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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=11561",
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"results": [
{
"id": "mp-1245326",
"created_at": "2022-09-04T14:41:47.208523Z",
"structure_string": "Ga50 N50\n1.0\n11.569161 -0.034439 -0.289081\n-0.038344 11.237653 -0.370430\n-0.289069 -0.369573 11.450254\nGa N\n50 50\ndirect\n0.039228 0.993261 0.442504 Ga\n0.105750 0.745897 0.325472 Ga\n0.778332 0.820271 0.015665 Ga\n0.052295 0.842560 0.933353 Ga\n0.207259 0.219990 0.143949 Ga\n0.264444 0.964884 0.784199 Ga\n0.561810 0.759606 0.753568 Ga\n0.942920 0.208721 0.283072 Ga\n0.256205 0.082849 0.549758 Ga\n0.465106 0.079558 0.199630 Ga\n0.269786 0.841398 0.480659 Ga\n0.334598 0.991971 0.993374 Ga\n0.488405 0.302889 0.180320 Ga\n0.746284 0.444914 0.187896 Ga\n0.109754 0.363507 0.454798 Ga\n0.621076 0.971827 0.974799 Ga\n0.067509 0.072053 0.739290 Ga\n0.422998 0.515801 0.775132 Ga\n0.006567 0.772472 0.586640 Ga\n0.055641 0.445918 0.239265 Ga\n0.680591 0.027023 0.424270 Ga\n0.499879 0.302464 0.714982 Ga\n0.913765 0.546611 0.376530 Ga\n0.793429 0.186461 0.907803 Ga\n0.306308 0.266303 0.400867 Ga\n0.337961 0.717610 0.912877 Ga\n0.927451 0.646398 0.079473 Ga\n0.264749 0.492565 0.268107 Ga\n0.457535 0.781803 0.115826 Ga\n0.719237 0.139143 0.188746 Ga\n0.901124 0.437474 0.625041 Ga\n0.957208 0.174308 0.572815 Ga\n0.515030 0.011241 0.677939 Ga\n0.694617 0.638714 0.539570 Ga\n0.231836 0.931813 0.220964 Ga\n0.138735 0.594684 0.658301 Ga\n0.666659 0.472195 0.700993 Ga\n0.729781 0.916484 0.709534 Ga\n0.867974 0.683453 0.767594 Ga\n0.851505 0.813837 0.324333 Ga\n0.757049 0.338287 0.431139 Ga\n0.944890 0.308418 0.030434 Ga\n0.970997 0.943186 0.150497 Ga\n0.718845 0.197630 0.690954 Ga\n0.612792 0.639459 0.997275 Ga\n0.301011 0.766050 0.685219 Ga\n0.354985 0.697701 0.292865 Ga\n0.497990 0.715966 0.471276 Ga\n0.606618 0.357541 0.947289 Ga\n0.786741 0.479436 0.921613 Ga\n0.589380 0.235947 0.430740 N\n0.442046 0.230911 0.883490 N\n0.442945 0.011722 0.362743 N\n0.668565 0.037059 0.604068 N\n0.960467 0.713699 0.410212 N\n0.725046 0.742291 0.686896 N\n0.819784 0.275500 0.581842 N\n0.454556 0.773099 0.621130 N\n0.863763 0.046587 0.252994 N\n0.359413 0.452707 0.002172 N\n0.590294 0.405552 0.106612 N\n0.504087 0.651348 0.860704 N\n0.305540 0.522971 0.516746 N\n0.801657 0.505190 0.492761 N\n0.247361 0.290113 0.700345 N\n0.883040 0.951837 0.787393 N\n0.045494 0.275418 0.170250 N\n0.686316 0.726408 0.312858 N\n0.362070 0.053167 0.675961 N\n0.904280 0.731756 0.931574 N\n0.145766 0.767022 0.087267 N\n0.093054 0.696506 0.142185 N\n0.390992 0.194045 0.957213 N\n0.085855 0.920100 0.290972 N\n0.584686 0.437532 0.347000 N\n0.279704 0.610163 0.766463 N\n0.057573 0.457663 0.588081 N\n0.487127 0.950216 0.074210 N\n0.521155 0.498047 0.395864 N\n0.087598 0.545421 0.897403 N\n0.658804 0.644137 0.250806 N\n0.024722 0.209237 0.430545 N\n0.853849 0.990618 0.362990 N\n0.377649 0.462733 0.549798 N\n0.285119 0.067316 0.144409 N\n0.869363 0.790252 0.161029 N\n0.320339 0.534419 0.046909 N\n0.097891 0.475721 0.962640 N\n0.165159 0.201400 0.955618 N\n0.879988 0.477149 0.072549 N\n0.788549 0.290456 0.269401 N\n0.507836 0.236164 0.486037 N\n0.353934 0.951761 0.361733 N\n0.194538 0.354812 0.753326 N\n0.912223 0.051328 0.830447 N\n0.691295 0.125669 0.019518 N\n0.591402 0.930386 0.807188 N\n0.081074 0.228138 0.903018 N\n0.326821 0.327889 0.236389 N\n0.832487 0.508347 0.764325 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.677883201941132,
"density_atomic": 0.06729003235569755,
"volume": 1486.1042044295114,
"volume_molar": 8.949528703102331,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.48727915,
"energy_per_atom": -5.634872791499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.43727915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.807000Z",
"spacegroup": 1
},
{
"id": "mp-686724",
"created_at": "2022-09-04T14:46:29.679910Z",
"structure_string": "Sr2 La14 Mg4 Ga12 O45\n1.0\n4.824322 -0.009015 2.758494\n1.595158 4.581206 2.764217\n-0.378741 -0.213333 44.847278\nSr La Mg Ga O\n2 14 4 12 45\ndirect\n0.259197 0.262292 0.024143 Sr\n0.256131 0.256049 0.154477 Sr\n0.277443 0.252426 0.278716 La\n0.793749 0.736804 0.088882 La\n0.208604 0.231874 0.415206 La\n0.755707 0.744416 0.215755 La\n0.245752 0.242055 0.533756 La\n0.704217 0.792427 0.349424 La\n0.246872 0.246071 0.657210 La\n0.747805 0.752340 0.470477 La\n0.253149 0.252564 0.779450 La\n0.751583 0.748628 0.595052 La\n0.252604 0.266998 0.901792 La\n0.750453 0.749982 0.718240 La\n0.749784 0.750248 0.841917 La\n0.750448 0.757546 0.963572 La\n0.969008 0.960927 0.256920 Mg\n0.948476 0.981504 0.380904 Mg\n0.536739 0.513455 0.184886 Mg\n0.521226 0.520753 0.315379 Mg\n0.005934 0.013666 0.993869 Ga\n0.985275 0.001286 0.128640 Ga\n0.528017 0.527968 0.051976 Ga\n0.992170 0.983957 0.504156 Ga\n0.997775 0.995809 0.626296 Ga\n0.486706 0.495487 0.440319 Ga\n0.000435 0.000101 0.749450 Ga\n0.498242 0.495240 0.564832 Ga\n0.004271 0.006548 0.871946 Ga\n0.500429 0.499911 0.687724 Ga\n0.506184 0.504238 0.810443 Ga\n0.503512 0.508727 0.934101 Ga\n0.270050 0.766568 0.022749 O\n0.263167 0.615227 0.093153 O\n0.688261 0.179641 0.042771 O\n0.899519 0.271644 0.087185 O\n0.338535 0.862824 0.135955 O\n0.800183 0.722787 0.020541 O\n0.176492 0.673339 0.221405 O\n0.699343 0.215660 0.163058 O\n0.759271 0.275452 0.222502 O\n0.344994 0.896983 0.258377 O\n0.820912 0.712887 0.156489 O\n0.190797 0.838752 0.336421 O\n0.651869 0.218715 0.293834 O\n0.181060 0.298236 0.468972 O\n0.587700 0.214977 0.361421 O\n0.293033 0.774749 0.401042 O\n0.868251 0.625115 0.298831 O\n0.215872 0.778419 0.467846 O\n0.765500 0.229301 0.411987 O\n0.180359 0.312195 0.594279 O\n0.673921 0.204491 0.481525 O\n0.327321 0.749993 0.524403 O\n0.779031 0.678549 0.418514 O\n0.236185 0.810726 0.587682 O\n0.760811 0.185673 0.540968 O\n0.180984 0.319150 0.719344 O\n0.671733 0.232918 0.605178 O\n0.320054 0.749845 0.648512 O\n0.813945 0.670227 0.539094 O\n0.253191 0.819196 0.710277 O\n0.752813 0.180908 0.665464 O\n0.188402 0.321196 0.844077 O\n0.682076 0.248596 0.727273 O\n0.318290 0.749070 0.772192 O\n0.819292 0.675975 0.658715 O\n0.265749 0.827910 0.832550 O\n0.748121 0.178765 0.789278 O\n0.187626 0.326304 0.967657 O\n0.692807 0.267829 0.849222 O\n0.310080 0.737639 0.896308 O\n0.824538 0.680709 0.779276 O\n0.269407 0.837311 0.954957 O\n0.748892 0.182243 0.912560 O\n0.711188 0.295935 0.970245 O\n0.816878 0.696677 0.899755 O\n",
"nsites": 77,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-La-Mg-O-Sr",
"density": 6.275768776962377,
"density_atomic": 0.07711366442594406,
"volume": 998.526014464619,
"volume_molar": 7.809434041074977,
"formula_full": "Sr2 La14 Mg4 Ga12 O45",
"formula_reduced": "Sr2La14Mg4(Ga4O15)3",
"formula_anonymous": "A2B4C12D14E45",
"energy": -576.37337925,
"energy_per_atom": -7.485368561688311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.45837925,
"band_gap": 2.7118,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.496000Z",
"spacegroup": 1
},
{
"id": "mp-554745",
"created_at": "2022-09-04T14:44:52.370495Z",
"structure_string": "Cr4 P8 Pb20 O52\n1.0\n9.621058 0.000000 0.000000\n0.000000 10.493797 0.000000\n0.000000 0.000000 13.712095\nCr P Pb O\n4 8 20 52\ndirect\n0.570547 0.750000 0.000827 Cr\n0.070547 0.250000 0.499173 Cr\n0.429453 0.250000 0.999173 Cr\n0.929453 0.750000 0.500827 Cr\n0.430355 0.966732 0.339996 P\n0.430355 0.533268 0.339996 P\n0.069645 0.966732 0.839996 P\n0.069645 0.533268 0.839996 P\n0.569645 0.033268 0.660004 P\n0.930355 0.466732 0.160004 P\n0.569645 0.466732 0.660004 P\n0.930355 0.033268 0.160004 P\n0.213373 0.943345 0.575841 Pb\n0.296175 0.250000 0.764327 Pb\n0.657744 0.250000 0.220624 Pb\n0.342256 0.750000 0.779376 Pb\n0.157744 0.750000 0.279376 Pb\n0.796175 0.750000 0.735673 Pb\n0.713373 0.056655 0.924159 Pb\n0.213373 0.556655 0.575841 Pb\n0.971217 0.750000 0.023667 Pb\n0.203825 0.250000 0.264327 Pb\n0.028783 0.250000 0.976333 Pb\n0.471217 0.250000 0.476333 Pb\n0.286627 0.943345 0.075841 Pb\n0.713373 0.443345 0.924159 Pb\n0.786627 0.056655 0.424159 Pb\n0.286627 0.556655 0.075841 Pb\n0.842256 0.250000 0.720624 Pb\n0.703825 0.750000 0.235673 Pb\n0.528783 0.750000 0.523667 Pb\n0.786627 0.443345 0.424159 Pb\n0.675102 0.250000 0.387416 O\n0.592391 0.612932 0.671362 O\n0.092391 0.387068 0.828638 O\n0.154605 0.250000 0.606220 O\n0.347691 0.604925 0.258881 O\n0.880185 0.419148 0.057841 O\n0.847691 0.104925 0.241119 O\n0.107184 0.121501 0.433152 O\n0.589435 0.562600 0.331468 O\n0.089435 0.437400 0.168532 O\n0.592391 0.887068 0.671362 O\n0.619815 0.080852 0.557841 O\n0.380185 0.580852 0.442159 O\n0.089435 0.062600 0.168532 O\n0.345395 0.250000 0.106220 O\n0.380185 0.919148 0.442159 O\n0.907609 0.887068 0.171362 O\n0.601523 0.250000 0.020557 O\n0.898477 0.250000 0.520557 O\n0.101523 0.750000 0.479443 O\n0.892816 0.878499 0.566848 O\n0.347691 0.895075 0.258881 O\n0.119815 0.580852 0.942159 O\n0.845395 0.750000 0.393780 O\n0.407609 0.112932 0.328638 O\n0.175102 0.750000 0.112584 O\n0.119815 0.919148 0.942159 O\n0.910565 0.937400 0.831468 O\n0.092391 0.112932 0.828638 O\n0.324898 0.750000 0.612584 O\n0.392816 0.121501 0.933152 O\n0.152309 0.895075 0.758881 O\n0.410565 0.437400 0.668532 O\n0.152309 0.604925 0.758881 O\n0.619815 0.419148 0.557841 O\n0.824898 0.250000 0.887416 O\n0.652309 0.395075 0.741119 O\n0.107184 0.378499 0.433152 O\n0.880185 0.080852 0.057841 O\n0.392816 0.378499 0.933152 O\n0.410565 0.062600 0.668532 O\n0.910565 0.562600 0.831468 O\n0.654605 0.750000 0.893780 O\n0.907609 0.612932 0.171362 O\n0.847691 0.395075 0.241119 O\n0.407609 0.387068 0.328638 O\n0.589435 0.937400 0.331468 O\n0.607184 0.621501 0.066848 O\n0.652309 0.104925 0.741119 O\n0.607184 0.878499 0.066848 O\n0.892816 0.621501 0.566848 O\n0.398477 0.750000 0.979443 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Cr",
"P",
"Pb",
"O"
],
"chemical_system": "Cr-O-P-Pb",
"density": 6.515219166859519,
"density_atomic": 0.060676424520881886,
"volume": 1384.3927136987327,
"volume_molar": 9.92500927263351,
"formula_full": "Cr4 P8 Pb20 O52",
"formula_reduced": "CrP2Pb5O13",
"formula_anonymous": "AB2C5D13",
"energy": -589.19843396,
"energy_per_atom": -7.014267070952381,
"energy_above_hull": null,
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"energy_uncorrected": -545.47843396,
"band_gap": 2.0834,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0035244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.484000Z",
"spacegroup": 62
},
{
"id": "mp-1204832",
"created_at": "2022-09-04T14:43:14.641516Z",
"structure_string": "Ga6 Ni54 B28\n1.0\n10.715840 0.000000 0.000000\n0.000000 8.644925 0.000000\n0.000000 0.113728 8.815893\nGa Ni B\n6 54 28\ndirect\n0.250000 0.722328 0.670135 Ga\n0.750000 0.277672 0.329865 Ga\n0.250000 0.140605 0.836068 Ga\n0.750000 0.859395 0.163932 Ga\n0.250000 0.893804 0.246857 Ga\n0.750000 0.106196 0.753143 Ga\n0.250000 0.626489 0.369478 Ni\n0.750000 0.373511 0.630522 Ni\n0.250000 0.208522 0.174244 Ni\n0.750000 0.791478 0.825756 Ni\n0.250000 0.431170 0.758384 Ni\n0.750000 0.568830 0.241616 Ni\n0.250000 0.026916 0.570341 Ni\n0.750000 0.973084 0.429659 Ni\n0.250000 0.794648 0.977371 Ni\n0.750000 0.205352 0.022629 Ni\n0.114881 0.612141 0.128542 Ni\n0.614881 0.387859 0.871458 Ni\n0.885119 0.387859 0.871458 Ni\n0.385119 0.612141 0.128542 Ni\n0.099007 0.825740 0.483840 Ni\n0.599007 0.174260 0.516160 Ni\n0.900993 0.174260 0.516160 Ni\n0.400993 0.825740 0.483840 Ni\n0.107381 0.036877 0.037652 Ni\n0.607381 0.963123 0.962348 Ni\n0.892619 0.963123 0.962348 Ni\n0.392619 0.036877 0.037652 Ni\n0.121275 0.262704 0.581611 Ni\n0.621275 0.737296 0.418389 Ni\n0.878725 0.737296 0.418389 Ni\n0.378725 0.262704 0.581611 Ni\n0.106562 0.907679 0.776022 Ni\n0.606562 0.092321 0.223978 Ni\n0.893438 0.092321 0.223978 Ni\n0.393438 0.907679 0.776022 Ni\n0.100372 0.089000 0.350951 Ni\n0.600372 0.911000 0.649049 Ni\n0.899628 0.911000 0.649049 Ni\n0.399628 0.089000 0.350951 Ni\n0.093697 0.542454 0.570490 Ni\n0.593697 0.457546 0.429510 Ni\n0.906303 0.457546 0.429510 Ni\n0.406303 0.542454 0.570490 Ni\n0.116446 0.345135 0.982142 Ni\n0.616446 0.654865 0.017858 Ni\n0.883554 0.654865 0.017858 Ni\n0.383554 0.345135 0.982142 Ni\n0.005710 0.838408 0.214985 Ni\n0.505710 0.161592 0.785015 Ni\n0.994290 0.161592 0.785015 Ni\n0.494290 0.838408 0.214985 Ni\n0.085246 0.616275 0.849489 Ni\n0.585246 0.383725 0.150511 Ni\n0.914754 0.383725 0.150511 Ni\n0.414754 0.616275 0.849489 Ni\n0.118282 0.391364 0.313416 Ni\n0.618282 0.608636 0.686584 Ni\n0.881718 0.608636 0.686584 Ni\n0.381718 0.391364 0.313416 Ni\n0.250000 0.423363 0.501906 B\n0.750000 0.576637 0.498094 B\n0.250000 0.444267 0.144694 B\n0.750000 0.555733 0.855306 B\n0.250000 0.227141 0.411166 B\n0.750000 0.772859 0.588834 B\n0.250000 0.543456 0.965405 B\n0.750000 0.456544 0.034595 B\n0.052404 0.218913 0.169618 B\n0.552404 0.781087 0.830382 B\n0.947596 0.781087 0.830382 B\n0.447596 0.218913 0.169618 B\n0.051704 0.811517 0.989556 B\n0.551704 0.188483 0.010444 B\n0.948296 0.188483 0.010444 B\n0.448296 0.811517 0.989556 B\n0.060442 0.398928 0.766210 B\n0.560442 0.601072 0.233790 B\n0.939558 0.601072 0.233790 B\n0.439558 0.398928 0.766210 B\n0.946074 0.963462 0.418132 B\n0.446074 0.036538 0.581868 B\n0.053926 0.036538 0.581868 B\n0.553926 0.963462 0.418132 B\n0.057268 0.633441 0.360859 B\n0.557268 0.366559 0.639141 B\n0.942732 0.366559 0.639141 B\n0.442732 0.633441 0.360859 B\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"B"
],
"chemical_system": "B-Ga-Ni",
"density": 7.910420958944423,
"density_atomic": 0.10775288611960421,
"volume": 816.6834612886491,
"volume_molar": 5.588844045732109,
"formula_full": "Ga6 Ni54 B28",
"formula_reduced": "Ga3Ni27B14",
"formula_anonymous": "A3B14C27",
"energy": -545.47969194,
"energy_per_atom": -6.198632862954545,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -545.47969194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0717286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.787000Z",
"spacegroup": 11
},
{
"id": "mp-1245181",
"created_at": "2022-09-04T14:41:10.009676Z",
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{
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{
"id": "mp-1245244",
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{
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{
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},
{
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"structure_string": "Ce2 Nd6 Fe56 B4\n1.0\n8.751408 -0.003682 0.000000\n-0.003682 8.751408 0.000000\n0.000000 0.000000 12.096012\nCe Nd Fe B\n2 6 56 4\ndirect\n0.231737 0.768263 0.500000 Ce\n0.768263 0.231737 0.500000 Ce\n0.268083 0.268083 0.000000 Nd\n0.731917 0.731917 0.000000 Nd\n0.641911 0.641911 0.500000 Nd\n0.358089 0.358089 0.500000 Nd\n0.858501 0.141499 0.000000 Nd\n0.141499 0.858501 0.000000 Nd\n0.182644 0.817356 0.254481 Fe\n0.817356 0.182644 0.254481 Fe\n0.317222 0.317222 0.754067 Fe\n0.682778 0.682778 0.754067 Fe\n0.817356 0.182644 0.745519 Fe\n0.182644 0.817356 0.745519 Fe\n0.682778 0.682778 0.245933 Fe\n0.317222 0.317222 0.245933 Fe\n0.401868 0.598132 0.295314 Fe\n0.598132 0.401868 0.295314 Fe\n0.097877 0.097877 0.794840 Fe\n0.902123 0.902123 0.794840 Fe\n0.598132 0.401868 0.704686 Fe\n0.401868 0.598132 0.704686 Fe\n0.902123 0.902123 0.205160 Fe\n0.097877 0.097877 0.205160 Fe\n0.140029 0.537586 0.323932 Fe\n0.859971 0.462414 0.323932 Fe\n0.360351 0.036954 0.823703 Fe\n0.639649 0.963046 0.823703 Fe\n0.859971 0.462414 0.676068 Fe\n0.140029 0.537586 0.676068 Fe\n0.639649 0.963046 0.176297 Fe\n0.360351 0.036954 0.176297 Fe\n0.537586 0.140029 0.323932 Fe\n0.462414 0.859971 0.323932 Fe\n0.036954 0.360351 0.823703 Fe\n0.963046 0.639649 0.823703 Fe\n0.462414 0.859971 0.676068 Fe\n0.537586 0.140029 0.676068 Fe\n0.963046 0.639649 0.176297 Fe\n0.036954 0.360351 0.176297 Fe\n0.500000 0.500000 0.113991 Fe\n0.000000 0.000000 0.613677 Fe\n0.500000 0.500000 0.886009 Fe\n0.000000 0.000000 0.386323 Fe\n0.932735 0.724420 0.372841 Fe\n0.067265 0.275580 0.372841 Fe\n0.567530 0.224306 0.872613 Fe\n0.432470 0.775694 0.872613 Fe\n0.067265 0.275580 0.627159 Fe\n0.932735 0.724420 0.627159 Fe\n0.432470 0.775694 0.127387 Fe\n0.567530 0.224306 0.127387 Fe\n0.724420 0.932735 0.372841 Fe\n0.275580 0.067265 0.372841 Fe\n0.224306 0.567530 0.872613 Fe\n0.775694 0.432470 0.872613 Fe\n0.275580 0.067265 0.627159 Fe\n0.724420 0.932735 0.627159 Fe\n0.775694 0.432470 0.127387 Fe\n0.224306 0.567530 0.127387 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.873994 0.873994 0.500000 B\n0.126006 0.126006 0.500000 B\n0.625991 0.374009 0.000000 B\n0.374009 0.625991 0.000000 B\n",
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{
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"structure_string": "Li16 Co8 P12 O48\n1.0\n8.745071 0.000000 0.000000\n0.000000 8.911967 0.000000\n0.000000 0.000000 12.172671\nLi Co P O\n16 8 12 48\ndirect\n0.427342 0.051488 0.711947 Li\n0.072658 0.051488 0.288053 Li\n0.761137 0.202787 0.820383 Li\n0.738863 0.202787 0.179617 Li\n0.261137 0.297213 0.679617 Li\n0.238863 0.297213 0.320383 Li\n0.927342 0.448512 0.788053 Li\n0.572658 0.448512 0.211947 Li\n0.427342 0.551488 0.788053 Li\n0.072658 0.551488 0.211947 Li\n0.761137 0.702787 0.679617 Li\n0.738863 0.702787 0.320383 Li\n0.261137 0.797213 0.820383 Li\n0.238863 0.797213 0.179617 Li\n0.927342 0.948512 0.711947 Li\n0.572658 0.948512 0.288053 Li\n0.042642 0.251056 0.105469 Co\n0.457358 0.251056 0.894531 Co\n0.957358 0.248944 0.605469 Co\n0.542642 0.248944 0.394531 Co\n0.457358 0.751056 0.605469 Co\n0.042642 0.751056 0.394531 Co\n0.957358 0.748944 0.894531 Co\n0.542642 0.748944 0.105469 Co\n0.250000 0.048693 0.500000 P\n0.750000 0.451307 0.000000 P\n0.250000 0.548693 0.000000 P\n0.750000 0.951307 0.500000 P\n0.104843 0.106342 0.849745 P\n0.395157 0.106342 0.150255 P\n0.604843 0.393658 0.650255 P\n0.895157 0.393658 0.349745 P\n0.104843 0.606342 0.650255 P\n0.395157 0.606342 0.349745 P\n0.604843 0.893658 0.849745 P\n0.895157 0.893658 0.150255 P\n0.857764 0.045200 0.573736 O\n0.642236 0.045200 0.426264 O\n0.591813 0.066470 0.832144 O\n0.908187 0.066470 0.167856 O\n0.161797 0.153522 0.580413 O\n0.338203 0.153522 0.419587 O\n0.266548 0.156497 0.810673 O\n0.233452 0.156497 0.189327 O\n0.075288 0.153576 0.967778 O\n0.424712 0.153576 0.032222 O\n0.976599 0.175949 0.775145 O\n0.523401 0.175949 0.224855 O\n0.476599 0.324051 0.724855 O\n0.023401 0.324051 0.275145 O\n0.575288 0.346424 0.532222 O\n0.924712 0.346424 0.467778 O\n0.733452 0.343503 0.310673 O\n0.766548 0.343503 0.689327 O\n0.661797 0.346478 0.919587 O\n0.838203 0.346478 0.080413 O\n0.091813 0.433530 0.667856 O\n0.408187 0.433530 0.332144 O\n0.357764 0.454800 0.926264 O\n0.142236 0.454800 0.073736 O\n0.642236 0.545200 0.073736 O\n0.857764 0.545200 0.926264 O\n0.591813 0.566470 0.667856 O\n0.908187 0.566470 0.332144 O\n0.161797 0.653522 0.919587 O\n0.338203 0.653522 0.080413 O\n0.266548 0.656497 0.689327 O\n0.233452 0.656497 0.310673 O\n0.075288 0.653576 0.532222 O\n0.424712 0.653576 0.467778 O\n0.976599 0.675949 0.724855 O\n0.523401 0.675949 0.275145 O\n0.476599 0.824051 0.775145 O\n0.023401 0.824051 0.224855 O\n0.575288 0.846424 0.967778 O\n0.924712 0.846424 0.032222 O\n0.766548 0.843503 0.810673 O\n0.733452 0.843503 0.189327 O\n0.661797 0.846478 0.580413 O\n0.838203 0.846478 0.419587 O\n0.091813 0.933530 0.832144 O\n0.408187 0.933530 0.167856 O\n0.357764 0.954800 0.573736 O\n0.142236 0.954800 0.426264 O\n",
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{
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}
]
}