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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10129",
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"results": [
{
"id": "mp-1174632",
"created_at": "2022-09-04T14:46:55.616198Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.115870 0.000000 0.000000\n2.366531 7.300416 0.000000\n1.647329 3.406567 6.744908\nLi Mn Co O\n8 2 4 14\ndirect\n0.497041 0.850853 0.227929 Li\n0.499227 0.427711 0.360950 Li\n0.497909 0.585705 0.630276 Li\n0.496061 0.145102 0.782515 Li\n0.500585 0.286795 0.069840 Li\n0.513356 0.988891 0.505061 Li\n0.498331 0.713604 0.925956 Li\n0.997810 0.715890 0.429291 Li\n0.000382 0.996568 0.002418 Mn\n0.998518 0.573527 0.143989 Mn\n0.004455 0.132409 0.288907 Co\n0.992712 0.292704 0.568723 Co\n0.002413 0.851312 0.706146 Co\n0.003488 0.430285 0.851065 Co\n0.230590 0.134757 0.034766 O\n0.219575 0.725211 0.164939 O\n0.244111 0.872687 0.465383 O\n0.225697 0.418647 0.620904 O\n0.228882 0.572696 0.903940 O\n0.221904 0.305749 0.308947 O\n0.217367 0.998854 0.762776 O\n0.767646 0.564247 0.379205 O\n0.770299 0.140709 0.536460 O\n0.772076 0.266333 0.831666 O\n0.777310 0.846257 0.978741 O\n0.774552 0.013511 0.233434 O\n0.766681 0.715057 0.687283 O\n0.781021 0.433932 0.098490 O\n",
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"elements": [
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"Co",
"O"
],
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"volume": 251.90868370286384,
"volume_molar": 5.417962685446301,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.12433146,
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"updated_at": "2021-11-28T01:37:52.150000Z",
"spacegroup": 1
},
{
"id": "mp-744554",
"created_at": "2022-09-04T14:46:55.644614Z",
"structure_string": "K4 Fe2 P4 H6 O16 F4\n1.0\n7.199479 0.000000 0.000000\n0.433919 8.490863 0.000000\n0.383403 1.480565 8.482215\nK Fe P H O F\n4 2 4 6 16 4\ndirect\n0.168692 0.677827 0.585388 K\n0.693017 0.283634 0.912641 K\n0.417138 0.651730 0.074904 K\n0.926028 0.348803 0.539689 K\n0.271292 0.161800 0.278508 Fe\n0.961515 0.750891 0.094344 Fe\n0.555789 0.841867 0.419209 P\n0.983042 0.947322 0.763059 P\n0.816680 0.110611 0.257129 P\n0.405226 0.001665 0.700541 P\n0.232296 0.347003 0.977325 H\n0.552526 0.573066 0.528512 H\n0.101623 0.651595 0.980568 H\n0.417078 0.168783 0.666887 H\n0.752695 0.543804 0.209709 H\n0.022233 0.539931 0.906544 H\n0.114966 0.429810 0.231664 O\n0.619109 0.578812 0.628952 O\n0.965438 0.950451 0.949333 O\n0.143207 0.073586 0.687143 O\n0.220802 0.391905 0.862231 O\n0.356154 0.856018 0.819321 O\n0.227006 0.376570 0.356456 O\n0.006007 0.101550 0.331657 O\n0.793020 0.080618 0.702203 O\n0.687202 0.743933 0.571768 O\n0.735731 0.929676 0.345193 O\n0.764507 0.609253 0.105154 O\n0.421815 0.958734 0.517194 O\n0.628604 0.975714 0.772180 O\n0.475548 0.694219 0.376410 O\n0.024249 0.447537 0.845124 O\n0.427397 0.960178 0.247030 F\n0.061895 0.749118 0.289177 F\n0.685891 0.219585 0.370766 F\n0.416783 0.272399 0.096085 F\n",
"nsites": 36,
"nelements": 6,
"elements": [
"K",
"Fe",
"P",
"H",
"O",
"F"
],
"chemical_system": "F-Fe-H-K-O-P",
"density": 2.3378447557184656,
"density_atomic": 0.06942890590969246,
"volume": 518.5160205005377,
"volume_molar": 8.673823504914678,
"formula_full": "K4 Fe2 P4 H6 O16 F4",
"formula_reduced": "K2FeP2H3(O4F)2",
"formula_anonymous": "AB2C2D2E3F8",
"energy": -207.81319427,
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"energy_above_hull": null,
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"energy_uncorrected": -190.46119427,
"band_gap": 2.3137,
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"is_magnetic": true,
"total_magnetization": 8.0001248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.894000Z",
"spacegroup": 1
},
{
"id": "mp-1173822",
"created_at": "2022-09-04T14:46:55.605405Z",
"structure_string": "Na6 Mg8 Cr2 Si16 O44 F4\n1.0\n10.532215 0.957250 1.758937\n0.704736 8.582749 4.783235\n-0.570596 -0.020854 10.249143\nNa Mg Cr Si O F\n6 8 2 16 44 4\ndirect\n0.000067 0.499811 0.999487 Na\n0.252243 0.276138 0.450808 Na\n0.247757 0.723862 0.549192 Na\n0.499933 0.500189 0.000513 Na\n0.747846 0.273406 0.450547 Na\n0.752154 0.726594 0.549453 Na\n0.999971 0.999406 0.001124 Mg\n0.251987 0.089252 0.820740 Mg\n0.248013 0.910748 0.179260 Mg\n0.500029 0.000594 0.998876 Mg\n0.499934 0.180723 0.638995 Mg\n0.747826 0.090474 0.820638 Mg\n0.752174 0.909526 0.179362 Mg\n0.000066 0.819277 0.361005 Mg\n0.999949 0.178387 0.643639 Cr\n0.500051 0.821613 0.356361 Cr\n0.101562 0.117938 0.341774 Si\n0.102174 0.459525 0.657176 Si\n0.143831 0.634004 0.169345 Si\n0.143541 0.802682 0.828125 Si\n0.356459 0.197318 0.171875 Si\n0.356169 0.365996 0.830655 Si\n0.397826 0.540475 0.342824 Si\n0.398438 0.882062 0.658226 Si\n0.602409 0.115878 0.343777 Si\n0.601210 0.459964 0.658620 Si\n0.643866 0.631020 0.171061 Si\n0.643757 0.804127 0.829817 Si\n0.856243 0.195873 0.170183 Si\n0.856134 0.368980 0.828939 Si\n0.898790 0.540036 0.341380 Si\n0.897591 0.884122 0.656223 Si\n0.035719 0.524217 0.249105 O\n0.098016 0.116461 0.500215 O\n0.034613 0.775113 0.748498 O\n0.101215 0.608631 0.499010 O\n0.131991 0.283754 0.665952 O\n0.106823 0.804032 0.166561 O\n0.148512 0.655917 0.998630 O\n0.214995 0.221936 0.244097 O\n0.136748 0.952468 0.335516 O\n0.104119 0.974720 0.825834 O\n0.213940 0.460435 0.759578 O\n0.286060 0.539565 0.240422 O\n0.351488 0.344083 0.001370 O\n0.395881 0.025280 0.174166 O\n0.363252 0.047532 0.664484 O\n0.285005 0.778064 0.755903 O\n0.393177 0.195968 0.833439 O\n0.368009 0.716246 0.334048 O\n0.398785 0.391369 0.500990 O\n0.465387 0.224887 0.251502 O\n0.401984 0.883539 0.499785 O\n0.464281 0.475783 0.750895 O\n0.534584 0.524322 0.250037 O\n0.601797 0.107177 0.501870 O\n0.535542 0.774115 0.750038 O\n0.597422 0.616551 0.500245 O\n0.636648 0.288387 0.664631 O\n0.604466 0.800421 0.173909 O\n0.649035 0.655079 0.000378 O\n0.714057 0.219121 0.241359 O\n0.632078 0.949003 0.334663 O\n0.606704 0.971073 0.833280 O\n0.714984 0.466311 0.756003 O\n0.785016 0.533689 0.243997 O\n0.850965 0.344921 0.999622 O\n0.893296 0.028927 0.166720 O\n0.867922 0.050997 0.665337 O\n0.785943 0.780879 0.758641 O\n0.895534 0.199579 0.826091 O\n0.863352 0.711613 0.335369 O\n0.902578 0.383449 0.499755 O\n0.964458 0.225885 0.249962 O\n0.898203 0.892823 0.498130 O\n0.965416 0.475678 0.749963 O\n0.147153 0.102557 0.999191 F\n0.352847 0.897443 0.000809 F\n0.647130 0.101519 0.001493 F\n0.852870 0.898481 0.998507 F\n",
"nsites": 80,
"nelements": 6,
"elements": [
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"Mg",
"Cr",
"Si",
"O",
"F"
],
"chemical_system": "Cr-F-Mg-Na-O-Si",
"density": 2.985116545100285,
"density_atomic": 0.08633836568252319,
"volume": 926.5869161129348,
"volume_molar": 6.975046044008007,
"formula_full": "Na6 Mg8 Cr2 Si16 O44 F4",
"formula_reduced": "Na3Mg4CrSi8(O11F)2",
"formula_anonymous": "AB2C3D4E8F22",
"energy": -603.5534270999999,
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"updated_at": "2021-11-28T01:37:51.926000Z",
"spacegroup": 15
},
{
"id": "mp-1372745",
"created_at": "2022-09-04T14:46:55.628181Z",
"structure_string": "Mg4 Ta2 W2 O12\n1.0\n7.754898 0.000000 0.000000\n0.000000 5.366435 0.000000\n0.000000 0.147585 5.459261\nMg Ta W O\n4 2 2 12\ndirect\n0.750000 0.007420 0.033453 Mg\n0.750000 0.496482 0.545473 Mg\n0.250000 0.503518 0.454527 Mg\n0.250000 0.992580 0.966547 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.430156 0.155230 0.185133 O\n0.568548 0.688843 0.335869 O\n0.569844 0.844770 0.814867 O\n0.068548 0.311157 0.664131 O\n0.250000 0.871730 0.574416 O\n0.431452 0.311157 0.664131 O\n0.931452 0.688843 0.335869 O\n0.069844 0.155230 0.185133 O\n0.750000 0.361020 0.901892 O\n0.930156 0.844770 0.814867 O\n0.250000 0.638980 0.098108 O\n0.750000 0.128270 0.425584 O\n",
"nsites": 20,
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"elements": [
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"Ta",
"W",
"O"
],
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"density": 7.446245247175168,
"density_atomic": 0.088030703892997,
"volume": 227.19345768619982,
"volume_molar": 6.840954909686996,
"formula_full": "Mg4 Ta2 W2 O12",
"formula_reduced": "Mg2TaWO6",
"formula_anonymous": "ABC2D6",
"energy": -170.23093028,
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"updated_at": "2021-11-28T01:37:46.723000Z",
"spacegroup": 11
},
{
"id": "mp-1044943",
"created_at": "2022-09-04T14:46:55.629444Z",
"structure_string": "Ti12 Zn6 O24\n1.0\n2.992590 -5.183317 0.000000\n2.992590 5.183317 0.000000\n0.000000 0.000000 15.097393\nTi Zn O\n12 6 24\ndirect\n0.349884 0.174942 0.165307 Ti\n0.825058 0.650116 0.165307 Ti\n0.013962 0.506981 0.500668 Ti\n0.825058 0.174942 0.165307 Ti\n0.493019 0.986038 0.500668 Ti\n0.333333 0.666667 0.677173 Ti\n0.333333 0.666667 0.289486 Ti\n0.641591 0.820795 0.828736 Ti\n0.493019 0.506981 0.500668 Ti\n0.179205 0.358409 0.828736 Ti\n0.179205 0.820795 0.828736 Ti\n0.666667 0.333333 0.948946 Ti\n0.333333 0.666667 0.045027 Zn\n0.000000 0.000000 0.372824 Zn\n0.666667 0.333333 0.339795 Zn\n0.666667 0.333333 0.695499 Zn\n0.000000 0.000000 0.001844 Zn\n0.000000 0.000000 0.630703 Zn\n0.687633 0.843816 0.092850 O\n0.000000 0.000000 0.240461 O\n0.156184 0.312367 0.092850 O\n0.156184 0.843816 0.092850 O\n0.352151 0.176076 0.427133 O\n0.504821 0.495179 0.248965 O\n0.666667 0.333333 0.568276 O\n0.504821 0.009642 0.248965 O\n0.666667 0.333333 0.072991 O\n0.823924 0.647849 0.427133 O\n0.823924 0.176076 0.427133 O\n0.990358 0.495179 0.248965 O\n0.006791 0.503395 0.749936 O\n0.180833 0.819167 0.584088 O\n0.180833 0.361666 0.584088 O\n0.333333 0.666667 0.913811 O\n0.333333 0.666667 0.414849 O\n0.496605 0.993209 0.749936 O\n0.496605 0.503395 0.749936 O\n0.638334 0.819167 0.584088 O\n0.839622 0.160378 0.910603 O\n0.839622 0.679244 0.910603 O\n0.000000 0.000000 0.763253 O\n0.320756 0.160378 0.910603 O\n",
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"volume": 468.3677099718799,
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"formula_full": "Ti12 Zn6 O24",
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"energy": -340.00711085,
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},
{
"id": "mp-985440",
"created_at": "2022-09-04T14:46:57.972538Z",
"structure_string": "Cr1 Ga3 P4\n1.0\n5.491184 0.000000 0.000000\n0.000000 5.491184 0.000000\n0.000000 0.000000 5.491184\nCr Ga P\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.246277 0.246277 0.246277 P\n0.753723 0.753723 0.246277 P\n0.246277 0.753723 0.753723 P\n0.753723 0.246277 0.753723 P\n",
"nsites": 8,
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],
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"volume": 165.57622972542808,
"volume_molar": 12.4640420239578,
"formula_full": "Cr1 Ga3 P4",
"formula_reduced": "CrGa3P4",
"formula_anonymous": "AB3C4",
"energy": -42.22752998,
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"updated_at": "2021-11-28T01:37:46.679000Z",
"spacegroup": 215
},
{
"id": "mp-752707",
"created_at": "2022-09-04T14:46:55.631173Z",
"structure_string": "Li8 Co4 B4 O16\n1.0\n4.788228 0.000000 0.000000\n0.000000 6.037201 0.000000\n0.000000 0.000000 10.200431\nLi Co B O\n8 4 4 16\ndirect\n0.758255 0.005080 0.658001 Li\n0.755608 0.239589 0.425569 Li\n0.755608 0.260411 0.925569 Li\n0.758255 0.494920 0.158001 Li\n0.258255 0.505080 0.841999 Li\n0.255608 0.739589 0.074431 Li\n0.255608 0.760411 0.574431 Li\n0.258255 0.994920 0.341999 Li\n0.260788 0.015095 0.836657 Co\n0.260788 0.484905 0.336657 Co\n0.760788 0.515095 0.663343 Co\n0.760788 0.984905 0.163343 Co\n0.263959 0.239113 0.091914 B\n0.263959 0.260887 0.591914 B\n0.763959 0.739113 0.408086 B\n0.763959 0.760887 0.908086 B\n0.149706 0.036961 0.157545 O\n0.169558 0.052511 0.658675 O\n0.171869 0.253124 0.451805 O\n0.573370 0.230683 0.097487 O\n0.573370 0.269317 0.597487 O\n0.171869 0.246876 0.951805 O\n0.169558 0.447489 0.158675 O\n0.149706 0.463039 0.657545 O\n0.649706 0.536961 0.342455 O\n0.669558 0.552511 0.841325 O\n0.671869 0.753124 0.048195 O\n0.073370 0.730683 0.402513 O\n0.073370 0.769317 0.902513 O\n0.671869 0.746876 0.548195 O\n0.669558 0.947489 0.341325 O\n0.649706 0.963039 0.842455 O\n",
"nsites": 32,
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"elements": [
"Li",
"Co",
"B",
"O"
],
"chemical_system": "B-Co-Li-O",
"density": 3.325343203058163,
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"volume": 294.86890680253447,
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"formula_full": "Li8 Co4 B4 O16",
"formula_reduced": "Li2CoBO4",
"formula_anonymous": "ABC2D4",
"energy": -219.36131731,
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"spacegroup": 33
},
{
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