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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12181",
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"results": [
{
"id": "mp-1245433",
"created_at": "2022-09-04T14:48:16.259551Z",
"structure_string": "Ga16 Fe16 N32\n1.0\n5.236909 0.000000 0.000000\n0.000000 10.804073 0.000000\n0.000000 0.000000 12.998960\nGa Fe N\n16 16 32\ndirect\n0.613074 0.047523 0.185207 Ga\n0.113074 0.452477 0.814793 Ga\n0.386926 0.547523 0.314793 Ga\n0.886926 0.952477 0.685207 Ga\n0.386926 0.952477 0.814793 Ga\n0.886926 0.547523 0.185207 Ga\n0.613074 0.452477 0.685207 Ga\n0.113074 0.047523 0.314793 Ga\n0.800544 0.295656 0.063835 Ga\n0.300544 0.204344 0.936165 Ga\n0.199456 0.795656 0.436165 Ga\n0.699456 0.704344 0.563835 Ga\n0.199456 0.704344 0.936165 Ga\n0.699456 0.795656 0.063835 Ga\n0.800544 0.204344 0.563835 Ga\n0.300544 0.295656 0.436165 Ga\n0.648997 0.954127 0.441301 Fe\n0.148997 0.545873 0.558699 Fe\n0.351003 0.454127 0.058699 Fe\n0.851003 0.045873 0.941301 Fe\n0.351003 0.045873 0.558699 Fe\n0.851003 0.454127 0.441301 Fe\n0.648997 0.545873 0.941301 Fe\n0.148997 0.954127 0.058699 Fe\n0.783570 0.300088 0.307418 Fe\n0.283570 0.199912 0.692582 Fe\n0.216430 0.800088 0.192582 Fe\n0.716430 0.699912 0.807418 Fe\n0.216430 0.699912 0.692582 Fe\n0.716430 0.800088 0.307418 Fe\n0.783570 0.199912 0.807418 Fe\n0.283570 0.300088 0.192582 Fe\n0.728180 0.476398 0.308084 N\n0.228180 0.023602 0.691916 N\n0.271820 0.976398 0.191916 N\n0.771820 0.523602 0.808084 N\n0.271820 0.523602 0.691916 N\n0.771820 0.976398 0.308084 N\n0.728180 0.023602 0.808084 N\n0.228180 0.476398 0.191916 N\n0.675982 0.299285 0.446530 N\n0.175982 0.200715 0.553470 N\n0.324018 0.799285 0.053470 N\n0.824018 0.700715 0.946530 N\n0.324018 0.700715 0.553470 N\n0.824018 0.799285 0.446530 N\n0.675982 0.200715 0.946530 N\n0.175982 0.299285 0.053470 N\n0.704199 0.473961 0.068817 N\n0.204199 0.026039 0.931183 N\n0.295801 0.973961 0.431183 N\n0.795801 0.526039 0.568817 N\n0.295801 0.526039 0.931183 N\n0.795801 0.973961 0.068817 N\n0.704199 0.026039 0.568817 N\n0.204199 0.473961 0.431183 N\n0.628593 0.226825 0.186904 N\n0.128593 0.273175 0.813096 N\n0.371407 0.726825 0.313096 N\n0.871407 0.773175 0.686904 N\n0.371407 0.773175 0.813096 N\n0.871407 0.726825 0.186904 N\n0.628593 0.273175 0.686904 N\n0.128593 0.226825 0.313096 N\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"N"
],
"chemical_system": "Fe-Ga-N",
"density": 5.548001344139863,
"density_atomic": 0.08701794629460476,
"volume": 735.4804695496255,
"volume_molar": 6.9205733029042795,
"formula_full": "Ga16 Fe16 N32",
"formula_reduced": "GaFeN2",
"formula_anonymous": "ABC2",
"energy": -458.61163606,
"energy_per_atom": -7.1658068134375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -447.05963606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.093418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.629000Z",
"spacegroup": 61
},
{
"id": "mp-1197566",
"created_at": "2022-09-04T14:48:15.446476Z",
"structure_string": "Na4 Co4 P4 H40 C4 O40\n1.0\n-8.018258 0.000000 2.390287\n0.035188 0.000000 -9.960262\n0.000000 -11.890209 0.000000\nNa Co P H C O\n4 4 4 40 4 40\ndirect\n0.509061 0.541978 0.132105 Na\n0.490939 0.958022 0.632105 Na\n0.490939 0.458022 0.867895 Na\n0.509061 0.041978 0.367895 Na\n0.920315 0.807254 0.144150 Co\n0.079685 0.692746 0.644150 Co\n0.079685 0.192746 0.855850 Co\n0.920315 0.307254 0.355850 Co\n0.005764 0.841559 0.886252 P\n0.994236 0.658441 0.386252 P\n0.994236 0.158441 0.113748 P\n0.005764 0.341559 0.613748 P\n0.874379 0.533316 0.184145 H\n0.125621 0.966684 0.684145 H\n0.125621 0.466684 0.815855 H\n0.874379 0.033316 0.315855 H\n0.833411 0.533615 0.048238 H\n0.166589 0.966385 0.548238 H\n0.166589 0.466385 0.951762 H\n0.833411 0.033615 0.451762 H\n0.677219 0.733255 0.293910 H\n0.322781 0.766745 0.793910 H\n0.322781 0.266745 0.706090 H\n0.677219 0.233255 0.206090 H\n0.603829 0.828516 0.209013 H\n0.396171 0.671484 0.709013 H\n0.396171 0.171484 0.790987 H\n0.603829 0.328516 0.290987 H\n0.138714 0.443507 0.142652 H\n0.861286 0.056493 0.642652 H\n0.861286 0.556493 0.857348 H\n0.138714 0.943507 0.357348 H\n0.179886 0.606827 0.117519 H\n0.820114 0.893173 0.617519 H\n0.820114 0.393173 0.882481 H\n0.179886 0.106827 0.382481 H\n0.531010 0.265009 0.040798 H\n0.468990 0.234991 0.540798 H\n0.468990 0.734991 0.959202 H\n0.531010 0.765009 0.459202 H\n0.342248 0.267629 0.041282 H\n0.657752 0.232371 0.541282 H\n0.657752 0.732371 0.958718 H\n0.342248 0.767629 0.458718 H\n0.536384 0.503765 0.365684 H\n0.463616 0.996235 0.865684 H\n0.463616 0.496235 0.634316 H\n0.536384 0.003765 0.134316 H\n0.365511 0.386260 0.344903 H\n0.634489 0.113740 0.844903 H\n0.634489 0.613740 0.655097 H\n0.365511 0.886260 0.155097 H\n0.190165 0.836816 0.974604 C\n0.809835 0.663184 0.474604 C\n0.809835 0.163184 0.025396 C\n0.190165 0.336816 0.525396 C\n0.864082 0.819796 0.972980 O\n0.135918 0.680204 0.472980 O\n0.135918 0.180204 0.027020 O\n0.864082 0.319796 0.527020 O\n0.981630 0.717211 0.804111 O\n0.018370 0.782789 0.304111 O\n0.018370 0.282789 0.195889 O\n0.981630 0.217211 0.695889 O\n0.047093 0.981271 0.821999 O\n0.952907 0.518729 0.321999 O\n0.952907 0.018729 0.178001 O\n0.047093 0.481271 0.678001 O\n0.168304 0.823854 0.081086 O\n0.831696 0.676146 0.581086 O\n0.831696 0.176146 0.918914 O\n0.168304 0.323854 0.418914 O\n0.327329 0.840143 0.926757 O\n0.672671 0.659857 0.426757 O\n0.672671 0.159857 0.073243 O\n0.327329 0.340143 0.573243 O\n0.828664 0.578510 0.122327 O\n0.171336 0.921490 0.622327 O\n0.171336 0.421490 0.877673 O\n0.828664 0.078510 0.377673 O\n0.671448 0.760548 0.213864 O\n0.328552 0.739452 0.713864 O\n0.328552 0.239452 0.786136 O\n0.671448 0.260548 0.286136 O\n0.211094 0.522674 0.097453 O\n0.788906 0.977326 0.597453 O\n0.788906 0.477326 0.902547 O\n0.211094 0.022674 0.402547 O\n0.459898 0.328325 0.038445 O\n0.540102 0.171675 0.538445 O\n0.540102 0.671675 0.961555 O\n0.459898 0.828325 0.461555 O\n0.476817 0.431271 0.311519 O\n0.523183 0.068729 0.811519 O\n0.523183 0.568729 0.688481 O\n0.476817 0.931271 0.188481 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
"Na",
"Co",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-Co-H-Na-O-P",
"density": 2.065476325376247,
"density_atomic": 0.10120187942267092,
"volume": 948.5989840075479,
"volume_molar": 5.950621465090044,
"formula_full": "Na4 Co4 P4 H40 C4 O40",
"formula_reduced": "NaCoPH10CO10",
"formula_anonymous": "ABCDE10F10",
"energy": -573.9123943000001,
"energy_per_atom": -5.978254107291668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -539.8803943,
"band_gap": 3.3235,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9999656,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.837000Z",
"spacegroup": 14
},
{
"id": "mp-743681",
"created_at": "2022-09-04T14:48:10.422002Z",
"structure_string": "Sr5 La2 Mn8 O18 F6\n1.0\n5.634429 0.000000 0.000000\n0.010755 5.693566 0.000000\n0.009285 0.012622 15.326728\nSr La Mn O F\n5 2 8 18 6\ndirect\n0.995014 0.493353 0.625125 Sr\n0.504006 0.994449 0.375374 Sr\n0.504748 0.995212 0.874902 Sr\n0.494435 0.003708 0.124284 Sr\n0.494412 0.001569 0.624200 Sr\n0.995026 0.500687 0.370578 La\n0.026043 0.500053 0.878558 La\n0.996155 0.996674 0.005310 Mn\n0.502286 0.500833 0.244436 Mn\n0.490808 0.488258 0.751269 Mn\n0.501595 0.501945 0.005811 Mn\n0.510961 0.488253 0.498255 Mn\n0.003528 0.996702 0.244740 Mn\n0.985886 0.010445 0.498489 Mn\n0.013839 0.010227 0.751485 Mn\n0.000224 0.931781 0.374273 O\n0.003294 0.932542 0.875824 O\n0.756220 0.257437 0.482343 O\n0.756364 0.253100 0.271206 O\n0.771094 0.271910 0.769406 O\n0.727280 0.770595 0.005034 O\n0.750213 0.748326 0.508588 O\n0.504127 0.435840 0.125144 O\n0.504992 0.448567 0.625019 O\n0.481736 0.551804 0.876170 O\n0.494928 0.550183 0.374110 O\n0.240000 0.258315 0.482694 O\n0.255158 0.242004 0.981050 O\n0.255715 0.246864 0.765100 O\n0.262262 0.759969 0.244372 O\n0.237547 0.737885 0.739715 O\n0.996342 0.046803 0.625041 O\n0.999829 0.058833 0.125126 O\n0.755990 0.256974 0.978267 F\n0.736955 0.762971 0.737388 F\n0.746812 0.756765 0.237008 F\n0.255593 0.245068 0.269216 F\n0.248639 0.749959 0.514489 F\n0.240941 0.742939 0.015600 F\n",
"nsites": 39,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"O",
"F"
],
"chemical_system": "F-La-Mn-O-Sr",
"density": 5.259738234400469,
"density_atomic": 0.07931966783259342,
"volume": 491.68133283551674,
"volume_molar": 7.59224152666639,
"formula_full": "Sr5 La2 Mn8 O18 F6",
"formula_reduced": "Sr5La2Mn8(O3F)6",
"formula_anonymous": "A2B5C6D8E18",
"energy": -299.71381864,
"energy_per_atom": -7.684969708717949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -271.23181864,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 29.9995097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.227000Z",
"spacegroup": 1
},
{
"id": "mp-757398",
"created_at": "2022-09-04T14:48:19.502791Z",
"structure_string": "Na2 Mn2 P4 H20 N2 O20\n1.0\n8.212038 5.089984 0.000000\n-8.212038 5.089984 0.000000\n0.000000 1.367886 5.460036\nNa Mn P H N O\n2 2 4 20 2 20\ndirect\n0.220790 0.098679 0.651444 Na\n0.098679 0.220790 0.151444 Na\n0.450410 0.940277 0.880096 Mn\n0.940277 0.450410 0.380096 Mn\n0.719702 0.293460 0.960009 P\n0.860649 0.113130 0.750315 P\n0.293460 0.719702 0.460009 P\n0.113130 0.860649 0.250315 P\n0.923575 0.846956 0.797518 H\n0.846956 0.923575 0.297518 H\n0.894160 0.679512 0.984270 H\n0.901059 0.686318 0.678306 H\n0.679512 0.894160 0.484270 H\n0.744807 0.683208 0.854560 H\n0.686318 0.901059 0.178306 H\n0.683208 0.744807 0.354560 H\n0.483880 0.656840 0.781155 H\n0.656840 0.483880 0.281155 H\n0.610436 0.484454 0.551836 H\n0.484454 0.610436 0.051836 H\n0.409142 0.389518 0.907549 H\n0.574484 0.225166 0.570018 H\n0.389518 0.409142 0.407549 H\n0.122039 0.507472 0.874844 H\n0.391334 0.220054 0.995492 H\n0.225166 0.574484 0.070018 H\n0.507472 0.122039 0.374844 H\n0.220054 0.391334 0.495492 H\n0.866646 0.723692 0.828364 N\n0.723692 0.866646 0.328364 N\n0.692207 0.974260 0.787081 O\n0.974260 0.692207 0.287081 O\n0.218721 0.920041 0.993253 O\n0.523803 0.598725 0.889486 O\n0.402173 0.766896 0.643513 O\n0.846135 0.224694 0.943503 O\n0.737920 0.381340 0.699810 O\n0.920041 0.218721 0.493253 O\n0.973738 0.060010 0.841386 O\n0.598725 0.523803 0.389486 O\n0.766896 0.402173 0.143513 O\n0.224694 0.846135 0.443503 O\n0.381340 0.737920 0.199810 O\n0.060010 0.973738 0.341386 O\n0.341317 0.275972 0.914018 O\n0.150704 0.553457 0.556194 O\n0.484983 0.127396 0.550867 O\n0.275972 0.341317 0.414018 O\n0.553457 0.150704 0.056194 O\n0.127396 0.484983 0.050867 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"Na",
"Mn",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-Mn-N-Na-O-P",
"density": 2.35706467218989,
"density_atomic": 0.10954110939316532,
"volume": 456.4496404773466,
"volume_molar": 5.497607969611949,
"formula_full": "Na2 Mn2 P4 H20 N2 O20",
"formula_reduced": "NaMnP2H10NO10",
"formula_anonymous": "ABCD2E10F10",
"energy": -312.11411434,
"energy_per_atom": -6.2422822868,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -294.31611434,
"band_gap": 2.5922,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9998053,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:08.357000Z",
"spacegroup": 9
},
{
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"energy_per_atom": -6.4526717178125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.70149497,
"band_gap": 0.0644,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0062289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.133000Z",
"spacegroup": 5
},
{
"id": "mp-1234045",
"created_at": "2022-09-04T14:48:15.463749Z",
"structure_string": "Ca1 Co5 Sb1 O8\n1.0\n5.462833 0.014976 3.188932\n1.921603 5.033416 3.183539\n0.006355 0.003752 6.375456\nCa Co Sb O\n1 5 1 8\ndirect\n0.950714 0.508227 0.053808 Ca\n0.962703 0.996785 0.074079 Co\n0.457896 0.488142 0.564935 Co\n0.458149 0.488477 0.056150 Co\n0.455706 0.989354 0.560899 Co\n0.962232 0.999146 0.530223 Co\n0.958180 0.485900 0.561463 Sb\n0.196923 0.257625 0.334696 O\n0.187669 0.711125 0.335228 O\n0.195336 0.255939 0.778872 O\n0.678676 0.248588 0.319850 O\n0.236291 0.736066 0.797666 O\n0.735720 0.257711 0.785232 O\n0.720328 0.726917 0.344577 O\n0.718478 0.724998 0.777324 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Sb",
"O"
],
"chemical_system": "Ca-Co-O-Sb",
"density": 5.5469332001633935,
"density_atomic": 0.08572573056902535,
"volume": 174.9766365411395,
"volume_molar": 7.024892899747344,
"formula_full": "Ca1 Co5 Sb1 O8",
"formula_reduced": "CaCo5SbO8",
"formula_anonymous": "ABC5D8",
"energy": -103.82218308,
"energy_per_atom": -6.921478872,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.13618308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9863333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.322000Z",
"spacegroup": 8
}
]
}