 0.478288 0.005544 S\n0.478288 0.123489 0.005544 S\n0.817213 0.817213 0.844970 S\n0.182787 0.182787 0.344970 S\n0.552218 0.552218 0.600787 O\n0.447782 0.447782 0.100787 O\n0.306528 0.306528 0.818449 O\n0.693472 0.693472 0.318449 O\n0.364294 0.100459 0.636140 O\n0.100459 0.364294 0.636140 O\n0.635706 0.899541 0.136140 O\n0.899541 0.635706 0.136140 O\n0.737474 0.416288 0.398310 O\n0.416288 0.737474 0.398310 O\n0.262526 0.583712 0.898310 O\n0.583712 0.262526 0.898310 O\n0.789745 0.431842 0.636476 O\n0.431842 0.789745 0.636476 O\n0.210255 0.568158 0.136476 O\n0.568158 0.210255 0.136476 O\n0.025893 0.525888 0.479478 O\n0.525888 0.025893 0.479478 O\n0.974107 0.474112 0.979478 O\n0.474112 0.974107 0.979478 O\n0.958494 0.715728 0.509254 O\n0.715728 0.958494 0.509254 O\n0.041506 0.284272 0.009254 O\n0.284272 0.041506 0.009254 O\n0.642265 0.775622 0.845019 O\n0.775622 0.642265 0.845019 O\n0.357735 0.224378 0.345019 O\n0.224378 0.357735 0.345019 O\n0.930597 0.930597 0.727042 O\n0.069403 0.069403 0.227042 O\n0.919164 0.919164 0.969332 O\n0.080836 0.080836 0.469332 O\n",
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"Mn",
"H",
"S",
"O"
],
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"density": 2.721542648581932,
"density_atomic": 0.0817780421249308,
"volume": 733.6932805060203,
"volume_molar": 7.364007016455696,
"formula_full": "K4 Mn6 H12 S6 O32",
"formula_reduced": "K2Mn3H6S3O16",
"formula_anonymous": "A2B3C3D6E16",
"energy": -396.16066129,
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"energy_uncorrected": -364.16866129,
"band_gap": 3.3084,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0105429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.633000Z",
"spacegroup": 36
},
{
"id": "mp-505401",
"created_at": "2022-09-04T14:42:39.622241Z",
"structure_string": "K4 Mn4 H8 O4 F16\n1.0\n3.182622 6.923711 0.000000\n-3.182622 6.923711 0.000000\n0.000000 2.572810 10.413837\nK Mn H O F\n4 4 8 4 16\ndirect\n0.181198 0.660880 0.443832 K\n0.339120 0.818802 0.056168 K\n0.818802 0.339120 0.556168 K\n0.660880 0.181198 0.943832 K\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.756805 0.243195 0.250000 Mn\n0.243195 0.756805 0.750000 Mn\n0.266531 0.092140 0.304914 H\n0.907860 0.733469 0.195086 H\n0.733469 0.907860 0.695086 H\n0.092140 0.266531 0.804914 H\n0.400797 0.192721 0.255538 H\n0.807279 0.599203 0.244462 H\n0.599203 0.807279 0.744462 H\n0.192721 0.400797 0.755538 H\n0.412742 0.062428 0.308690 O\n0.937572 0.587258 0.191310 O\n0.587258 0.937572 0.691310 O\n0.062428 0.412742 0.808690 O\n0.644914 0.154294 0.437699 F\n0.845706 0.355086 0.062301 F\n0.355086 0.845706 0.562301 F\n0.154294 0.644914 0.937699 F\n0.783543 0.717948 0.462287 F\n0.282052 0.216457 0.037713 F\n0.216457 0.282052 0.537713 F\n0.717948 0.783543 0.962287 F\n0.901649 0.960453 0.183566 F\n0.039547 0.098351 0.316434 F\n0.098351 0.039547 0.816434 F\n0.960453 0.901649 0.683566 F\n0.471287 0.379722 0.191375 F\n0.620278 0.528713 0.308625 F\n0.528713 0.620278 0.808625 F\n0.379722 0.471287 0.691375 F\n",
"nsites": 36,
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"elements": [
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"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-Mn-O",
"density": 2.721489509136497,
"density_atomic": 0.07844002745541659,
"volume": 458.9493549127265,
"volume_molar": 7.677382269432323,
"formula_full": "K4 Mn4 H8 O4 F16",
"formula_reduced": "KMnH2OF4",
"formula_anonymous": "ABCD2E4",
"energy": -204.40352539,
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"is_magnetic": true,
"total_magnetization": 15.9993841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.228000Z",
"spacegroup": 15
},
{
"id": "mp-1026398",
"created_at": "2022-09-04T14:44:58.392829Z",
"structure_string": "Mg14 Ti1 Bi1\n1.0\n6.400860 0.047491 0.000000\n-3.159302 5.472071 0.000000\n0.000000 0.000000 10.357683\nMg Ti Bi\n14 1 1\ndirect\n0.165901 0.332950 0.625000 Mg\n0.166426 0.833213 0.625000 Mg\n0.667620 0.332092 0.125000 Mg\n0.666142 0.332738 0.625000 Mg\n0.667620 0.835526 0.125000 Mg\n0.666142 0.833403 0.625000 Mg\n0.334108 0.172865 0.376390 Mg\n0.334108 0.172865 0.873610 Mg\n0.334108 0.661244 0.376390 Mg\n0.334108 0.661244 0.873610 Mg\n0.837835 0.168918 0.373301 Mg\n0.837835 0.168918 0.876699 Mg\n0.828543 0.664272 0.379435 Mg\n0.828543 0.664272 0.870565 Mg\n0.168045 0.334022 0.125000 Ti\n0.162914 0.831457 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Bi"
],
"chemical_system": "Bi-Mg-Ti",
"density": 2.7214463133229145,
"density_atomic": 0.04391480208153994,
"volume": 364.3418446994612,
"volume_molar": 13.713236709613847,
"formula_full": "Mg14 Ti1 Bi1",
"formula_reduced": "Mg14TiBi",
"formula_anonymous": "ABC14",
"energy": -33.84671908,
"energy_per_atom": -2.1154199425,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:51.192000Z",
"spacegroup": 38
},
{
"id": "mp-1077545",
"created_at": "2022-09-04T14:39:08.836415Z",
"structure_string": "Ca2 C4\n1.0\n1.873988 -4.369345 0.000000\n1.873988 4.369345 0.000000\n0.000000 0.000000 4.776628\nCa C\n2 4\ndirect\n0.853782 0.146218 0.250000 Ca\n0.146218 0.853782 0.750000 Ca\n0.561313 0.438687 0.396363 C\n0.438687 0.561313 0.603637 C\n0.561313 0.438687 0.103637 C\n0.438687 0.561313 0.896363 C\n",
"nsites": 6,
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"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.721438337713945,
"density_atomic": 0.07670376670469975,
"volume": 78.22301638848162,
"volume_molar": 7.851166922720387,
"formula_full": "Ca2 C4",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy": -40.80817279,
"energy_per_atom": -6.801362131666667,
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"total_magnetization": 9.26e-05,
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"updated_at": "2021-11-28T01:34:40.141000Z",
"spacegroup": 63
},
{
"id": "mp-1211704",
"created_at": "2022-09-04T14:47:02.874723Z",
"structure_string": "K3 V1 O8\n1.0\n-3.405166 3.405166 3.897335\n3.405166 -3.405166 3.897335\n3.405166 3.405166 -3.897335\nK V O\n3 1 8\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 V\n0.220431 0.220431 0.409780 O\n0.810651 0.810651 0.590220 O\n0.779569 0.189349 0.000000 O\n0.189349 0.779569 0.000000 O\n0.318356 0.318356 0.269944 O\n0.048412 0.048412 0.730056 O\n0.681644 0.951588 0.000000 O\n0.951588 0.681644 0.000000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"V",
"O"
],
"chemical_system": "K-O-V",
"density": 2.7212984603866044,
"density_atomic": 0.06638606705327631,
"volume": 180.76082124837626,
"volume_molar": 9.071392578757672,
"formula_full": "K3 V1 O8",
"formula_reduced": "K3VO8",
"formula_anonymous": "AB3C8",
"energy": -67.48887347,
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"spacegroup": 121
},
{
"id": "mp-697018",
"created_at": "2022-09-04T14:42:48.317646Z",
"structure_string": "Sr2 Zn2 P4 H4 O16\n1.0\n7.302999 0.000000 0.000000\n-1.447043 7.762912 0.000000\n-2.369758 -1.495176 7.426514\nSr Zn P H O\n2 2 4 4 16\ndirect\n0.597272 0.020054 0.278428 Sr\n0.402728 0.979946 0.721572 Sr\n0.591851 0.523622 0.280523 Zn\n0.408149 0.476378 0.719477 Zn\n0.258480 0.218086 0.340445 P\n0.741520 0.781914 0.659555 P\n0.272104 0.675818 0.020860 P\n0.727896 0.324182 0.979140 P\n0.088966 0.174554 0.187390 H\n0.911034 0.825446 0.812610 H\n0.087449 0.648151 0.045304 H\n0.912551 0.351849 0.954696 H\n0.426778 0.689407 0.209883 O\n0.573222 0.310593 0.790117 O\n0.263501 0.517196 0.882611 O\n0.736499 0.482804 0.117389 O\n0.224975 0.359686 0.475054 O\n0.775025 0.640314 0.524946 O\n0.437597 0.289642 0.280500 O\n0.562403 0.710358 0.719500 O\n0.293451 0.048058 0.408578 O\n0.706549 0.951942 0.591422 O\n0.683782 0.143281 0.032039 O\n0.316218 0.856719 0.967961 O\n0.887016 0.857717 0.212645 O\n0.112984 0.142283 0.787355 O\n0.908661 0.281721 0.530159 O\n0.091339 0.718279 0.469841 O\n",
"nsites": 28,
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"elements": [
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"Zn",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Sr-Zn",
"density": 2.721270258807626,
"density_atomic": 0.06650390131202,
"volume": 421.02793140857807,
"volume_molar": 9.055319524407437,
"formula_full": "Sr2 Zn2 P4 H4 O16",
"formula_reduced": "SrZnP2(HO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -166.77501228,
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"spacegroup": 2
},
{
"id": "mp-780660",
"created_at": "2022-09-04T14:42:20.680833Z",
"structure_string": "Li24 V8 O8 F32\n1.0\n7.680664 0.000000 0.000000\n-0.114187 10.220041 0.000000\n-3.529707 -0.137306 10.184080\nLi V O F\n24 8 8 32\ndirect\n0.110028 0.779269 0.866187 Li\n0.186690 0.391861 0.911717 Li\n0.091769 0.063630 0.662008 Li\n0.098007 0.441707 0.649738 Li\n0.407254 0.946430 0.842173 Li\n0.413738 0.572487 0.840347 Li\n0.381264 0.753801 0.618703 Li\n0.838417 0.439934 0.909271 Li\n0.848964 0.060268 0.903660 Li\n0.387761 0.224839 0.628543 Li\n0.346569 0.055964 0.404085 Li\n0.357382 0.443604 0.416189 Li\n0.673104 0.954129 0.601234 Li\n0.665194 0.562723 0.594367 Li\n0.614638 0.750958 0.374535 Li\n0.155556 0.946926 0.096078 Li\n0.155671 0.573446 0.102755 Li\n0.635750 0.267952 0.383669 Li\n0.901043 0.942823 0.342160 Li\n0.893915 0.553809 0.338068 Li\n0.592684 0.052850 0.158421 Li\n0.588588 0.435605 0.155207 Li\n0.866279 0.751529 0.122207 Li\n0.875257 0.230722 0.128646 Li\n0.505758 0.254025 0.903349 V\n0.996798 0.750495 0.596709 V\n0.743299 0.748291 0.845135 V\n0.763772 0.252578 0.658645 V\n0.242942 0.751793 0.346818 V\n0.251388 0.252827 0.152405 V\n0.008739 0.248763 0.404546 V\n0.488926 0.741660 0.093626 V\n0.613892 0.741564 0.967794 O\n0.639817 0.256625 0.783640 O\n0.127037 0.754305 0.476580 O\n0.127329 0.250206 0.277400 O\n0.865618 0.749387 0.718103 O\n0.892342 0.250208 0.534865 O\n0.357839 0.743977 0.215773 O\n0.378800 0.265357 0.027844 O\n0.176836 0.884341 0.716371 F\n0.184569 0.623608 0.711240 F\n0.672302 0.105912 0.007742 F\n0.695138 0.386986 0.018748 F\n0.327964 0.122139 0.780506 F\n0.326487 0.392307 0.794107 F\n0.934447 0.880491 0.959116 F\n0.934110 0.622727 0.959763 F\n0.181776 0.104743 0.506957 F\n0.195313 0.387960 0.512036 F\n0.561366 0.886741 0.737702 F\n0.566044 0.607968 0.734030 F\n0.441061 0.881846 0.457234 F\n0.439086 0.625062 0.459269 F\n0.052779 0.613956 0.241100 F\n0.063570 0.891219 0.240613 F\n0.944908 0.401030 0.765570 F\n0.890094 0.078603 0.735548 F\n0.586616 0.386647 0.542111 F\n0.557412 0.129929 0.538967 F\n0.422566 0.104738 0.250928 F\n0.436325 0.389345 0.268129 F\n0.814014 0.885711 0.485081 F\n0.823452 0.605762 0.488876 F\n0.056127 0.121423 0.045142 F\n0.074648 0.393448 0.045917 F\n0.679273 0.876203 0.205552 F\n0.675295 0.615977 0.210407 F\n0.320459 0.586092 0.992286 F\n0.314864 0.886927 0.988518 F\n0.814912 0.118259 0.288866 F\n0.810502 0.375593 0.296887 F\n",
"nsites": 72,
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"elements": [
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"F"
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"chemical_system": "F-Li-O-V",
"density": 2.721241659082303,
"density_atomic": 0.09006567109249305,
"volume": 799.4166825899682,
"volume_molar": 6.686388595068098,
"formula_full": "Li24 V8 O8 F32",
"formula_reduced": "Li3VOF4",
"formula_anonymous": "ABC3D4",
"energy": -432.82841017,
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"updated_at": "2021-11-28T01:35:47.775000Z",
"spacegroup": 1
},
{
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