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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10397",
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"results": [
{
"id": "mp-1174120",
"created_at": "2022-09-04T14:40:40.771623Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n2.883010 0.000000 0.000000\n0.000000 9.672908 -1.735609\n0.000000 -0.017868 5.102903\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.763251 0.271796 Li\n0.500000 0.244850 0.246629 Li\n0.000000 0.236749 0.728204 Li\n0.500000 0.755150 0.753371 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.116470 0.343405 O\n0.500000 0.615945 0.380217 O\n0.000000 0.612661 0.880958 O\n0.500000 0.110668 0.886866 O\n0.000000 0.387339 0.119042 O\n0.500000 0.889332 0.113134 O\n0.000000 0.883530 0.656595 O\n0.500000 0.384055 0.619783 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9174191974776753,
"density_atomic": 0.11250515132246412,
"volume": 142.21571023126342,
"volume_molar": 5.352768908100253,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy": -101.92554984,
"energy_per_atom": -6.370346865,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.714000Z",
"spacegroup": 10
},
{
"id": "mp-777474",
"created_at": "2022-09-04T14:40:39.757437Z",
"structure_string": "Li4 Fe4 F16\n1.0\n4.951196 0.000000 0.000000\n0.000000 5.693872 0.000000\n0.000000 0.000000 11.118228\nLi Fe F\n4 4 16\ndirect\n0.401959 0.250000 0.071720 Li\n0.901959 0.750000 0.428280 Li\n0.098041 0.250000 0.571720 Li\n0.598041 0.750000 0.928280 Li\n0.457371 0.750000 0.242946 Fe\n0.957371 0.250000 0.257054 Fe\n0.042629 0.750000 0.742946 Fe\n0.542629 0.250000 0.757054 Fe\n0.630467 0.750000 0.092427 F\n0.765399 0.250000 0.112629 F\n0.229832 0.020345 0.183581 F\n0.229832 0.479655 0.183581 F\n0.729832 0.979655 0.316419 F\n0.729832 0.520345 0.316419 F\n0.265399 0.750000 0.387371 F\n0.130467 0.250000 0.407573 F\n0.869533 0.750000 0.592427 F\n0.734601 0.250000 0.612629 F\n0.270168 0.020345 0.683581 F\n0.270168 0.479655 0.683581 F\n0.770168 0.520345 0.816419 F\n0.770168 0.979655 0.816419 F\n0.234601 0.750000 0.887371 F\n0.369533 0.250000 0.907573 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.9409075058043253,
"density_atomic": 0.07656985897664022,
"volume": 313.4392608365894,
"volume_molar": 7.864897285284571,
"formula_full": "Li4 Fe4 F16",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy": -138.91914876,
"energy_per_atom": -5.7882978650000005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -122.50314876000002,
"band_gap": 3.226,
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"is_magnetic": true,
"total_magnetization": 19.9946979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.877000Z",
"spacegroup": 62
},
{
"id": "mp-753513",
"created_at": "2022-09-04T14:40:40.792876Z",
"structure_string": "Li12 Mn4 P8 O32\n1.0\n-0.000741 4.727309 -0.000566\n-4.478385 -2.363049 0.333588\n1.884551 2.360838 27.285194\nLi Mn P O\n12 4 8 32\ndirect\n0.984551 0.373014 0.374986 Li\n0.984556 0.873025 0.874991 Li\n0.016543 0.123280 0.125092 Li\n0.016519 0.623267 0.625092 Li\n0.324901 0.995380 0.331847 Li\n0.324906 0.495389 0.831845 Li\n0.341525 0.746354 0.082044 Li\n0.341496 0.246326 0.582046 Li\n0.659702 0.750540 0.417914 Li\n0.659715 0.250565 0.917918 Li\n0.675624 0.500074 0.168404 Li\n0.675631 0.000103 0.668409 Li\n0.999610 0.747372 0.749988 Mn\n0.000646 0.499068 0.500113 Mn\n0.999617 0.247221 0.249973 Mn\n0.000501 0.999109 0.000129 Mn\n0.348448 0.126312 0.441638 P\n0.348496 0.626352 0.941651 P\n0.338267 0.875160 0.191699 P\n0.338317 0.375117 0.691693 P\n0.661650 0.619568 0.308234 P\n0.661687 0.119530 0.808231 P\n0.652446 0.371110 0.058576 P\n0.652396 0.871068 0.558566 P\n0.225462 0.350135 0.429659 O\n0.225508 0.850160 0.929663 O\n0.697229 0.098321 0.179782 O\n0.697257 0.598382 0.679782 O\n0.302952 0.396065 0.320282 O\n0.302966 0.896120 0.820284 O\n0.776163 0.147713 0.070471 O\n0.776105 0.647683 0.570470 O\n0.570349 0.262231 0.483758 O\n0.570437 0.762314 0.983764 O\n0.210164 0.010960 0.233857 O\n0.210249 0.510916 0.733859 O\n0.789196 0.483642 0.266014 O\n0.789275 0.983602 0.766018 O\n0.429897 0.235293 0.016521 O\n0.429821 0.735219 0.516516 O\n0.530358 0.061090 0.397177 O\n0.530349 0.561111 0.897179 O\n0.135993 0.810665 0.147232 O\n0.135986 0.310691 0.647231 O\n0.864677 0.684627 0.352637 O\n0.864675 0.184672 0.852638 O\n0.471022 0.436186 0.103098 O\n0.471015 0.936163 0.603098 O\n0.674557 0.919851 0.292026 O\n0.674570 0.419825 0.792036 O\n0.955532 0.671284 0.042288 O\n0.955443 0.171227 0.542275 O\n0.045121 0.826180 0.457928 O\n0.045209 0.326240 0.957944 O\n0.324669 0.574570 0.207919 O\n0.324672 0.074521 0.707929 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.039323592923902,
"density_atomic": 0.09644021382829024,
"volume": 580.670632892901,
"volume_molar": 6.244429082998814,
"formula_full": "Li12 Mn4 P8 O32",
"formula_reduced": "Li3Mn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -406.89118547,
"energy_per_atom": -7.26591402625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -378.23518547,
"band_gap": 1.6431000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.288000Z",
"spacegroup": 15
},
{
"id": "mp-1275808",
"created_at": "2022-09-04T14:40:39.595102Z",
"structure_string": "Li4 Mn6 Sb2 O16\n1.0\n-2.924645 1.870580 4.846680\n6.268300 7.175949 5.225158\n-3.084000 5.339688 -0.001382\nLi Mn Sb O\n4 6 2 16\ndirect\n0.440719 0.697741 0.430779 Li\n0.940501 0.197860 0.930906 Li\n0.059294 0.802152 0.069243 Li\n0.559370 0.302268 0.569140 Li\n0.499416 0.999890 0.500416 Mn\n0.500158 0.000064 0.000044 Mn\n0.500249 0.499965 0.999919 Mn\n0.000355 0.499990 0.999806 Mn\n0.000173 0.500053 0.499896 Mn\n0.999808 0.000039 0.499614 Mn\n0.249966 0.249979 0.250191 Sb\n0.749993 0.749987 0.750106 Sb\n0.369900 0.906743 0.361495 O\n0.870458 0.406751 0.861343 O\n0.130089 0.593297 0.138312 O\n0.629483 0.093241 0.638562 O\n0.607028 0.134245 0.129528 O\n0.107171 0.634334 0.629386 O\n0.149916 0.123577 0.589658 O\n0.650430 0.623540 0.089447 O\n0.150246 0.123654 0.136461 O\n0.650612 0.623619 0.636261 O\n0.349823 0.376363 0.363597 O\n0.849787 0.876454 0.863415 O\n0.350004 0.376418 0.910509 O\n0.849360 0.876359 0.410553 O\n0.892954 0.365773 0.370530 O\n0.392737 0.865644 0.870883 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.432997432337752,
"density_atomic": 0.08723181677021727,
"volume": 320.98379968121645,
"volume_molar": 6.9036057977140315,
"formula_full": "Li4 Mn6 Sb2 O16",
"formula_reduced": "Li2Mn3SbO8",
"formula_anonymous": "AB2C3D8",
"energy": -208.74411229,
"energy_per_atom": -7.4551468675,
"energy_above_hull": null,
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"energy_uncorrected": -187.74411229,
"band_gap": 0.7547000000000001,
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"is_magnetic": true,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.056000Z",
"spacegroup": 12
},
{
"id": "mp-699478",
"created_at": "2022-09-04T14:40:39.614168Z",
"structure_string": "Fe4 H48 N12 F24\n1.0\n9.135169 0.000000 0.000000\n0.000000 9.140311 0.000000\n0.000000 0.000000 9.149890\nFe H N F\n4 48 12 24\ndirect\n0.251185 0.251455 0.749235 Fe\n0.751185 0.248545 0.250765 Fe\n0.248815 0.748545 0.249235 Fe\n0.748815 0.751455 0.750765 Fe\n0.428648 0.052123 0.929310 H\n0.928648 0.447877 0.070690 H\n0.071352 0.947877 0.429310 H\n0.571352 0.552123 0.570690 H\n0.565901 0.931413 0.934570 H\n0.065901 0.568587 0.065430 H\n0.934099 0.068587 0.434570 H\n0.434099 0.431413 0.565430 H\n0.448290 0.930637 0.073589 H\n0.948290 0.569363 0.926411 H\n0.051710 0.069363 0.573589 H\n0.551710 0.430637 0.426411 H\n0.570569 0.071094 0.053067 H\n0.070569 0.428906 0.946933 H\n0.929431 0.928906 0.553067 H\n0.429431 0.571094 0.446933 H\n0.935719 0.055803 0.926980 H\n0.435719 0.444197 0.073020 H\n0.564281 0.944197 0.426980 H\n0.064281 0.555803 0.573020 H\n0.071784 0.932352 0.944525 H\n0.571784 0.567648 0.055475 H\n0.428216 0.067648 0.444525 H\n0.928216 0.432352 0.555475 H\n0.934744 0.936087 0.063819 H\n0.434744 0.563913 0.936181 H\n0.565256 0.063913 0.563819 H\n0.065256 0.436087 0.436181 H\n0.056551 0.071010 0.066792 H\n0.556551 0.428990 0.933208 H\n0.443449 0.928990 0.566792 H\n0.943449 0.571010 0.433208 H\n0.812064 0.812061 0.319070 H\n0.312064 0.687939 0.680930 H\n0.687936 0.187939 0.819070 H\n0.187936 0.312061 0.180930 H\n0.682725 0.812841 0.187166 H\n0.182725 0.687159 0.812834 H\n0.817275 0.187159 0.687166 H\n0.317275 0.312841 0.312834 H\n0.813792 0.681783 0.188926 H\n0.313792 0.818217 0.811074 H\n0.686208 0.318217 0.688926 H\n0.186208 0.181783 0.311074 H\n0.684800 0.684784 0.315535 H\n0.184800 0.815216 0.684465 H\n0.815200 0.315216 0.815535 H\n0.315200 0.184784 0.184465 H\n0.501715 0.998663 0.998734 N\n0.001715 0.501337 0.001266 N\n0.998285 0.001337 0.498734 N\n0.498285 0.498663 0.501266 N\n0.000523 0.999671 0.999684 N\n0.500523 0.500329 0.000316 N\n0.499477 0.000329 0.499684 N\n0.999477 0.499671 0.500316 N\n0.749459 0.749414 0.250587 N\n0.249459 0.750586 0.749413 N\n0.750541 0.250586 0.750587 N\n0.250541 0.249414 0.249413 N\n0.294142 0.042699 0.784053 F\n0.794142 0.457301 0.215947 F\n0.205858 0.957301 0.284053 F\n0.705858 0.542699 0.715947 F\n0.210619 0.460504 0.724940 F\n0.710619 0.039496 0.275060 F\n0.289381 0.539496 0.224940 F\n0.789381 0.960504 0.775060 F\n0.285010 0.232327 0.538257 F\n0.785010 0.267673 0.461743 F\n0.214990 0.767673 0.038257 F\n0.714990 0.732327 0.961743 F\n0.210305 0.275653 0.959516 F\n0.710305 0.224347 0.040484 F\n0.289695 0.724347 0.459516 F\n0.789695 0.775653 0.540484 F\n0.459700 0.293670 0.776001 F\n0.959700 0.206330 0.223999 F\n0.040300 0.706330 0.276001 F\n0.540300 0.793670 0.723999 F\n0.043924 0.200728 0.714714 F\n0.543924 0.299272 0.285286 F\n0.456076 0.799272 0.214714 F\n0.956076 0.700728 0.785286 F\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Fe",
"H",
"N",
"F"
],
"chemical_system": "F-Fe-H-N",
"density": 1.9470104090075544,
"density_atomic": 0.11518322657639077,
"volume": 764.000129321238,
"volume_molar": 5.228313999353066,
"formula_full": "Fe4 H48 N12 F24",
"formula_reduced": "FeH12(NF2)3",
"formula_anonymous": "AB3C6D12",
"energy": -457.51169054,
"energy_per_atom": -5.198996483409091,
"energy_above_hull": null,
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"energy_uncorrected": -433.06769054,
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"updated_at": "2021-11-28T01:35:06.703000Z",
"spacegroup": 19
},
{
"id": "mp-1221590",
"created_at": "2022-09-04T14:40:40.904826Z",
"structure_string": "Mn1 Hg3 S4\n1.0\n13.673680 -2.095253 0.000000\n13.673680 2.095253 0.000000\n13.352619 0.000000 3.614855\nMn Hg S\n1 3 4\ndirect\n0.750861 0.750861 0.750861 Mn\n0.002244 0.002244 0.002244 Hg\n0.249869 0.249869 0.249869 Hg\n0.496953 0.496953 0.496953 Hg\n0.938840 0.938840 0.938840 S\n0.186249 0.186249 0.186249 S\n0.432916 0.432916 0.432916 S\n0.692068 0.692068 0.692068 S\n",
"nsites": 8,
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"elements": [
"Mn",
"Hg",
"S"
],
"chemical_system": "Hg-Mn-S",
"density": 6.293008447147708,
"density_atomic": 0.038623108726102647,
"volume": 207.12988321919727,
"volume_molar": 15.5920664043546,
"formula_full": "Mn1 Hg3 S4",
"formula_reduced": "MnHg3S4",
"formula_anonymous": "AB3C4",
"energy": -30.33032727,
"energy_per_atom": -3.79129090875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:08.518000Z",
"spacegroup": 160
},
{
"id": "mp-556671",
"created_at": "2022-09-04T14:40:31.702482Z",
"structure_string": "Lu1 U4 S5 O4\n1.0\n-1.895179 1.895179 17.270843\n1.895179 -1.895179 17.270843\n1.895179 1.895179 -17.270843\nLu U S O\n1 4 5 4\ndirect\n0.500000 0.500000 0.000000 Lu\n0.307648 0.307648 0.000000 U\n0.692352 0.692352 0.000000 U\n0.114170 0.114170 0.000000 U\n0.885830 0.885830 0.000000 U\n0.776989 0.776989 0.000000 S\n0.422949 0.422949 0.000000 S\n0.223011 0.223011 0.000000 S\n0.577051 0.577051 0.000000 S\n0.000000 0.000000 0.000000 S\n0.651036 0.151036 0.500000 O\n0.151036 0.651036 0.500000 O\n0.348964 0.848964 0.500000 O\n0.848964 0.348964 0.500000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Lu",
"U",
"S",
"O"
],
"chemical_system": "Lu-O-S-U",
"density": 9.044002996393765,
"density_atomic": 0.05642272242170187,
"volume": 248.1269850001988,
"volume_molar": 10.6732545001829,
"formula_full": "Lu1 U4 S5 O4",
"formula_reduced": "LuU4S5O4",
"formula_anonymous": "AB4C4D5",
"energy": -128.51112772,
"energy_per_atom": -9.179366265714284,
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"updated_at": "2021-11-28T01:35:03.691000Z",
"spacegroup": 139
},
{
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