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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=22",
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"results": [
{
"id": "mp-531053",
"created_at": "2022-09-04T14:47:27.229073Z",
"structure_string": "Zn12 Fe24 O48\n1.0\n5.204253 -0.005623 3.010251\n1.728579 4.910004 3.011746\n-0.046719 -0.022019 36.204257\nZn Fe O\n12 24 48\ndirect\n0.122939 0.122932 0.021692 Zn\n0.500081 0.500165 0.000148 Zn\n0.122799 0.122916 0.189902 Zn\n0.500525 0.500448 0.167447 Zn\n0.127355 0.127402 0.354060 Zn\n0.125811 0.125825 0.520425 Zn\n0.873762 0.873666 0.311180 Zn\n0.125432 0.125437 0.687262 Zn\n0.875243 0.875211 0.479130 Zn\n0.125746 0.125753 0.853755 Zn\n0.875218 0.875200 0.645786 Zn\n0.874458 0.874440 0.812772 Zn\n0.005052 0.496392 0.083353 Fe\n0.496769 0.496796 0.083676 Fe\n0.002161 0.497943 0.250019 Fe\n0.497909 0.002197 0.250034 Fe\n0.496398 0.005006 0.083357 Fe\n0.502242 0.502214 0.249976 Fe\n0.497473 0.497580 0.333644 Fe\n0.876258 0.876300 0.144224 Fe\n0.501429 0.501380 0.416072 Fe\n0.499814 0.499807 0.499756 Fe\n0.501562 0.999495 0.416501 Fe\n0.999476 0.501525 0.416509 Fe\n0.500394 0.500385 0.583104 Fe\n0.500337 0.500326 0.666484 Fe\n0.500445 0.000449 0.583191 Fe\n0.000448 0.500439 0.583192 Fe\n0.500370 0.500375 0.749782 Fe\n0.501317 0.501302 0.832676 Fe\n0.500386 0.000527 0.749777 Fe\n0.499525 0.499511 0.916200 Fe\n0.000542 0.500388 0.749774 Fe\n0.499402 0.003572 0.916214 Fe\n0.003601 0.499405 0.916205 Fe\n0.876290 0.876321 0.978476 Fe\n0.252215 0.251668 0.046217 O\n0.252058 0.718539 0.046133 O\n0.254445 0.254594 0.122527 O\n0.718394 0.251726 0.046177 O\n0.252820 0.253529 0.213798 O\n0.268333 0.745941 0.123692 O\n0.742939 0.742786 0.044950 O\n0.262844 0.714175 0.214553 O\n0.745483 0.268205 0.123759 O\n0.271367 0.271024 0.286409 O\n0.714132 0.263116 0.214531 O\n0.745686 0.746351 0.122540 O\n0.260635 0.260536 0.376704 O\n0.285646 0.730781 0.288080 O\n0.734133 0.734479 0.210974 O\n0.731015 0.285626 0.288069 O\n0.261297 0.261385 0.453034 O\n0.260601 0.723664 0.375395 O\n0.723675 0.260466 0.375421 O\n0.738573 0.737808 0.288415 O\n0.259783 0.259664 0.543325 O\n0.279951 0.741396 0.456373 O\n0.742658 0.742571 0.378593 O\n0.741439 0.279901 0.456364 O\n0.259938 0.720795 0.543295 O\n0.259989 0.260124 0.619898 O\n0.741135 0.741151 0.456263 O\n0.720794 0.259933 0.543278 O\n0.280223 0.739922 0.623338 O\n0.260419 0.260325 0.709768 O\n0.740565 0.740424 0.546504 O\n0.260039 0.260153 0.786463 O\n0.739937 0.280207 0.623316 O\n0.260984 0.720595 0.709666 O\n0.720586 0.261006 0.709645 O\n0.740326 0.740438 0.623222 O\n0.260688 0.260644 0.876267 O\n0.279304 0.740935 0.789713 O\n0.740697 0.740569 0.713155 O\n0.740928 0.279307 0.789699 O\n0.258511 0.258586 0.953954 O\n0.261193 0.720936 0.876159 O\n0.741485 0.741577 0.789592 O\n0.720928 0.261202 0.876151 O\n0.267218 0.747538 0.956196 O\n0.747536 0.267239 0.956193 O\n0.739359 0.739299 0.880439 O\n0.748124 0.748134 0.956040 O\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.185898283450732,
"density_atomic": 0.09067380713184103,
"volume": 926.3976296689823,
"volume_molar": 6.641543959044005,
"formula_full": "Zn12 Fe24 O48",
"formula_reduced": "Zn(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -599.57938349,
"energy_per_atom": -7.137849803452381,
"energy_above_hull": null,
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"energy_uncorrected": -512.45938349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 119.8853809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.903000Z",
"spacegroup": 8
},
{
"id": "mp-698762",
"created_at": "2022-09-04T14:43:14.709891Z",
"structure_string": "Ta12 Mn24 O54\n1.0\n4.813064 0.128429 3.561209\n1.823609 4.481995 3.580039\n1.791428 1.472519 54.922546\nTa Mn O\n12 24 54\ndirect\n0.034715 0.029133 0.002166 Ta\n0.020366 0.028645 0.114408 Ta\n0.225763 0.232574 0.134410 Ta\n0.222486 0.216388 0.246908 Ta\n0.217821 0.246047 0.356647 Ta\n0.223410 0.205245 0.470755 Ta\n0.517003 0.533737 0.392084 Ta\n0.222110 0.216192 0.580342 Ta\n0.219905 0.246430 0.690075 Ta\n0.222048 0.203401 0.804393 Ta\n0.514181 0.532592 0.725622 Ta\n0.221891 0.209616 0.914144 Ta\n0.244758 0.231140 0.022891 Mn\n0.561062 0.538672 0.049026 Mn\n0.023120 0.008165 0.224879 Mn\n0.740410 0.739085 0.078829 Mn\n0.509910 0.504992 0.169780 Mn\n0.019390 0.031405 0.332994 Mn\n0.717629 0.706388 0.195876 Mn\n0.531904 0.515638 0.277664 Mn\n0.016242 0.997105 0.449752 Mn\n0.741439 0.722112 0.300275 Mn\n0.023002 0.015775 0.557838 Mn\n0.724734 0.732163 0.416142 Mn\n0.507706 0.505435 0.503588 Mn\n0.024764 0.030959 0.666072 Mn\n0.718629 0.719459 0.527249 Mn\n0.533357 0.517010 0.609768 Mn\n0.014295 0.994070 0.783547 Mn\n0.747047 0.718768 0.632478 Mn\n0.019820 0.016963 0.891497 Mn\n0.724286 0.735326 0.748883 Mn\n0.511474 0.504323 0.836674 Mn\n0.718213 0.714338 0.861718 Mn\n0.501140 0.521887 0.947059 Mn\n0.726388 0.745585 0.967072 Mn\n0.135104 0.399391 0.094984 O\n0.400760 0.855480 0.011800 O\n0.837443 0.123958 0.045422 O\n0.263554 0.637460 0.108699 O\n0.668053 0.907962 0.034083 O\n0.109037 0.408412 0.206453 O\n0.935472 0.285933 0.075877 O\n0.402140 0.847025 0.125376 O\n0.847865 0.118747 0.154697 O\n0.342071 0.578906 0.215393 O\n0.612961 0.984201 0.141878 O\n0.133387 0.396574 0.318321 O\n0.964225 0.308693 0.174357 O\n0.416232 0.850188 0.235569 O\n0.851889 0.102059 0.271291 O\n0.337321 0.582906 0.330493 O\n0.575364 0.958359 0.259450 O\n0.157745 0.430463 0.421750 O\n0.962426 0.337420 0.286269 O\n0.386466 0.824115 0.354476 O\n0.793861 0.180518 0.379938 O\n0.355094 0.575141 0.435589 O\n0.574715 0.943415 0.371766 O\n0.103425 0.419150 0.539933 O\n0.931657 0.360191 0.396318 O\n0.413952 0.847810 0.457025 O\n0.855247 0.132263 0.487703 O\n0.338512 0.574149 0.550402 O\n0.583771 0.950935 0.480505 O\n0.139337 0.396566 0.651451 O\n0.977951 0.326598 0.507041 O\n0.419175 0.859084 0.567564 O\n0.853025 0.099891 0.604494 O\n0.339129 0.581527 0.664496 O\n0.576654 0.952359 0.592974 O\n0.155127 0.430568 0.755274 O\n0.959799 0.331649 0.620301 O\n0.384711 0.824433 0.688148 O\n0.793935 0.183060 0.713000 O\n0.354082 0.572761 0.769203 O\n0.574691 0.942014 0.705383 O\n0.115156 0.418260 0.872214 O\n0.929931 0.361527 0.729617 O\n0.417370 0.849639 0.789885 O\n0.856558 0.127434 0.821262 O\n0.325838 0.570171 0.886374 O\n0.577803 0.947585 0.814951 O\n0.102421 0.415741 0.981978 O\n0.971363 0.328698 0.840554 O\n0.415738 0.860396 0.901537 O\n0.841380 0.135100 0.935807 O\n0.287882 0.657054 0.993809 O\n0.588371 0.945014 0.925653 O\n0.967507 0.271385 0.959607 O\n",
"nsites": 90,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 6.407343391617235,
"density_atomic": 0.07976225556313703,
"volume": 1128.3532463391678,
"volume_molar": 7.550113418286025,
"formula_full": "Ta12 Mn24 O54",
"formula_reduced": "Ta2Mn4O9",
"formula_anonymous": "A2B4C9",
"energy": -852.82449923,
"energy_per_atom": -9.475827769222223,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:11.263000Z",
"spacegroup": 1
},
{
"id": "mp-570414",
"created_at": "2022-09-04T14:46:00.940492Z",
"structure_string": "Tm8 Fe56 C4\n1.0\n8.700821 0.000000 0.000000\n0.000000 8.700821 0.000000\n0.000000 0.000000 11.641709\nTm Fe C\n8 56 4\ndirect\n0.643347 0.643347 0.500000 Tm\n0.758957 0.241043 0.500000 Tm\n0.856653 0.143347 0.000000 Tm\n0.258957 0.258957 0.000000 Tm\n0.356653 0.356653 0.500000 Tm\n0.143347 0.856653 0.000000 Tm\n0.241043 0.758957 0.500000 Tm\n0.741043 0.741043 0.000000 Tm\n0.683964 0.683964 0.754683 Fe\n0.725153 0.935619 0.620097 Fe\n0.642535 0.964073 0.825253 Fe\n0.774847 0.435619 0.120097 Fe\n0.857465 0.464073 0.674747 Fe\n0.500000 0.000000 0.000000 Fe\n0.903094 0.903094 0.797557 Fe\n0.435619 0.774847 0.879903 Fe\n0.596906 0.403094 0.297557 Fe\n0.500000 0.500000 0.892031 Fe\n0.464073 0.857465 0.674747 Fe\n0.935619 0.725153 0.379903 Fe\n0.403094 0.596906 0.702443 Fe\n0.816036 0.183964 0.254683 Fe\n0.535927 0.142535 0.325253 Fe\n0.903094 0.903094 0.202443 Fe\n0.357465 0.035927 0.825253 Fe\n0.857465 0.464073 0.325253 Fe\n0.035927 0.357465 0.825253 Fe\n0.935619 0.725153 0.620097 Fe\n0.435619 0.774847 0.120097 Fe\n0.316036 0.316036 0.245317 Fe\n0.316036 0.316036 0.754683 Fe\n0.964073 0.642535 0.174747 Fe\n0.964073 0.642535 0.825253 Fe\n0.816036 0.183964 0.745317 Fe\n0.535927 0.142535 0.674747 Fe\n0.274847 0.064381 0.379903 Fe\n0.064381 0.274847 0.620097 Fe\n0.225153 0.564381 0.120097 Fe\n0.142535 0.535927 0.674747 Fe\n0.564381 0.225153 0.120097 Fe\n0.274847 0.064381 0.620097 Fe\n0.183964 0.816036 0.254683 Fe\n0.403094 0.596906 0.297557 Fe\n0.683964 0.683964 0.245317 Fe\n0.725153 0.935619 0.379903 Fe\n0.000000 0.000000 0.392031 Fe\n0.064381 0.274847 0.379903 Fe\n0.500000 0.500000 0.107969 Fe\n0.035927 0.357465 0.174747 Fe\n0.596906 0.403094 0.702443 Fe\n0.357465 0.035927 0.174747 Fe\n0.096906 0.096906 0.202443 Fe\n0.183964 0.816036 0.745317 Fe\n0.464073 0.857465 0.325253 Fe\n0.642535 0.964073 0.174747 Fe\n0.000000 0.000000 0.607969 Fe\n0.096906 0.096906 0.797557 Fe\n0.225153 0.564381 0.879903 Fe\n0.774847 0.435619 0.879903 Fe\n0.564381 0.225153 0.879903 Fe\n0.000000 0.500000 0.000000 Fe\n0.142535 0.535927 0.325253 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.871883 0.871883 0.500000 C\n0.128117 0.128117 0.500000 C\n0.371883 0.628117 0.000000 C\n0.628117 0.371883 0.000000 C\n",
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"elements": [
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],
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"density": 8.529168552467159,
"density_atomic": 0.07715635545201222,
"volume": 881.3272685267377,
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"formula_full": "Tm8 Fe56 C4",
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"energy": -552.80661433,
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"updated_at": "2021-11-28T01:37:19.097000Z",
"spacegroup": 136
},
{
"id": "mp-567900",
"created_at": "2022-09-04T14:39:36.006296Z",
"structure_string": "Lu8 Fe56 C4\n1.0\n8.688759 0.000000 0.000000\n0.000000 8.688759 0.000000\n0.000000 0.000000 11.600453\nLu Fe C\n8 56 4\ndirect\n0.356548 0.356548 0.500000 Lu\n0.856548 0.143452 0.000000 Lu\n0.143452 0.856548 0.000000 Lu\n0.741787 0.741787 0.000000 Lu\n0.241787 0.758213 0.500000 Lu\n0.758213 0.241787 0.500000 Lu\n0.643452 0.643452 0.500000 Lu\n0.258213 0.258213 0.000000 Lu\n0.096776 0.096776 0.798606 Fe\n0.642816 0.963956 0.825582 Fe\n0.684187 0.684187 0.754592 Fe\n0.564093 0.225176 0.119966 Fe\n0.935907 0.725176 0.380034 Fe\n0.142816 0.536044 0.674418 Fe\n0.642816 0.963956 0.174418 Fe\n0.774824 0.435907 0.880034 Fe\n0.536044 0.142816 0.674418 Fe\n0.857184 0.463956 0.674418 Fe\n0.684187 0.684187 0.245408 Fe\n0.000000 0.000000 0.608398 Fe\n0.403224 0.596776 0.298606 Fe\n0.225176 0.564093 0.880034 Fe\n0.963956 0.642816 0.174418 Fe\n0.357184 0.036044 0.825582 Fe\n0.725176 0.935907 0.380034 Fe\n0.064093 0.274824 0.619966 Fe\n0.815813 0.184187 0.254592 Fe\n0.274824 0.064093 0.380034 Fe\n0.403224 0.596776 0.701394 Fe\n0.225176 0.564093 0.119966 Fe\n0.903224 0.903224 0.798606 Fe\n0.463956 0.857184 0.325582 Fe\n0.935907 0.725176 0.619966 Fe\n0.142816 0.536044 0.325582 Fe\n0.357184 0.036044 0.174418 Fe\n0.725176 0.935907 0.619966 Fe\n0.564093 0.225176 0.880034 Fe\n0.903224 0.903224 0.201394 Fe\n0.184187 0.815813 0.254592 Fe\n0.536044 0.142816 0.325582 Fe\n0.036044 0.357184 0.174418 Fe\n0.274824 0.064093 0.619966 Fe\n0.596776 0.403224 0.701394 Fe\n0.500000 0.000000 0.000000 Fe\n0.064093 0.274824 0.380034 Fe\n0.315813 0.315813 0.245408 Fe\n0.000000 0.000000 0.391602 Fe\n0.184187 0.815813 0.745408 Fe\n0.500000 0.500000 0.891602 Fe\n0.435907 0.774824 0.119966 Fe\n0.096776 0.096776 0.201394 Fe\n0.463956 0.857184 0.674418 Fe\n0.815813 0.184187 0.745408 Fe\n0.963956 0.642816 0.825582 Fe\n0.315813 0.315813 0.754592 Fe\n0.857184 0.463956 0.325582 Fe\n0.774824 0.435907 0.119966 Fe\n0.500000 0.000000 0.500000 Fe\n0.036044 0.357184 0.825582 Fe\n0.596776 0.403224 0.298606 Fe\n0.435907 0.774824 0.880034 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.108398 Fe\n0.000000 0.500000 0.500000 Fe\n0.128045 0.128045 0.500000 C\n0.871955 0.871955 0.500000 C\n0.371955 0.628045 0.000000 C\n0.628045 0.371955 0.000000 C\n",
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"density": 8.67479305390144,
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"volume": 875.7707813603704,
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"formula_full": "Lu8 Fe56 C4",
"formula_reduced": "Lu2Fe14C",
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"updated_at": "2021-11-28T01:34:25.889000Z",
"spacegroup": 136
},
{
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{
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{
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}
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}