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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=27",
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"results": [
{
"id": "mp-1522087",
"created_at": "2022-09-04T14:43:09.100085Z",
"structure_string": "K1 Pr1 V4 O12\n1.0\n0.000000 3.614465 4.823682\n0.000000 -3.614465 4.823682\n7.219039 0.000000 0.000000\nK Pr V O\n1 1 4 12\ndirect\n0.035003 0.035003 0.500000 K\n0.547016 0.547016 0.000000 Pr\n0.539668 0.035756 0.752708 V\n0.539668 0.035756 0.247292 V\n0.035756 0.539668 0.247292 V\n0.035756 0.539668 0.752708 V\n0.724036 0.195353 0.781891 O\n0.195353 0.724036 0.781891 O\n0.195353 0.724036 0.218109 O\n0.724036 0.195353 0.218109 O\n0.718654 0.718654 0.741144 O\n0.263640 0.263640 0.773500 O\n0.263640 0.263640 0.226500 O\n0.718654 0.718654 0.258856 O\n0.487999 0.953056 0.000000 O\n0.500952 0.023360 0.500000 O\n0.953056 0.487999 0.000000 O\n0.023360 0.500952 0.500000 O\n",
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"formula_full": "K1 Pr1 V4 O12",
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"updated_at": "2021-11-28T01:36:03.832000Z",
"spacegroup": 38
},
{
"id": "mp-1233301",
"created_at": "2022-09-04T14:43:08.203767Z",
"structure_string": "Sm4 Tm4 Mg1 O12\n1.0\n6.077540 0.289312 0.222604\n0.420192 8.990792 0.589092\n0.216554 0.407751 5.824585\nSm Tm Mg O\n4 4 1 12\ndirect\n0.002956 0.189943 0.981353 Sm\n0.432877 0.735040 0.474237 Sm\n0.619964 0.300066 0.553412 Sm\n0.934502 0.729242 0.017178 Sm\n0.896577 0.949517 0.475640 Tm\n0.055874 0.500598 0.513234 Tm\n0.473407 0.964395 0.924033 Tm\n0.512478 0.499529 0.013752 Tm\n0.284316 0.116604 0.428736 Mg\n0.037190 0.727256 0.615954 O\n0.232552 0.609265 0.201826 O\n0.175958 0.953623 0.174063 O\n0.372368 0.494311 0.677521 O\n0.314096 0.182202 0.752310 O\n0.439937 0.285038 0.231953 O\n0.587879 0.737638 0.834612 O\n0.692898 0.877888 0.229688 O\n0.751236 0.543876 0.286374 O\n0.783461 0.059073 0.789772 O\n0.832502 0.407759 0.804587 O\n0.962808 0.199637 0.373932 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Tm",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sm-Tm",
"density": 7.854475804046633,
"density_atomic": 0.06651039866273938,
"volume": 315.7401011304519,
"volume_molar": 9.054434917067699,
"formula_full": "Sm4 Tm4 Mg1 O12",
"formula_reduced": "Sm4Tm4MgO12",
"formula_anonymous": "AB4C4D12",
"energy": -172.872016,
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"energy_uncorrected": -164.628016,
"band_gap": 0.6578999999999997,
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"updated_at": "2021-11-28T01:36:07.812000Z",
"spacegroup": 1
},
{
"id": "mp-7476",
"created_at": "2022-09-04T14:43:08.417287Z",
"structure_string": "Rb1 Dy1 O2\n1.0\n6.641267 -1.756380 0.000000\n6.641267 1.756380 0.000000\n6.176767 0.000000 3.006468\nRb Dy O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Dy\n0.774956 0.774956 0.774956 O\n0.225044 0.225044 0.225044 O\n",
"nsites": 4,
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"elements": [
"Rb",
"Dy",
"O"
],
"chemical_system": "Dy-O-Rb",
"density": 6.628256639116938,
"density_atomic": 0.05703008071385792,
"volume": 70.13842431802884,
"volume_molar": 10.559586598194416,
"formula_full": "Rb1 Dy1 O2",
"formula_reduced": "RbDyO2",
"formula_anonymous": "ABC2",
"energy": -27.65211322,
"energy_per_atom": -6.913028305,
"energy_above_hull": null,
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"energy_uncorrected": -26.27811322,
"band_gap": 3.6020000000000003,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.639000Z",
"spacegroup": 166
},
{
"id": "mp-1245115",
"created_at": "2022-09-04T14:43:09.076697Z",
"structure_string": "Sn40 O40\n1.0\n12.053511 0.184362 -0.457437\n0.182090 12.222763 0.710340\n-0.456717 0.696910 12.186919\nSn O\n40 40\ndirect\n0.834604 0.060665 0.773052 Sn\n0.718022 0.493132 0.145056 Sn\n0.600861 0.554168 0.496407 Sn\n0.696381 0.805287 0.259518 Sn\n0.931614 0.989392 0.474239 Sn\n0.351630 0.236134 0.436451 Sn\n0.884368 0.570781 0.581748 Sn\n0.244220 0.801771 0.149502 Sn\n0.159226 0.898776 0.393948 Sn\n0.673961 0.310262 0.896717 Sn\n0.653943 0.033076 0.993883 Sn\n0.417698 0.816693 0.455918 Sn\n0.910767 0.958581 0.191868 Sn\n0.003711 0.234535 0.670940 Sn\n0.750646 0.204896 0.220844 Sn\n0.399386 0.113544 0.167304 Sn\n0.538813 0.071334 0.688958 Sn\n0.960221 0.225755 0.021628 Sn\n0.354385 0.048829 0.912345 Sn\n0.062922 0.961105 0.936122 Sn\n0.419311 0.431607 0.020294 Sn\n0.047790 0.439366 0.151694 Sn\n0.276481 0.472261 0.317009 Sn\n0.510447 0.679593 0.092253 Sn\n0.515196 0.663132 0.810753 Sn\n0.939029 0.816166 0.679844 Sn\n0.735983 0.345183 0.634388 Sn\n0.409991 0.320107 0.760668 Sn\n0.153063 0.616434 0.588048 Sn\n0.201326 0.585055 0.968438 Sn\n0.546073 0.090821 0.421753 Sn\n0.968364 0.720041 0.064685 Sn\n0.198865 0.378870 0.583305 Sn\n0.880878 0.492497 0.880360 Sn\n0.031171 0.250965 0.391562 Sn\n0.235639 0.054692 0.604061 Sn\n0.211517 0.263245 0.988996 Sn\n0.988957 0.664194 0.334760 Sn\n0.659668 0.817973 0.625251 Sn\n0.261805 0.812451 0.786758 Sn\n0.025293 0.349271 0.527154 O\n0.980271 0.129659 0.535433 O\n0.597483 0.684183 0.956135 O\n0.488170 0.051215 0.039247 O\n0.810173 0.486441 0.716070 O\n0.801585 0.725563 0.584180 O\n0.533351 0.494482 0.125617 O\n0.374358 0.599294 0.975998 O\n0.126638 0.734877 0.451118 O\n0.262524 0.082988 0.049117 O\n0.307688 0.217786 0.865152 O\n0.085738 0.751115 0.199463 O\n0.740468 0.940708 0.136502 O\n0.531781 0.193835 0.791393 O\n0.614781 0.128453 0.276982 O\n0.259253 0.692540 0.682089 O\n0.294116 0.928326 0.505633 O\n0.877090 0.802656 0.282347 O\n0.120103 0.402737 0.314507 O\n0.745654 0.445703 0.976981 O\n0.258164 0.430244 0.932898 O\n0.683638 0.661785 0.175212 O\n0.631071 0.139406 0.557481 O\n0.559678 0.919511 0.466516 O\n0.426886 0.811631 0.800895 O\n0.944729 0.581660 0.169507 O\n0.507440 0.377318 0.903123 O\n0.789692 0.910271 0.685811 O\n0.290727 0.856899 0.300215 O\n0.941802 0.083611 0.933612 O\n0.577059 0.416188 0.596760 O\n0.359575 0.287696 0.098351 O\n0.196047 0.161159 0.450216 O\n0.378902 0.148423 0.603210 O\n0.762725 0.491397 0.493346 O\n0.201085 0.525348 0.139755 O\n0.865588 0.051346 0.319157 O\n0.695013 0.190333 0.044511 O\n0.933212 0.330127 0.878666 O\n0.981795 0.952321 0.781395 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 5.008689390998061,
"density_atomic": 0.04478237234540827,
"volume": 1786.4171952070053,
"volume_molar": 13.44756975702623,
"formula_full": "Sn40 O40",
"formula_reduced": "SnO",
"formula_anonymous": "AB",
"energy": -470.67792549,
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"energy_uncorrected": -443.19792549,
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"updated_at": "2021-11-28T01:36:00.719000Z",
"spacegroup": 1
},
{
"id": "mp-1205671",
"created_at": "2022-09-04T14:43:36.466745Z",
"structure_string": "Ba4 Ta2 Fe2 O12\n1.0\n-4.101078 -4.101078 0.000000\n0.000000 4.101078 -4.101078\n4.101078 -4.101078 -8.202156\nBa Ta Fe O\n4 2 2 12\ndirect\n0.875000 0.750000 0.375000 Ba\n0.375000 0.750000 0.875000 Ba\n0.625000 0.250000 0.125000 Ba\n0.125000 0.250000 0.625000 Ba\n0.250000 0.500000 0.250000 Ta\n0.750000 0.500000 0.750000 Ta\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.619041 0.746027 0.126986 O\n0.119041 0.746027 0.626986 O\n0.880959 0.253973 0.373014 O\n0.380959 0.253973 0.873014 O\n0.373014 0.253973 0.373014 O\n0.873014 0.253973 0.873014 O\n0.126986 0.746027 0.126986 O\n0.626986 0.746027 0.626986 O\n0.373014 0.746027 0.373014 O\n0.873014 0.746027 0.873014 O\n0.126986 0.253973 0.126986 O\n0.626986 0.253973 0.626986 O\n",
"nsites": 20,
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"elements": [
"Ba",
"Ta",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Ta",
"density": 7.311908458103994,
"density_atomic": 0.0724896355329732,
"volume": 275.90151133954373,
"volume_molar": 8.307588685917343,
"formula_full": "Ba4 Ta2 Fe2 O12",
"formula_reduced": "Ba2TaFeO6",
"formula_anonymous": "ABC2D6",
"energy": -167.84960705,
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"updated_at": "2021-11-28T01:36:13.650000Z",
"spacegroup": 225
},
{
"id": "mp-1245286",
"created_at": "2022-09-04T14:43:19.877748Z",
"structure_string": "Ga50 N50\n1.0\n11.814066 0.322569 -0.411148\n0.339472 11.442364 -0.326478\n-0.392216 -0.303530 11.128427\nGa N\n50 50\ndirect\n0.052449 0.701779 0.651115 Ga\n0.201906 0.602986 0.490344 Ga\n0.182407 0.556391 0.009579 Ga\n0.830951 0.824338 0.579027 Ga\n0.165692 0.272355 0.114555 Ga\n0.514718 0.532008 0.747482 Ga\n0.493994 0.825119 0.795562 Ga\n0.090096 0.008298 0.095283 Ga\n0.503565 0.414739 0.460592 Ga\n0.855156 0.078698 0.198922 Ga\n0.301861 0.868810 0.916019 Ga\n0.193856 0.079069 0.815119 Ga\n0.708460 0.381974 0.916814 Ga\n0.868330 0.294414 0.072646 Ga\n0.974785 0.238678 0.354405 Ga\n0.414501 0.064714 0.793125 Ga\n0.904114 0.036370 0.532683 Ga\n0.586169 0.648399 0.007007 Ga\n0.635744 0.577737 0.398780 Ga\n0.655139 0.010706 0.646102 Ga\n0.036034 0.731877 0.375009 Ga\n0.607416 0.730934 0.235861 Ga\n0.888454 0.344718 0.623142 Ga\n0.590913 0.192478 0.909118 Ga\n0.362585 0.268882 0.320577 Ga\n0.606651 0.928825 0.042430 Ga\n0.054042 0.498386 0.152858 Ga\n0.925525 0.531644 0.425181 Ga\n0.432779 0.922670 0.525235 Ga\n0.863097 0.011206 0.951781 Ga\n0.940560 0.547829 0.858699 Ga\n0.646797 0.270616 0.624507 Ga\n0.980864 0.155073 0.735514 Ga\n0.147383 0.396933 0.505740 Ga\n0.366360 0.096116 0.059008 Ga\n0.082089 0.316413 0.883926 Ga\n0.604038 0.754776 0.553461 Ga\n0.718787 0.687397 0.829046 Ga\n0.202606 0.504093 0.733613 Ga\n0.828422 0.557663 0.184410 Ga\n0.759861 0.343115 0.359232 Ga\n0.844681 0.793591 0.061678 Ga\n0.928998 0.837543 0.812210 Ga\n0.417029 0.269878 0.684775 Ga\n0.431038 0.951916 0.278501 Ga\n0.362162 0.640099 0.952742 Ga\n0.064924 0.946820 0.311336 Ga\n0.350527 0.671090 0.635154 Ga\n0.763949 0.594196 0.627348 Ga\n0.112143 0.766021 0.965057 Ga\n0.268808 0.096198 0.521361 N\n0.502991 0.062830 0.970093 N\n0.584424 0.120548 0.267993 N\n0.947571 0.068370 0.367704 N\n0.934272 0.690984 0.512022 N\n0.098788 0.485964 0.864567 N\n0.776627 0.504314 0.337524 N\n0.347935 0.577878 0.779654 N\n0.753093 0.864051 0.364335 N\n0.258615 0.756529 0.169397 N\n0.509585 0.692103 0.675094 N\n0.611161 0.794731 0.917665 N\n0.120355 0.262082 0.287857 N\n0.881353 0.499417 0.700917 N\n0.197815 0.258412 0.771141 N\n0.199953 0.298993 0.366460 N\n0.751285 0.117501 0.862337 N\n0.519845 0.073143 0.506573 N\n0.984549 0.371429 0.480292 N\n0.731859 0.684272 0.125362 N\n0.361082 0.542240 0.288154 N\n0.349411 0.497100 0.196131 N\n0.410009 0.376262 0.913907 N\n0.005615 0.862247 0.048401 N\n0.168890 0.865049 0.585575 N\n0.228532 0.015454 0.994306 N\n0.639811 0.536274 0.873622 N\n0.535068 0.869925 0.177992 N\n0.265809 0.854592 0.605523 N\n0.541268 0.319676 0.131537 N\n0.506440 0.172542 0.545210 N\n0.950375 0.120962 0.064591 N\n0.824871 0.851323 0.301697 N\n0.834846 0.251327 0.238027 N\n0.320360 0.220942 0.158928 N\n0.982538 0.593081 0.277450 N\n0.290162 0.771816 0.266401 N\n0.595107 0.388588 0.178374 N\n0.766825 0.283174 0.762748 N\n0.912050 0.456564 0.064358 N\n0.770764 0.958358 0.081170 N\n0.174130 0.092029 0.525135 N\n0.667658 0.101467 0.320256 N\n0.251882 0.323094 0.706303 N\n0.755111 0.296572 0.514649 N\n0.513657 0.394746 0.637213 N\n0.503617 0.955318 0.696018 N\n0.811189 0.185156 0.807025 N\n0.332277 0.364638 0.964082 N\n0.871377 0.702919 0.904886 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.633932193676342,
"density_atomic": 0.0666578094804073,
"volume": 1500.199313171144,
"volume_molar": 9.034411431971952,
"formula_full": "Ga50 N50",
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"energy": -565.44742303,
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"updated_at": "2021-11-28T01:36:10.937000Z",
"spacegroup": 1
},
{
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