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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10411",
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"results": [
{
"id": "mp-752859",
"created_at": "2022-09-04T14:45:07.114332Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n8.594703 0.000000 0.000000\n0.000000 5.153283 0.000000\n0.000000 2.227456 6.444394\nLi Fe P O\n2 2 4 14\ndirect\n0.516982 0.738079 0.802372 Li\n0.016982 0.261921 0.197628 Li\n0.155328 0.805816 0.671402 Fe\n0.655328 0.194184 0.328598 Fe\n0.812663 0.608720 0.541851 P\n0.209121 0.819181 0.050305 P\n0.709121 0.180819 0.949695 P\n0.312663 0.391280 0.458149 P\n0.669238 0.964697 0.859683 O\n0.320840 0.896229 0.860584 O\n0.971016 0.748652 0.526120 O\n0.672122 0.805683 0.501023 O\n0.307494 0.576124 0.595862 O\n0.571292 0.317416 0.033383 O\n0.801113 0.427722 0.780018 O\n0.301113 0.572278 0.219982 O\n0.071292 0.682584 0.966617 O\n0.807494 0.423876 0.404138 O\n0.172122 0.194317 0.498977 O\n0.471016 0.251348 0.473880 O\n0.820840 0.103771 0.139416 O\n0.169238 0.035303 0.140317 O\n",
"nsites": 22,
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"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7544456009815277,
"density_atomic": 0.07707716448202456,
"volume": 285.42824775463424,
"volume_molar": 7.813132203902551,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -165.59662267,
"energy_per_atom": -7.527119212272726,
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"energy_uncorrected": -151.46662267,
"band_gap": 2.3635,
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"is_magnetic": true,
"total_magnetization": 9.9997701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.872000Z",
"spacegroup": 4
},
{
"id": "mp-1520996",
"created_at": "2022-09-04T14:45:15.835273Z",
"structure_string": "Ba2 Ca2 Eu2 W2 O12\n1.0\n5.932092 -0.013351 -0.022178\n-0.016602 5.957327 -0.037455\n-0.034978 -0.056140 8.391167\nBa Ca Eu W O\n2 2 2 2 12\ndirect\n0.503760 0.525356 0.250814 Ba\n0.496240 0.474644 0.749186 Ba\n-0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.994026 0.040116 0.252517 Eu\n0.005974 0.959884 0.747483 Eu\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.239423 0.193852 0.954827 O\n0.260017 0.699927 0.528632 O\n0.760577 0.806148 0.045173 O\n0.739983 0.300073 0.471368 O\n0.302564 0.740622 0.961651 O\n0.187401 0.232560 0.541122 O\n0.697436 0.259378 0.038349 O\n0.812599 0.767440 0.458878 O\n0.414362 0.998037 0.226789 O\n0.058376 0.465177 0.271003 O\n0.585638 0.001963 0.773211 O\n0.941624 0.534823 0.728997 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-W",
"density": 6.823213689787903,
"density_atomic": 0.06744909564107882,
"volume": 296.51991342370667,
"volume_molar": 8.928423283902875,
"formula_full": "Ba2 Ca2 Eu2 W2 O12",
"formula_reduced": "BaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -173.82673486000002,
"energy_per_atom": -8.691336743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -156.70673486,
"band_gap": 0.1995000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.194000Z",
"spacegroup": 2
},
{
"id": "mp-780389",
"created_at": "2022-09-04T14:45:15.838569Z",
"structure_string": "Li5 Mn10 B10 O30\n1.0\n-5.791273 0.000000 0.000000\n2.209414 8.890936 0.000000\n-0.420873 -3.171170 -12.034569\nLi Mn B O\n5 10 10 30\ndirect\n0.035885 0.661993 0.708306 Li\n0.168712 0.944469 0.500118 Li\n0.765489 0.745581 0.097939 Li\n0.557900 0.143978 0.898554 Li\n0.962526 0.343114 0.297087 Li\n0.166718 0.562410 0.913325 Mn\n0.247483 0.622037 0.497008 Mn\n0.033545 0.027940 0.289803 Mn\n0.560524 0.767260 0.314354 Mn\n0.354198 0.167388 0.109268 Mn\n0.630296 0.823266 0.885630 Mn\n0.441961 0.255677 0.696334 Mn\n0.961958 0.994130 0.714940 Mn\n0.748393 0.366920 0.506484 Mn\n0.842007 0.428029 0.095367 Mn\n0.039214 0.685171 0.291345 B\n0.161889 0.906577 0.904076 B\n0.432345 0.900301 0.690368 B\n0.226927 0.277843 0.484465 B\n0.372091 0.511496 0.110486 B\n0.640268 0.484760 0.895746 B\n0.775283 0.712588 0.517357 B\n0.563836 0.108987 0.305949 B\n0.832558 0.081739 0.085696 B\n0.962501 0.327739 0.711243 B\n0.020374 0.482456 0.754942 O\n0.204773 0.749158 0.381249 O\n0.997633 0.149068 0.176373 O\n0.330697 0.003149 0.656113 O\n0.124925 0.379810 0.446723 O\n0.288469 0.801460 0.920596 O\n0.100638 0.230924 0.731769 O\n0.166266 0.445783 0.041072 O\n0.355162 0.741878 0.650214 O\n0.159579 0.120020 0.443464 O\n0.451021 0.666106 0.151060 O\n0.237192 0.060996 0.945806 O\n0.605741 0.958602 0.778021 O\n0.398437 0.340833 0.569916 O\n0.525512 0.584937 0.866773 O\n0.499319 0.405566 0.125531 O\n0.574784 0.646746 0.444569 O\n0.357210 0.045344 0.237128 O\n0.776636 0.924538 0.041596 O\n0.577339 0.327062 0.849349 O\n0.853442 0.867297 0.555779 O\n0.642982 0.264324 0.345264 O\n0.815891 0.548892 0.980824 O\n0.931447 0.782776 0.252501 O\n0.726166 0.181357 0.048637 O\n0.901743 0.609024 0.542579 O\n0.692908 0.005068 0.322958 O\n0.962240 0.840298 0.827711 O\n0.762474 0.256318 0.639361 O\n0.977958 0.526772 0.248796 O\n",
"nsites": 55,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.141162444424886,
"density_atomic": 0.08875863734018442,
"volume": 619.6580034143832,
"volume_molar": 6.784850399312684,
"formula_full": "Li5 Mn10 B10 O30",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -450.24392625,
"energy_per_atom": -8.186253204545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -412.95392625,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 45.1064801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.605000Z",
"spacegroup": 1
},
{
"id": "mp-1239342",
"created_at": "2022-09-04T14:45:14.976889Z",
"structure_string": "Sr3 Cr2 S2 O5\n1.0\n4.104055 0.000000 0.000000\n0.000000 3.921969 0.000000\n-2.052028 -1.960985 11.308289\nSr Cr S O\n3 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.662750 0.662750 0.325498 Sr\n0.337250 0.337250 0.674502 Sr\n0.084398 0.084398 0.168796 Cr\n0.915602 0.915602 0.831204 Cr\n0.193806 0.193806 0.387612 S\n0.806194 0.806194 0.612388 S\n0.085361 0.585361 0.170723 O\n0.584928 0.084928 0.169858 O\n0.914639 0.414639 0.829277 O\n0.415072 0.915072 0.830142 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-O-S-Sr",
"density": 4.661633130166901,
"density_atomic": 0.06592756235333082,
"volume": 182.0179538216118,
"volume_molar": 9.134481156341051,
"formula_full": "Sr3 Cr2 S2 O5",
"formula_reduced": "Sr3Cr2S2O5",
"formula_anonymous": "A2B2C3D5",
"energy": -85.34325559999999,
"energy_per_atom": -7.111937966666666,
"energy_above_hull": null,
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"energy_uncorrected": -76.9042556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0075052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.932000Z",
"spacegroup": 71
},
{
"id": "mp-774707",
"created_at": "2022-09-04T14:45:14.977164Z",
"structure_string": "Li10 Mn10 Se16 O48\n1.0\n8.502569 0.000000 0.000000\n2.985103 10.212861 0.000000\n1.898158 1.475406 13.689295\nLi Mn Se O\n10 10 16 48\ndirect\n0.082246 0.928267 0.874907 Li\n0.028595 0.415579 0.926006 Li\n0.971405 0.584421 0.073994 Li\n0.599315 0.669678 0.278771 Li\n0.917754 0.071733 0.125093 Li\n0.579948 0.923355 0.372552 Li\n0.529964 0.418219 0.424548 Li\n0.470036 0.581781 0.575452 Li\n0.420052 0.076645 0.627448 Li\n0.400685 0.330322 0.721229 Li\n0.749396 0.001809 0.749544 Mn\n0.749370 0.498311 0.748795 Mn\n0.435957 0.779702 0.780493 Mn\n0.098777 0.665284 0.778959 Mn\n0.564043 0.220298 0.219507 Mn\n0.250604 0.998191 0.250456 Mn\n0.250630 0.501689 0.251205 Mn\n0.901223 0.334716 0.221041 Mn\n0.933310 0.777393 0.279996 Mn\n0.066690 0.222607 0.720004 Mn\n0.395621 0.474056 0.893820 Se\n0.372951 0.068228 0.880834 Se\n0.627049 0.931772 0.119166 Se\n0.604379 0.525944 0.106180 Se\n0.846205 0.203924 0.912634 Se\n0.767897 0.736979 0.909446 Se\n0.232103 0.263021 0.090554 Se\n0.153795 0.796076 0.087366 Se\n0.346916 0.203800 0.412877 Se\n0.270839 0.735800 0.408125 Se\n0.729161 0.264200 0.591875 Se\n0.653084 0.796200 0.587123 Se\n0.891657 0.479322 0.395019 Se\n0.873409 0.066872 0.383019 Se\n0.126591 0.933128 0.616981 Se\n0.108343 0.520678 0.604981 Se\n0.542922 0.426295 0.799058 O\n0.655982 0.663250 0.851896 O\n0.318868 0.148001 0.768907 O\n0.589541 0.020864 0.865982 O\n0.305666 0.641424 0.858189 O\n0.327114 0.920269 0.883527 O\n0.251381 0.406454 0.863955 O\n0.865731 0.824002 0.811077 O\n0.926995 0.095449 0.821084 O\n0.913110 0.337879 0.846415 O\n0.748619 0.593546 0.136045 O\n0.672886 0.079731 0.116473 O\n0.694334 0.358576 0.141811 O\n0.944405 0.611781 0.924683 O\n0.410459 0.979136 0.134018 O\n0.012456 0.849188 0.006320 O\n0.681132 0.851999 0.231093 O\n0.987544 0.150812 0.993680 O\n0.344018 0.336750 0.148104 O\n0.457078 0.573705 0.200942 O\n0.055595 0.388219 0.075317 O\n0.086890 0.662121 0.153585 O\n0.073005 0.904551 0.178916 O\n0.134269 0.175998 0.188923 O\n0.366372 0.824181 0.310823 O\n0.426163 0.095641 0.320743 O\n0.413613 0.337552 0.345583 O\n0.440623 0.609988 0.428463 O\n0.042456 0.426880 0.298834 O\n0.155592 0.662517 0.350283 O\n0.511564 0.850137 0.506819 O\n0.820500 0.149790 0.269119 O\n0.488436 0.149863 0.493181 O\n0.088595 0.023475 0.366721 O\n0.559377 0.390012 0.571537 O\n0.802711 0.641090 0.358362 O\n0.826744 0.921210 0.382663 O\n0.758382 0.400488 0.362154 O\n0.586387 0.662448 0.654417 O\n0.573837 0.904359 0.679257 O\n0.633628 0.175819 0.689177 O\n0.241618 0.599512 0.637846 O\n0.173256 0.078790 0.617337 O\n0.197289 0.358910 0.641638 O\n0.911405 0.976525 0.633279 O\n0.179500 0.850210 0.730881 O\n0.844408 0.337483 0.649717 O\n0.957544 0.573120 0.701166 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Se",
"O"
],
"chemical_system": "Li-Mn-O-Se",
"density": 3.7019985041981145,
"density_atomic": 0.07066439051342281,
"volume": 1188.7175335368395,
"volume_molar": 8.5221717986177,
"formula_full": "Li10 Mn10 Se16 O48",
"formula_reduced": "Li5Mn5(SeO3)8",
"formula_anonymous": "A5B5C8D24",
"energy": -550.68383239,
"energy_per_atom": -6.555759909404762,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -501.02783239,
"band_gap": 0.7279,
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"is_magnetic": true,
"total_magnetization": 48.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.030000Z",
"spacegroup": 2
},
{
"id": "mp-1041564",
"created_at": "2022-09-04T14:45:13.096006Z",
"structure_string": "Ca8 Ti8 Si16 O48\n1.0\n5.412396 0.000000 0.000000\n0.000000 9.676939 0.000000\n0.000000 0.000000 19.305537\nCa Ti Si O\n8 8 16 48\ndirect\n0.621135 0.148975 0.378054 Ca\n0.378865 0.851025 0.621946 Ca\n0.621135 0.648975 0.121946 Ca\n0.121135 0.851025 0.121946 Ca\n0.878865 0.148975 0.878054 Ca\n0.378865 0.351025 0.878054 Ca\n0.121135 0.351025 0.378054 Ca\n0.878865 0.648975 0.621946 Ca\n0.365442 0.979196 0.873498 Ti\n0.634558 0.020804 0.126502 Ti\n0.865442 0.020804 0.626502 Ti\n0.134558 0.979196 0.373498 Ti\n0.365442 0.479196 0.626502 Ti\n0.634558 0.520804 0.373498 Ti\n0.865442 0.520804 0.873498 Ti\n0.134558 0.479196 0.126502 Ti\n0.551187 0.664200 0.771505 Si\n0.726813 0.833096 0.474344 Si\n0.773187 0.833096 0.974344 Si\n0.948813 0.164200 0.228495 Si\n0.051187 0.335800 0.728495 Si\n0.448813 0.835800 0.271505 Si\n0.226813 0.666904 0.474344 Si\n0.726813 0.333096 0.025656 Si\n0.773187 0.333096 0.525656 Si\n0.948813 0.664200 0.271505 Si\n0.448813 0.335800 0.228495 Si\n0.551187 0.164200 0.728495 Si\n0.273187 0.166904 0.525656 Si\n0.051187 0.835800 0.771505 Si\n0.273187 0.666904 0.974344 Si\n0.226813 0.166904 0.025656 Si\n0.948045 0.519177 0.312356 O\n0.309994 0.031787 0.067864 O\n0.051955 0.480823 0.687644 O\n0.738105 0.347043 0.941511 O\n0.238105 0.152957 0.941511 O\n0.930514 0.206806 0.047978 O\n0.972868 0.652582 0.187710 O\n0.027132 0.847418 0.687710 O\n0.738105 0.847043 0.558489 O\n0.972868 0.152582 0.312290 O\n0.448045 0.480823 0.187644 O\n0.761895 0.347043 0.441511 O\n0.690006 0.968213 0.932136 O\n0.472868 0.847418 0.187710 O\n0.551955 0.019177 0.687644 O\n0.309994 0.531787 0.432136 O\n0.448045 0.980823 0.312356 O\n0.172475 0.771947 0.298125 O\n0.327525 0.771947 0.798125 O\n0.569486 0.706806 0.952022 O\n0.761895 0.847043 0.058489 O\n0.527132 0.652582 0.687710 O\n0.809994 0.468213 0.067864 O\n0.172475 0.271947 0.201875 O\n0.261895 0.152957 0.441511 O\n0.527132 0.152582 0.812290 O\n0.690006 0.468213 0.567864 O\n0.238105 0.652957 0.558489 O\n0.190006 0.531787 0.932136 O\n0.672475 0.728053 0.298125 O\n0.051955 0.980823 0.812356 O\n0.827525 0.728053 0.798125 O\n0.827525 0.228053 0.701875 O\n0.809994 0.968213 0.432136 O\n0.261895 0.652957 0.058489 O\n0.190006 0.031787 0.567864 O\n0.327525 0.271947 0.701875 O\n0.069486 0.793194 0.952022 O\n0.430514 0.793194 0.452022 O\n0.672475 0.228053 0.201875 O\n0.430514 0.293194 0.047978 O\n0.569486 0.206806 0.547978 O\n0.069486 0.293194 0.547978 O\n0.472868 0.347418 0.312290 O\n0.551955 0.519177 0.812356 O\n0.930514 0.706806 0.452022 O\n0.027132 0.347418 0.812290 O\n0.948045 0.019177 0.187644 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Ti",
"density": 3.154599418370525,
"density_atomic": 0.07911895322943148,
"volume": 1011.1357232951962,
"volume_molar": 7.611502066435103,
"formula_full": "Ca8 Ti8 Si16 O48",
"formula_reduced": "CaTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -649.24167895,
"energy_per_atom": -8.115520986875001,
"energy_above_hull": null,
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"energy_uncorrected": -616.26567895,
"band_gap": 0.1925999999999996,
"is_gap_direct": true,
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"total_magnetization": 16.0009338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.933000Z",
"spacegroup": 61
},
{
"id": "mp-1221904",
"created_at": "2022-09-04T14:45:06.915676Z",
"structure_string": "Mn2 Al2 Cu1\n1.0\n-1.368592 1.368592 8.518936\n1.368592 -1.368592 8.518936\n1.368592 1.368592 -8.518936\nMn Al Cu\n2 2 1\ndirect\n0.813349 0.813349 0.000000 Mn\n0.387910 0.387910 0.000000 Mn\n0.590402 0.590402 0.000000 Al\n0.217548 0.217548 0.000000 Al\n0.990791 0.990791 0.000000 Cu\n",
"nsites": 5,
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"elements": [
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"Al",
"Cu"
],
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"density": 5.9158600014267355,
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"volume": 63.825369973243276,
"volume_molar": 7.687307240758969,
"formula_full": "Mn2 Al2 Cu1",
"formula_reduced": "Mn2Al2Cu",
"formula_anonymous": "AB2C2",
"energy": -30.01200211,
"energy_per_atom": -6.002400422,
"energy_above_hull": null,
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"energy_uncorrected": -30.01200211,
"band_gap": 0.0,
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}