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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12132",
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"results": [
{
"id": "mp-1176411",
"created_at": "2022-09-04T14:40:24.114728Z",
"structure_string": "Na8 Li4 Fe4 P4 C4 O28\n1.0\n6.749277 0.000000 0.000000\n-0.109193 8.794776 0.000000\n-0.025424 -0.445649 10.270707\nNa Li Fe P C O\n8 4 4 4 4 28\ndirect\n0.252679 0.085517 0.619323 Na\n0.001106 0.258796 0.367444 Na\n0.002925 0.264744 0.879196 Na\n0.497571 0.264354 0.874008 Na\n0.503655 0.741671 0.125697 Na\n0.997820 0.740207 0.126445 Na\n0.505395 0.737449 0.625624 Na\n0.993411 0.737338 0.628222 Na\n0.262891 0.091941 0.123057 Li\n0.470342 0.283412 0.377527 Li\n0.738143 0.903064 0.378181 Li\n0.749372 0.900610 0.879316 Li\n0.745180 0.352206 0.114064 Fe\n0.745136 0.348323 0.602575 Fe\n0.249793 0.652057 0.385042 Fe\n0.253437 0.651852 0.890908 Fe\n0.254525 0.402897 0.145789 P\n0.247337 0.415028 0.637892 P\n0.745493 0.590857 0.352342 P\n0.751557 0.590288 0.857492 P\n0.747886 0.048583 0.141410 C\n0.749720 0.050163 0.642944 C\n0.260748 0.948628 0.355785 C\n0.250755 0.950109 0.867548 C\n0.276328 0.093431 0.338831 O\n0.245112 0.093172 0.846820 O\n0.748826 0.073945 0.017761 O\n0.752871 0.077860 0.519679 O\n0.741008 0.163036 0.226733 O\n0.743267 0.163900 0.729173 O\n0.066001 0.303799 0.116336 O\n0.430045 0.301790 0.099256 O\n0.059318 0.318215 0.598935 O\n0.428903 0.318948 0.589172 O\n0.274267 0.434300 0.297084 O\n0.729046 0.431828 0.411811 O\n0.255521 0.437809 0.789224 O\n0.752083 0.437913 0.927090 O\n0.249828 0.557278 0.079560 O\n0.748955 0.567109 0.201239 O\n0.246828 0.571819 0.576690 O\n0.749165 0.558880 0.707464 O\n0.568718 0.695661 0.391700 O\n0.933565 0.682705 0.397595 O\n0.569519 0.690663 0.896579 O\n0.936464 0.691485 0.895470 O\n0.249406 0.853479 0.255531 O\n0.252905 0.851005 0.768722 O\n0.254957 0.892571 0.470910 O\n0.254722 0.901547 0.985342 O\n0.753230 0.912636 0.184002 O\n0.752263 0.913123 0.683459 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8735070504186933,
"density_atomic": 0.0852944883756449,
"volume": 609.6525225755166,
"volume_molar": 7.060410203151613,
"formula_full": "Na8 Li4 Fe4 P4 C4 O28",
"formula_reduced": "Na2LiFePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -368.48227187,
"energy_per_atom": -7.086197535961538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -340.22227187,
"band_gap": 3.8533,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.673000Z",
"spacegroup": 1
},
{
"id": "mp-1204531",
"created_at": "2022-09-04T14:40:24.349222Z",
"structure_string": "H46 Ru2 S4 N10 Cl2 O24\n1.0\n-0.017534 0.009084 6.470063\n-9.706790 -0.062827 1.570364\n-1.817065 -13.735860 2.581065\nH Ru S N Cl O\n46 2 4 10 2 24\ndirect\n0.845653 0.770593 0.217857 H\n0.154347 0.229407 0.782143 H\n0.672562 0.710833 0.310634 H\n0.327438 0.289167 0.689366 H\n0.628318 0.714812 0.197216 H\n0.371682 0.285188 0.802784 H\n0.064370 0.600826 0.368819 H\n0.935630 0.399174 0.631181 H\n0.239129 0.467021 0.331996 H\n0.760871 0.532979 0.668004 H\n0.224021 0.624032 0.261154 H\n0.775979 0.375968 0.738846 H\n0.861282 0.380725 0.425991 H\n0.138718 0.619275 0.574009 H\n0.682620 0.521353 0.411304 H\n0.317380 0.478647 0.588696 H\n0.641844 0.371216 0.381665 H\n0.358156 0.628784 0.618335 H\n0.201001 0.627198 0.105411 H\n0.798999 0.372802 0.894589 H\n0.174715 0.478539 0.067326 H\n0.825285 0.521461 0.932674 H\n0.989246 0.618455 0.055763 H\n0.010754 0.381545 0.944237 H\n0.981289 0.218590 0.265022 H\n0.018711 0.781410 0.734978 H\n0.199135 0.271056 0.287062 H\n0.800865 0.728944 0.712938 H\n0.168241 0.270805 0.171796 H\n0.831759 0.729195 0.828204 H\n0.628925 0.157757 0.581089 H\n0.371075 0.842243 0.418911 H\n0.792473 0.824921 0.966068 H\n0.207527 0.175079 0.033932 H\n0.684505 0.184503 0.132901 H\n0.315495 0.815497 0.867099 H\n0.748478 0.012556 0.557089 H\n0.251522 0.987444 0.442911 H\n0.792102 0.034430 0.352792 H\n0.207898 0.965570 0.647208 H\n0.724481 0.087805 0.049810 H\n0.275519 0.912195 0.950190 H\n0.625183 0.737933 0.029698 H\n0.374817 0.262067 0.970302 H\n0.615178 0.162985 0.347011 H\n0.384822 0.837015 0.652989 H\n0.912383 0.491912 0.237847 Ru\n0.087617 0.508088 0.762153 Ru\n0.729134 0.742239 0.503914 S\n0.270866 0.257761 0.496086 S\n0.736890 0.107266 0.845364 S\n0.263110 0.892734 0.154636 S\n0.745199 0.695380 0.240757 N\n0.254801 0.304620 0.759243 N\n0.137580 0.553672 0.307416 N\n0.862420 0.446328 0.692584 N\n0.756760 0.433691 0.380547 N\n0.243240 0.566309 0.619453 N\n0.093196 0.562031 0.100221 N\n0.906804 0.437969 0.899779 N\n0.090129 0.289776 0.239593 N\n0.909871 0.710224 0.760407 N\n0.665452 0.429112 0.165094 Cl\n0.334548 0.570888 0.834906 Cl\n0.584209 0.698386 0.445492 O\n0.415791 0.301614 0.554508 O\n0.637618 0.709024 0.611032 O\n0.362382 0.290976 0.388968 O\n0.940672 0.658060 0.485980 O\n0.059328 0.341940 0.514020 O\n0.737822 0.892094 0.479027 O\n0.262178 0.107906 0.520973 O\n0.613233 0.042016 0.788637 O\n0.386767 0.957984 0.211363 O\n0.616492 0.246174 0.870990 O\n0.383508 0.753826 0.129010 O\n0.761055 0.012757 0.936993 O\n0.238945 0.987243 0.063007 O\n0.940096 0.131896 0.784160 O\n0.059904 0.868104 0.215840 O\n0.763977 0.727206 0.986575 O\n0.236023 0.272794 0.013425 O\n0.752377 0.088737 0.595074 O\n0.247623 0.911263 0.404926 O\n0.766414 0.132723 0.326389 O\n0.233586 0.867277 0.673611 O\n0.751054 0.093965 0.115439 O\n0.248946 0.906035 0.884561 O\n",
"nsites": 88,
"nelements": 6,
"elements": [
"H",
"Ru",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Ru-S",
"density": 1.8724554701905847,
"density_atomic": 0.1021179799679559,
"volume": 861.7483427268534,
"volume_molar": 5.897238431361175,
"formula_full": "H46 Ru2 S4 N10 Cl2 O24",
"formula_reduced": "H23RuS2N5ClO12",
"formula_anonymous": "ABC2D5E12F23",
"energy": -483.96852185,
"energy_per_atom": -5.49964229375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -462.64252185,
"band_gap": 0.0229,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9989562,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.430000Z",
"spacegroup": 2
},
{
"id": "mp-772507",
"created_at": "2022-09-04T14:40:26.822835Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.772614 0.000000 0.000000\n-0.178396 8.772490 0.000000\n-0.036243 -0.165021 10.182383\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.240480 0.917335 0.877224 Na\n0.501259 0.746165 0.623940 Na\n0.997835 0.746210 0.126374 Na\n0.501329 0.744433 0.124961 Na\n0.500814 0.253680 0.875327 Na\n0.499562 0.253803 0.375975 Na\n0.234725 0.915885 0.375320 Li\n0.024880 0.726539 0.612916 Li\n0.974909 0.273102 0.887806 Li\n0.983305 0.268317 0.383295 Li\n0.773798 0.087984 0.626552 Li\n0.763264 0.092373 0.127506 Li\n0.750371 0.638182 0.884424 Mn\n0.753845 0.641300 0.389769 Mn\n0.245486 0.353196 0.612165 Mn\n0.243833 0.357527 0.111431 Mn\n0.239159 0.584885 0.849857 P\n0.246469 0.591136 0.355122 P\n0.758863 0.405723 0.645238 P\n0.752173 0.403599 0.146117 P\n0.760881 0.955239 0.865738 C\n0.760573 0.955780 0.367062 C\n0.238817 0.043441 0.626717 C\n0.246286 0.059839 0.142960 C\n0.222557 0.898756 0.647461 O\n0.255334 0.914793 0.164928 O\n0.753781 0.916958 0.989193 O\n0.752226 0.915882 0.489401 O\n0.751582 0.850365 0.773827 O\n0.754286 0.851060 0.274022 O\n0.064922 0.681666 0.900038 O\n0.432611 0.672354 0.890183 O\n0.073700 0.695120 0.400179 O\n0.438912 0.678809 0.396276 O\n0.228362 0.573117 0.696498 O\n0.770831 0.570892 0.590454 O\n0.241797 0.572638 0.202402 O\n0.746801 0.564539 0.085177 O\n0.231815 0.420238 0.905010 O\n0.775171 0.419904 0.798323 O\n0.231164 0.429113 0.413808 O\n0.774897 0.424592 0.298441 O\n0.563233 0.320620 0.608202 O\n0.926628 0.303121 0.591893 O\n0.562404 0.307673 0.114253 O\n0.924794 0.306669 0.091944 O\n0.246049 0.139636 0.726041 O\n0.234042 0.154730 0.241362 O\n0.248570 0.094511 0.507358 O\n0.248930 0.112031 0.023818 O\n0.776618 0.097027 0.832052 O\n0.775065 0.097513 0.333662 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7977217896631306,
"density_atomic": 0.0859557054986656,
"volume": 604.9627502715019,
"volume_molar": 7.006097762868679,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.19769897,
"energy_per_atom": -7.25380190326923,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -351.28969897,
"band_gap": 3.487,
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"is_magnetic": true,
"total_magnetization": 20.0042962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.333000Z",
"spacegroup": 1
},
{
"id": "mp-1234357",
"created_at": "2022-09-04T14:40:29.662865Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n7.202170 0.048066 -2.627119\n-0.605173 7.580094 -1.545743\n0.032664 -0.013489 10.903552\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.827474 0.078375 0.812617 K\n0.233445 0.929337 0.179021 K\n0.383382 0.922290 0.558578 Mg\n0.653956 0.314233 0.324259 Fe\n0.329885 0.652091 0.679053 Fe\n0.499181 0.509076 0.008178 Fe\n0.982837 0.006449 0.494416 Fe\n0.664416 0.729594 0.509429 P\n0.356924 0.255527 0.484059 P\n0.305866 0.108779 0.811044 P\n0.693544 0.913266 0.177868 P\n0.066281 0.590489 0.854295 P\n0.925842 0.412769 0.162463 P\n0.701504 0.557660 0.436183 O\n0.297283 0.413687 0.556887 O\n0.815497 0.877188 0.562544 O\n0.228727 0.085594 0.447989 O\n0.587434 0.074895 0.207671 O\n0.413050 0.963846 0.754635 O\n0.437813 0.268935 0.893295 O\n0.553948 0.751886 0.119636 O\n0.872425 0.893537 0.286626 O\n0.123808 0.139913 0.709369 O\n0.884448 0.350000 0.270618 O\n0.098722 0.638547 0.738751 O\n0.778407 0.471595 0.051648 O\n0.219277 0.545596 0.969797 O\n0.423659 0.272558 0.371308 O\n0.562298 0.729414 0.608154 O\n0.822638 0.223116 0.468477 F\n0.164552 0.776148 0.520336 F\n0.505083 0.414043 0.166706 F\n0.500992 0.605524 0.856360 F\n0.757058 0.945223 0.057285 F\n0.246771 0.029003 0.918771 F\n0.901398 0.444928 0.805635 F\n0.093833 0.554451 0.223777 F\n0.538366 0.187755 0.596341 F\n0.493448 0.812901 0.396711 F\n0.023736 0.260765 0.094063 F\n0.968294 0.747351 0.917646 F\n",
"nsites": 41,
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"elements": [
"K",
"Mg",
"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-K-Mg-O-P",
"density": 2.773901505652667,
"density_atomic": 0.06878587882007116,
"volume": 596.0525721746908,
"volume_molar": 8.75490851218548,
"formula_full": "K2 Mg1 Fe4 P6 O16 F12",
"formula_reduced": "K2MgFe4P6(O4F3)4",
"formula_anonymous": "AB2C4D6E12F16",
"energy": -282.10554344,
"energy_per_atom": -6.880623010731708,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.211000Z",
"spacegroup": 1
},
{
"id": "mp-1233527",
"created_at": "2022-09-04T14:40:26.601883Z",
"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n-0.064375 -6.063912 0.080892\n-5.566992 -0.078825 -0.009989\n-0.027566 0.110530 -8.360038\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.575423 0.528720 0.738669 Sr\n0.925954 0.056707 0.273700 Sr\n0.057157 0.969554 0.732959 Pr\n0.390805 0.474066 0.296838 Pr\n0.783408 0.614079 0.103421 Mg\n0.149419 0.446774 0.936981 Fe\n0.497036 0.008663 0.527744 Fe\n0.984000 0.507365 0.509017 Ru\n0.497278 0.015180 0.999729 Ru\n0.971981 0.397130 0.746792 O\n0.434334 0.121702 0.770792 O\n0.009971 0.593782 0.272212 O\n0.559391 0.836434 0.214063 O\n0.185309 0.214002 0.478745 O\n0.652763 0.302818 0.076463 O\n0.780377 0.844197 0.926557 O\n0.275422 0.711077 0.544869 O\n0.793432 0.800452 0.547724 O\n0.302269 0.740906 0.929261 O\n0.222065 0.197075 0.089164 O\n0.690300 0.309790 0.467633 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Pr",
"Mg",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Mg-O-Pr-Ru-Sr",
"density": 5.810452059747056,
"density_atomic": 0.07443589381721996,
"volume": 282.1219565330439,
"volume_molar": 8.090372065374249,
"formula_full": "Sr2 Pr2 Mg1 Fe2 Ru2 O12",
"formula_reduced": "Sr2Pr2MgFe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -159.19577372,
"energy_per_atom": -7.58075112952381,
"energy_above_hull": null,
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"energy_uncorrected": -146.43977372,
"band_gap": 0.0,
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"total_magnetization": 12.1689056,
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"updated_at": "2021-11-28T01:35:07.611000Z",
"spacegroup": 1
},
{
"id": "mp-1227954",
"created_at": "2022-09-04T14:40:32.841202Z",
"structure_string": "Ca1 Mn25 Fe1 Si4 Sb1 O44\n1.0\n-3.393746 -5.878698 -0.000032\n6.789118 -0.001000 -11.353691\n10.177040 -5.876275 -0.004461\nCa Mn Fe Si Sb O\n1 25 1 4 1 44\ndirect\n0.499692 0.999555 0.499861 Ca\n0.249367 0.999909 0.750781 Mn\n0.750501 0.999956 0.249230 Mn\n0.999042 0.998112 0.500902 Mn\n0.500971 0.001842 0.999095 Mn\n0.750526 0.999914 0.750809 Mn\n0.249454 0.999955 0.249240 Mn\n0.003892 0.499552 0.994554 Mn\n0.495942 0.500319 0.505451 Mn\n0.749872 0.499789 0.750008 Mn\n0.250202 0.500455 0.249785 Mn\n0.495685 0.499566 0.994514 Mn\n0.004405 0.500308 0.505517 Mn\n0.000082 0.999927 0.000565 Mn\n0.364986 0.232746 0.467306 Mn\n0.867263 0.234199 0.966525 Mn\n0.867623 0.232668 0.467314 Mn\n0.366925 0.234293 0.966458 Mn\n0.116678 0.233309 0.716722 Mn\n0.616843 0.233752 0.215432 Mn\n0.632842 0.764285 0.533841 Mn\n0.134551 0.768770 0.032463 Mn\n0.131301 0.764159 0.533870 Mn\n0.634280 0.768851 0.032477 Mn\n0.883940 0.767819 0.282663 Mn\n0.382510 0.765043 0.785015 Mn\n0.250143 0.500194 0.749937 Fe\n0.867888 0.735810 0.798250 Si\n0.368013 0.736009 0.299187 Si\n0.132072 0.264160 0.200287 Si\n0.632080 0.264067 0.702288 Si\n0.749932 0.499825 0.250162 Sb\n0.966667 0.406732 0.875416 O\n0.473903 0.410283 0.371007 O\n0.440337 0.407066 0.875212 O\n0.936082 0.409961 0.371227 O\n0.705908 0.412136 0.140651 O\n0.202760 0.405340 0.638984 O\n0.024963 0.590895 0.128992 O\n0.534087 0.591693 0.624903 O\n0.566319 0.591253 0.128687 O\n0.057408 0.591486 0.625083 O\n0.296414 0.592998 0.862907 O\n0.794519 0.588819 0.357753 O\n0.795624 0.591169 0.871561 O\n0.295340 0.590825 0.371062 O\n0.204719 0.409345 0.129158 O\n0.704289 0.408567 0.628311 O\n0.739596 0.057773 0.067296 O\n0.230741 0.055058 0.571616 O\n0.318429 0.057667 0.067434 O\n0.824292 0.055227 0.571558 O\n0.527597 0.055140 0.273447 O\n0.028619 0.057279 0.779724 O\n0.265439 0.946977 0.929733 O\n0.764963 0.940538 0.430999 O\n0.681574 0.946735 0.929860 O\n0.175368 0.940525 0.430967 O\n0.470279 0.940475 0.727232 O\n0.973844 0.947725 0.219534 O\n0.602680 0.205087 0.398183 O\n0.099443 0.199237 0.899801 O\n0.902763 0.805902 0.096001 O\n0.395454 0.790834 0.605265 O\n0.092145 0.785796 0.838910 O\n0.590965 0.784732 0.341810 O\n0.891979 0.784284 0.640755 O\n0.393224 0.786225 0.141823 O\n0.693538 0.785713 0.839056 O\n0.193803 0.784800 0.341699 O\n0.909247 0.215595 0.157254 O\n0.407473 0.214037 0.661904 O\n0.106628 0.213528 0.357532 O\n0.608158 0.215850 0.859965 O\n0.306273 0.215488 0.157458 O\n0.806645 0.214085 0.661761 O\n",
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],
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"density_atomic": 0.08393052022612615,
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"volume_molar": 7.175150045269717,
"formula_full": "Ca1 Mn25 Fe1 Si4 Sb1 O44",
"formula_reduced": "CaMn25FeSi4SbO44",
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"updated_at": "2021-11-28T01:34:53.525000Z",
"spacegroup": 8
},
{
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"structure_string": "Zn4 H64 C16 S16 N40 O24\n1.0\n24.717328 0.000000 0.000000\n0.000000 10.454229 -0.000000\n0.000000 -0.000000 9.113946\nZn H C S N O\n4 64 16 16 40 24\ndirect\n0.469575 0.750000 0.750000 Zn\n0.030425 0.250000 0.250000 Zn\n0.530425 0.250000 0.250000 Zn\n0.969575 0.750000 0.750000 Zn\n0.689597 0.114181 0.759736 H\n0.689597 0.385819 0.740264 H\n0.810403 0.885819 0.259736 H\n0.810403 0.614181 0.240264 H\n0.310403 0.885819 0.240264 H\n0.310403 0.614181 0.259736 H\n0.189597 0.114181 0.740264 H\n0.189597 0.385819 0.759736 H\n0.634120 0.152833 0.873541 H\n0.634120 0.347167 0.626459 H\n0.865880 0.847167 0.373541 H\n0.865880 0.652833 0.126459 H\n0.365880 0.847167 0.126459 H\n0.365880 0.652833 0.373541 H\n0.134120 0.152833 0.626459 H\n0.134120 0.347167 0.873541 H\n0.634819 0.826972 0.627321 H\n0.634819 0.673028 0.872679 H\n0.865181 0.173028 0.127321 H\n0.865181 0.326972 0.372679 H\n0.365181 0.173028 0.372679 H\n0.365181 0.326972 0.127321 H\n0.134819 0.826972 0.872679 H\n0.134819 0.673028 0.627321 H\n0.692233 0.920314 0.641671 H\n0.692233 0.579686 0.858329 H\n0.807767 0.079686 0.141671 H\n0.807767 0.420314 0.358329 H\n0.307767 0.079686 0.358329 H\n0.307767 0.420314 0.141671 H\n0.192233 0.920314 0.858329 H\n0.192233 0.579686 0.641671 H\n0.424632 0.364031 0.708606 H\n0.424632 0.135969 0.791394 H\n0.075368 0.635969 0.208606 H\n0.075368 0.864031 0.291394 H\n0.575368 0.635969 0.291394 H\n0.575368 0.864031 0.208606 H\n0.924632 0.364031 0.791394 H\n0.924632 0.135969 0.708606 H\n0.449029 0.395208 0.742251 H\n0.449029 0.104792 0.757749 H\n0.050971 0.604792 0.242252 H\n0.050971 0.895208 0.257748 H\n0.550971 0.604792 0.257748 H\n0.550971 0.895208 0.242252 H\n0.949029 0.395208 0.757749 H\n0.949029 0.104792 0.742251 H\n0.296571 0.629832 0.902359 H\n0.296571 0.870168 0.597641 H\n0.203429 0.370168 0.402359 H\n0.203429 0.129832 0.097641 H\n0.703429 0.370168 0.097641 H\n0.703429 0.129832 0.402359 H\n0.796571 0.629832 0.597641 H\n0.796571 0.870168 0.902359 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O\n0.751872 0.772091 0.985053 O\n0.251872 0.727909 0.985053 O\n0.251872 0.772091 0.514947 O\n0.248128 0.272091 0.485053 O\n0.248128 0.227909 0.014947 O\n",
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},
{
"id": "mp-1234282",
"created_at": "2022-09-04T14:40:26.285715Z",
"structure_string": "Mg1 H4 C4 S4 O12 F12\n1.0\n-5.717729 -0.088112 0.956004\n0.332029 0.082966 -8.451894\n-0.189433 -11.423359 0.104722\nMg H C S O F\n1 4 4 4 12 12\ndirect\n0.034693 0.370385 0.203521 Mg\n0.495720 0.510762 0.742124 H\n0.992973 0.009294 0.755102 H\n0.514167 0.486049 0.284526 H\n0.059335 0.070441 0.173552 H\n0.393504 0.729837 0.941170 C\n0.908638 0.234919 0.562243 C\n0.574759 0.256825 0.060108 C\n0.089190 0.752584 0.437469 C\n0.558677 0.761532 0.795628 S\n0.062584 0.260211 0.706192 S\n0.477825 0.226181 0.224015 S\n0.911799 0.711133 0.300351 S\n0.628558 0.593902 0.775607 O\n0.127453 0.091300 0.719643 O\n0.385988 0.400158 0.245301 O\n0.912965 0.866725 0.250927 O\n0.774634 0.875509 0.818189 O\n0.281840 0.372954 0.684006 O\n0.134119 0.177545 0.145470 O\n0.682827 0.621906 0.344553 O\n0.394740 0.792679 0.712511 O\n0.893680 0.291607 0.793138 O\n0.722705 0.273786 0.275059 O\n0.042499 0.608653 0.227594 O\n0.275487 0.849236 0.960848 F\n0.806550 0.362126 0.547599 F\n0.613875 0.115718 0.017833 F\n0.183545 0.623933 0.462406 F\n0.236758 0.587264 0.937145 F\n0.742460 0.098205 0.563387 F\n0.790725 0.367843 0.056620 F\n0.264710 0.882983 0.422880 F\n0.543395 0.726490 0.028191 F\n0.065871 0.227369 0.473328 F\n0.435685 0.316713 0.990016 F\n0.947566 0.780954 0.528419 F\n",
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{
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},
{
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"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n0.107872 -0.026997 5.177763\n8.927833 6.845036 0.204964\n-8.586822 6.388039 -0.275018\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.757490 0.154306 0.071054 Na\n0.757599 0.654120 0.570781 Na\n0.257576 0.382048 0.123433 Na\n0.257318 0.881969 0.623731 Na\n0.749775 0.620891 0.877262 Na\n0.748331 0.120883 0.377702 Na\n0.229328 0.164876 0.873791 Li\n0.230762 0.664723 0.373655 Li\n0.765092 0.839168 0.123766 Li\n0.762316 0.339839 0.624014 Li\n0.245763 0.855890 0.945084 Li\n0.244499 0.355640 0.444897 Li\n0.784597 0.052073 0.705549 Fe\n0.217770 0.445563 0.789795 Fe\n0.786025 0.551825 0.205765 Fe\n0.218182 0.945485 0.289857 Fe\n0.715072 0.330938 0.911388 P\n0.715392 0.830845 0.411163 P\n0.291781 0.668464 0.083003 P\n0.289774 0.168522 0.582971 P\n0.711827 0.402467 0.362847 C\n0.713083 0.902477 0.862817 C\n0.280349 0.594499 0.641450 C\n0.280322 0.094659 0.141567 C\n0.296809 0.167513 0.066947 O\n0.297011 0.667401 0.566980 O\n0.954803 0.414341 0.343702 O\n0.955971 0.913924 0.843273 O\n0.536797 0.460196 0.308093 O\n0.537935 0.960495 0.808361 O\n0.827494 0.195791 0.875879 O\n0.828169 0.695719 0.375750 O\n0.794330 0.387569 0.057418 O\n0.794578 0.887517 0.557167 O\n0.413502 0.328748 0.895549 O\n0.413867 0.828510 0.395337 O\n0.177648 0.599009 0.173746 O\n0.175983 0.098829 0.673597 O\n0.823452 0.404218 0.823265 O\n0.823640 0.904072 0.322988 O\n0.592512 0.670691 0.102746 O\n0.590490 0.170948 0.602889 O\n0.216329 0.607961 0.938437 O\n0.214210 0.108102 0.438394 O\n0.181424 0.804779 0.111885 O\n0.179289 0.304804 0.611906 O\n0.487076 0.547312 0.684677 O\n0.487219 0.048337 0.185550 O\n0.056649 0.565227 0.673734 O\n0.056715 0.064624 0.173122 O\n0.638601 0.835650 0.935662 O\n0.637481 0.335536 0.435607 O\n",
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{
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"structure_string": "K4 Na2 Ca4 Ti2 Si14 O40\n1.0\n0.010598 0.004138 7.162541\n10.361721 -0.054346 -1.689017\n-0.645461 12.322318 -0.209530\nK Na Ca Ti Si O\n4 2 4 2 14 40\ndirect\n0.929464 0.651367 0.994099 K\n0.380512 0.538437 0.755897 K\n0.365254 0.324241 0.197123 K\n0.841167 0.422720 0.445868 K\n0.501115 0.997386 0.989492 Na\n0.726818 0.965372 0.213203 Na\n0.025539 0.102536 0.692384 Ca\n0.522010 0.105473 0.681001 Ca\n0.203637 0.859880 0.510261 Ca\n0.706336 0.855982 0.521598 Ca\n0.018082 0.993815 0.000555 Ti\n0.210809 0.971352 0.204717 Ti\n0.542721 0.291507 0.911614 Si\n0.116386 0.297863 0.921099 Si\n0.984132 0.111741 0.409981 Si\n0.537555 0.108403 0.402577 Si\n0.242149 0.851765 0.794030 Si\n0.690077 0.855930 0.799702 Si\n0.113459 0.667188 0.284115 Si\n0.683427 0.671161 0.289064 Si\n0.310121 0.296757 0.515947 Si\n0.835318 0.261708 0.092600 Si\n0.397573 0.703548 0.111602 Si\n0.382322 0.583941 0.450951 Si\n0.916917 0.666294 0.686485 Si\n0.844343 0.378378 0.751096 Si\n0.829731 0.309694 0.220561 O\n0.108275 0.255907 0.446014 O\n0.479040 0.252577 0.438392 O\n0.352900 0.456264 0.524867 O\n0.058725 0.061629 0.294221 O\n0.703087 0.814203 0.340531 O\n0.385276 0.660449 0.981990 O\n0.824761 0.106056 0.076976 O\n0.030798 0.337468 0.039629 O\n0.651369 0.309296 0.032760 O\n0.583168 0.653135 0.165491 O\n0.205779 0.627014 0.167957 O\n0.884720 0.615860 0.272444 O\n0.554866 0.564044 0.365452 O\n0.184869 0.575764 0.376859 O\n0.768179 0.140390 0.387703 O\n0.037643 0.388811 0.829925 O\n0.056135 0.146336 0.887794 O\n0.345071 0.351257 0.931289 O\n0.169142 0.900985 0.910580 O\n0.787754 0.905131 0.917410 O\n0.745568 0.711425 0.761370 O\n0.233601 0.948054 0.696571 O\n0.737762 0.953755 0.702984 O\n0.808751 0.248617 0.674821 O\n0.302828 0.239111 0.633557 O\n0.927802 0.723676 0.568946 O\n0.421318 0.713755 0.527475 O\n0.489198 0.010944 0.499246 O\n0.116129 0.706912 0.759771 O\n0.459542 0.825682 0.814821 O\n0.875458 0.506671 0.677686 O\n0.443051 0.059264 0.284069 O\n0.989836 0.013426 0.506133 O\n0.514288 0.147426 0.861963 O\n0.995902 0.883622 0.114281 O\n0.233783 0.080105 0.089875 O\n0.667112 0.396568 0.832861 O\n0.175848 0.818775 0.316883 O\n0.407692 0.859195 0.127784 O\n",
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{
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"structure_string": "Li4 Ti1 Fe2 Ni3 P6 O24\n1.0\n8.503460 -0.123252 -0.068396\n4.179100 7.519115 -0.068108\n4.194371 2.445263 7.101911\nLi Ti Fe Ni P O\n4 1 2 3 6 24\ndirect\n0.743124 0.151503 0.361629 Li\n0.296607 0.848859 0.640438 Li\n0.637825 0.297372 0.851486 Li\n0.851994 0.636917 0.301147 Li\n0.851310 0.844834 0.851411 Ti\n0.011915 0.000146 0.998878 Fe\n0.490008 0.503950 0.500762 Fe\n0.144146 0.148423 0.145216 Ni\n0.358733 0.354660 0.352418 Ni\n0.644301 0.648104 0.649764 Ni\n0.243542 0.547650 0.960935 P\n0.555115 0.962497 0.246601 P\n0.945389 0.243220 0.539848 P\n0.051800 0.743034 0.447994 P\n0.446298 0.044872 0.750825 P\n0.749280 0.444186 0.044902 P\n0.122170 0.277303 0.498145 O\n0.295618 0.529678 0.115514 O\n0.066536 0.905478 0.261320 O\n0.561948 0.109153 0.294268 O\n0.990843 0.811488 0.616032 O\n0.242335 0.586315 0.451264 O\n0.253686 0.080328 0.901842 O\n0.474006 0.224464 0.582815 O\n0.156931 0.407301 0.008740 O\n0.599112 0.440658 0.240814 O\n0.101551 0.759813 0.904899 O\n0.400394 0.033431 0.168713 O\n0.613509 0.975426 0.825853 O\n0.901148 0.248205 0.073128 O\n0.411618 0.548409 0.768149 O\n0.819578 0.610033 0.983703 O\n0.542756 0.774667 0.416646 O\n0.761661 0.897608 0.101899 O\n0.758269 0.418984 0.549389 O\n0.954568 0.175325 0.400624 O\n0.469739 0.891850 0.691320 O\n0.899183 0.100979 0.749972 O\n0.683785 0.473360 0.893766 O\n0.897667 0.676516 0.479930 O\n",
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}