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{
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"results": [
{
"id": "mp-1204275",
"created_at": "2022-09-04T14:48:17.030873Z",
"structure_string": "H64 Pd4 C16 S16 N32 Cl8\n1.0\n8.431350 0.000000 0.000000\n0.000000 13.236051 0.000000\n0.000000 0.000000 15.441282\nH Pd C S N Cl\n64 4 16 16 32 8\ndirect\n0.513659 0.700685 0.781777 H\n0.486341 0.299315 0.281777 H\n0.013659 0.799315 0.281777 H\n0.986341 0.200685 0.781777 H\n0.592718 0.646369 0.688973 H\n0.407282 0.353631 0.188973 H\n0.092718 0.853631 0.188973 H\n0.907282 0.146369 0.688973 H\n0.113570 0.630702 0.728048 H\n0.886430 0.369298 0.228048 H\n0.613570 0.869298 0.228048 H\n0.386430 0.130702 0.728048 H\n0.235592 0.668770 0.814695 H\n0.764408 0.331230 0.314695 H\n0.735592 0.831230 0.314695 H\n0.264408 0.168770 0.814695 H\n0.679769 0.349389 0.644054 H\n0.320231 0.650611 0.144054 H\n0.179769 0.150611 0.144054 H\n0.820231 0.849389 0.644054 H\n0.694819 0.470441 0.602802 H\n0.305181 0.529559 0.102802 H\n0.194819 0.029559 0.102802 H\n0.805181 0.970441 0.602802 H\n0.414856 0.260065 0.484491 H\n0.585144 0.739935 0.984491 H\n0.914856 0.239935 0.984491 H\n0.085144 0.760065 0.484491 H\n0.528170 0.226374 0.575099 H\n0.471830 0.773626 0.075099 H\n0.028170 0.273626 0.075099 H\n0.971830 0.726374 0.575099 H\n0.352061 0.774770 0.380585 H\n0.647939 0.225230 0.880585 H\n0.852061 0.725230 0.880585 H\n0.147939 0.274770 0.380585 H\n0.375577 0.894500 0.336884 H\n0.624423 0.105500 0.836884 H\n0.875577 0.605500 0.836884 H\n0.124423 0.394500 0.336884 H\n0.439648 0.028804 0.432368 H\n0.560352 0.971196 0.932368 H\n0.939648 0.471196 0.932368 H\n0.060352 0.528804 0.432368 H\n0.535912 0.001189 0.529681 H\n0.464088 0.998811 0.029681 H\n0.035912 0.498811 0.029681 H\n0.964088 0.501189 0.529681 H\n0.454050 0.612249 0.311147 H\n0.545950 0.387751 0.811147 H\n0.954050 0.887751 0.811147 H\n0.045950 0.112249 0.311147 H\n0.542670 0.569335 0.215803 H\n0.457330 0.430665 0.715803 H\n0.042670 0.930665 0.715803 H\n0.957330 0.069335 0.215803 H\n0.818947 0.589194 0.196405 H\n0.181053 0.410806 0.696405 H\n0.318947 0.910806 0.696405 H\n0.681053 0.089194 0.196405 H\n0.938222 0.618081 0.286391 H\n0.061778 0.381919 0.786391 H\n0.438222 0.881919 0.786391 H\n0.561778 0.118081 0.286391 H\n0.509880 0.626298 0.501340 Pd\n0.490120 0.373702 0.001340 Pd\n0.009880 0.873702 0.001340 Pd\n0.990120 0.126298 0.501340 Pd\n0.349893 0.633975 0.699987 C\n0.650107 0.366025 0.199987 C\n0.849893 0.866025 0.199987 C\n0.150107 0.133975 0.699987 C\n0.543022 0.375850 0.536921 C\n0.456978 0.624150 0.036921 C\n0.043022 0.124150 0.036921 C\n0.956978 0.875850 0.536921 C\n0.459313 0.877256 0.461512 C\n0.540687 0.122744 0.961512 C\n0.959313 0.622744 0.961512 C\n0.040687 0.377256 0.461512 C\n0.697876 0.619546 0.309205 C\n0.302124 0.380454 0.809205 C\n0.197876 0.880454 0.809205 C\n0.802124 0.119546 0.309205 C\n0.314333 0.577792 0.600735 S\n0.685667 0.422208 0.100735 S\n0.814333 0.922208 0.100735 S\n0.185667 0.077792 0.600735 S\n0.499502 0.456555 0.452690 S\n0.500498 0.543445 0.952690 S\n0.999502 0.043445 0.952690 S\n0.000498 0.956555 0.452690 S\n0.497112 0.796709 0.547330 S\n0.502888 0.203291 0.047330 S\n0.997112 0.703291 0.047330 S\n0.002888 0.296709 0.547330 S\n0.722657 0.668990 0.411571 S\n0.277343 0.331010 0.911571 S\n0.222657 0.831010 0.911571 S\n0.777343 0.168990 0.411571 S\n0.494225 0.662210 0.725429 N\n0.505775 0.337790 0.225429 N\n0.994225 0.837790 0.225429 N\n0.005775 0.162210 0.725429 N\n0.224781 0.644149 0.752293 N\n0.775219 0.355851 0.252293 N\n0.724781 0.855851 0.252293 N\n0.275219 0.144149 0.752293 N\n0.633771 0.403726 0.604640 N\n0.366229 0.596274 0.104640 N\n0.133771 0.096274 0.104640 N\n0.866229 0.903726 0.604640 N\n0.485156 0.282266 0.534751 N\n0.514844 0.717734 0.034751 N\n0.985156 0.217734 0.034751 N\n0.014844 0.782266 0.534751 N\n0.401985 0.845131 0.385556 N\n0.598015 0.154869 0.885556 N\n0.901985 0.654869 0.885556 N\n0.098015 0.345131 0.385556 N\n0.487765 0.975419 0.473090 N\n0.512235 0.024581 0.973090 N\n0.987765 0.524581 0.973090 N\n0.012235 0.475419 0.473090 N\n0.555281 0.597330 0.277004 N\n0.444719 0.402670 0.777004 N\n0.055281 0.902670 0.777004 N\n0.944719 0.097330 0.277004 N\n0.827202 0.607310 0.260348 N\n0.172798 0.392690 0.760348 N\n0.327202 0.892690 0.760348 N\n0.672798 0.107310 0.260348 N\n0.174406 0.651182 0.347163 Cl\n0.825594 0.348818 0.847163 Cl\n0.674406 0.848818 0.847163 Cl\n0.325594 0.151182 0.347163 Cl\n0.863767 0.606357 0.657633 Cl\n0.136233 0.393643 0.157633 Cl\n0.363767 0.893643 0.157633 Cl\n0.636233 0.106357 0.657633 Cl\n",
"nsites": 140,
"nelements": 6,
"elements": [
"H",
"Pd",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Pd-S",
"density": 1.8571436139358481,
"density_atomic": 0.08124359478059627,
"volume": 1723.2127699184077,
"volume_molar": 7.412449899912961,
"formula_full": "H64 Pd4 C16 S16 N32 Cl8",
"formula_reduced": "H16PdC4S4(N4Cl)2",
"formula_anonymous": "AB2C4D4E8F16",
"energy": -799.64406235,
"energy_per_atom": -5.7117433025,
"energy_above_hull": null,
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"energy_uncorrected": -775.13206235,
"band_gap": 2.0399,
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"total_magnetization": 0.0007301,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:38.085000Z",
"spacegroup": 33
},
{
"id": "mp-772636",
"created_at": "2022-09-04T14:48:20.515621Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.535819 0.000000 0.000000\n0.123896 8.568154 0.000000\n0.014720 0.735574 10.088602\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.500071 0.744053 0.371718 Na\n0.499929 0.255947 0.628282 Na\n0.765627 0.908471 0.121773 Li\n0.770560 0.913181 0.625969 Li\n0.977274 0.723025 0.377752 Li\n0.976070 0.723459 0.877439 Li\n0.517363 0.728451 0.874379 Li\n0.482637 0.271549 0.125621 Li\n0.023930 0.276541 0.122561 Li\n0.022726 0.276975 0.622248 Li\n0.229440 0.086819 0.374031 Li\n0.234373 0.091529 0.878227 Li\n0.246839 0.663581 0.103800 Fe\n0.244664 0.658461 0.608691 Fe\n0.755336 0.341539 0.391309 Fe\n0.753161 0.336419 0.896200 Fe\n0.752687 0.588827 0.141918 P\n0.755178 0.589779 0.645796 P\n0.244822 0.410221 0.354204 P\n0.247313 0.411173 0.858082 P\n0.247011 0.966470 0.141588 C\n0.239787 0.959000 0.647079 C\n0.760213 0.041000 0.352921 C\n0.752989 0.033530 0.858412 C\n0.778533 0.897733 0.321581 O\n0.745767 0.888107 0.830762 O\n0.247178 0.925565 0.020579 O\n0.250794 0.923834 0.524323 O\n0.238488 0.857592 0.238678 O\n0.246440 0.846519 0.741926 O\n0.933243 0.689579 0.082814 O\n0.560282 0.690671 0.099394 O\n0.930361 0.701497 0.594664 O\n0.556761 0.679710 0.600111 O\n0.770742 0.571563 0.295798 O\n0.225122 0.572168 0.410940 O\n0.758493 0.569668 0.800961 O\n0.253719 0.576338 0.910053 O\n0.746281 0.423662 0.089947 O\n0.241507 0.430332 0.199039 O\n0.774878 0.427832 0.589060 O\n0.229258 0.428437 0.704202 O\n0.443239 0.320290 0.399889 O\n0.069639 0.298503 0.405336 O\n0.439718 0.309329 0.900606 O\n0.066757 0.310421 0.917186 O\n0.753560 0.153481 0.258074 O\n0.761512 0.142408 0.761322 O\n0.749206 0.076166 0.475677 O\n0.752822 0.074435 0.979421 O\n0.254233 0.111893 0.169238 O\n0.221467 0.102267 0.678419 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8177943306571493,
"density_atomic": 0.09204179382343125,
"volume": 564.9607405496074,
"volume_molar": 6.542832891276107,
"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
"formula_reduced": "NaLi5Fe2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.64441225,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.660000Z",
"spacegroup": 2
},
{
"id": "mp-1234742",
"created_at": "2022-09-04T14:48:17.956613Z",
"structure_string": "Mg1 Al2 H4 Pb2 O4 F6\n1.0\n7.282251 -0.175067 -2.252633\n-2.383769 6.792517 -0.072249\n-0.256200 -0.056807 5.141540\nMg Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.563186 0.113537 0.150355 Mg\n0.194603 0.688713 0.165266 Al\n0.823492 0.337834 0.833617 Al\n0.158219 0.434864 0.766522 H\n0.870376 0.538108 0.283880 H\n0.135871 0.866062 0.743842 H\n0.929272 0.155383 0.238135 H\n0.750197 0.792725 0.787511 Pb\n0.270778 0.207632 0.329918 Pb\n0.102941 0.446260 0.908921 O\n0.911351 0.557476 0.120871 O\n0.093291 0.854048 0.905322 O\n0.809871 0.132499 0.062393 O\n0.232294 0.864145 0.453229 F\n0.747661 0.135620 0.550774 F\n0.328233 0.572006 0.440928 F\n0.770829 0.493782 0.555460 F\n0.437965 0.819226 0.120642 F\n0.557070 0.277118 0.819915 F\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "Al-F-H-Mg-O-Pb",
"density": 4.518955342803404,
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"volume": 247.92135755379846,
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"formula_full": "Mg1 Al2 H4 Pb2 O4 F6",
"formula_reduced": "MgAl2H4Pb2(O2F3)2",
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"energy": -106.89824348,
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"updated_at": "2021-11-28T01:39:00.744000Z",
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},
{
"id": "mp-697077",
"created_at": "2022-09-04T14:48:17.193036Z",
"structure_string": "As2 H6 C2 N2 O2 F18\n1.0\n5.255279 0.000000 0.000000\n-2.062583 8.225524 0.000000\n-0.627639 -0.183767 8.921580\nAs H C N O F\n2 6 2 2 2 18\ndirect\n0.985346 0.748330 0.661355 As\n0.014654 0.251670 0.338645 As\n0.365509 0.707655 0.359190 H\n0.634491 0.292345 0.640810 H\n0.606153 0.868370 0.307103 H\n0.393847 0.131630 0.692897 H\n0.561514 0.543813 0.255701 H\n0.438486 0.456187 0.744299 H\n0.314471 0.776981 0.132676 C\n0.685529 0.223019 0.867324 C\n0.484678 0.754716 0.272602 N\n0.515322 0.245284 0.727398 N\n0.654977 0.657107 0.238278 O\n0.345023 0.342893 0.761722 O\n0.132885 0.757026 0.486956 F\n0.867115 0.242974 0.513044 F\n0.205022 0.939894 0.716963 F\n0.794978 0.060106 0.283037 F\n0.764938 0.557516 0.606648 F\n0.235062 0.442484 0.393352 F\n0.758142 0.850510 0.577638 F\n0.241858 0.149490 0.422362 F\n0.218801 0.646895 0.738470 F\n0.781199 0.353105 0.261530 F\n0.842096 0.741914 0.833475 F\n0.157904 0.258086 0.166525 F\n0.472640 0.833486 0.025162 F\n0.527360 0.166514 0.974838 F\n0.176299 0.883237 0.167200 F\n0.823701 0.116763 0.832800 F\n0.157158 0.632315 0.092755 F\n0.842842 0.367685 0.907245 F\n",
"nsites": 32,
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"elements": [
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"C",
"N",
"O",
"F"
],
"chemical_system": "As-C-F-H-N-O",
"density": 2.505492563894198,
"density_atomic": 0.08297530411913955,
"volume": 385.6569173166634,
"volume_molar": 7.257750753589464,
"formula_full": "As2 H6 C2 N2 O2 F18",
"formula_reduced": "AsH3CNOF9",
"formula_anonymous": "ABCDE3F9",
"energy": -167.32265797,
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"energy_uncorrected": -156.91065797,
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"updated_at": "2021-11-28T01:38:52.096000Z",
"spacegroup": 2
},
{
"id": "mp-1205248",
"created_at": "2022-09-04T14:48:19.897369Z",
"structure_string": "K12 H12 Pt4 S8 Br8 O28\n1.0\n7.139833 0.000000 0.000000\n0.000000 8.866062 0.000000\n0.000000 3.672194 21.683405\nK H Pt S Br O\n12 12 4 8 8 28\ndirect\n0.594534 0.645359 0.238467 K\n0.094534 0.354641 0.261533 K\n0.405466 0.354641 0.761533 K\n0.905466 0.645359 0.738467 K\n0.631390 0.728787 0.010059 K\n0.131390 0.271213 0.489941 K\n0.368610 0.271213 0.989941 K\n0.868610 0.728787 0.510059 K\n0.103490 0.886167 0.129958 K\n0.603490 0.113833 0.370042 K\n0.896510 0.113833 0.870042 K\n0.396510 0.886167 0.629958 K\n0.533564 0.965238 0.781302 H\n0.033564 0.034762 0.718698 H\n0.466436 0.034762 0.218698 H\n0.966436 0.965238 0.281302 H\n0.249803 0.556804 0.064314 H\n0.749803 0.443196 0.435686 H\n0.750197 0.443196 0.935686 H\n0.250197 0.556804 0.564314 H\n0.393415 0.465100 0.109707 H\n0.893415 0.534900 0.390293 H\n0.606585 0.534900 0.890293 H\n0.106585 0.465100 0.609707 H\n0.273246 0.782667 0.872268 Pt\n0.773246 0.217333 0.627732 Pt\n0.726754 0.217333 0.127732 Pt\n0.226754 0.782667 0.372268 Pt\n0.426701 0.725339 0.788994 S\n0.926701 0.274661 0.711006 S\n0.573299 0.274661 0.211006 S\n0.073299 0.725339 0.288994 S\n0.416920 0.011439 0.875380 S\n0.916920 0.988561 0.624620 S\n0.583080 0.988561 0.124620 S\n0.083080 0.011439 0.375380 S\n0.113426 0.524662 0.878626 Br\n0.613426 0.475338 0.621374 Br\n0.886574 0.475338 0.121374 Br\n0.386574 0.524662 0.378626 Br\n0.099748 0.818445 0.968506 Br\n0.599748 0.181555 0.531494 Br\n0.900252 0.181555 0.031494 Br\n0.400252 0.818445 0.468506 Br\n0.281442 0.135802 0.880790 O\n0.781442 0.864198 0.619210 O\n0.718558 0.864198 0.119210 O\n0.218558 0.135802 0.380790 O\n0.529837 0.868110 0.752384 O\n0.029837 0.131890 0.747616 O\n0.470163 0.131890 0.247616 O\n0.970163 0.868110 0.252384 O\n0.303710 0.671461 0.742817 O\n0.803710 0.328539 0.757183 O\n0.696290 0.328539 0.257183 O\n0.196290 0.671461 0.242817 O\n0.575009 0.609549 0.809763 O\n0.075009 0.390451 0.690237 O\n0.424991 0.390451 0.190237 O\n0.924991 0.609549 0.309763 O\n0.528095 0.065741 0.814949 O\n0.028095 0.934259 0.685051 O\n0.471905 0.934259 0.185051 O\n0.971905 0.065741 0.314949 O\n0.556085 0.994146 0.926135 O\n0.056085 0.005854 0.573865 O\n0.443915 0.005854 0.073865 O\n0.943915 0.994146 0.426135 O\n0.376637 0.515914 0.066291 O\n0.876637 0.484086 0.433709 O\n0.623363 0.484086 0.933709 O\n0.123363 0.515914 0.566291 O\n",
"nsites": 72,
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"elements": [
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"H",
"Pt",
"S",
"Br",
"O"
],
"chemical_system": "Br-H-K-O-Pt-S",
"density": 3.151869436400998,
"density_atomic": 0.05245491614300176,
"volume": 1372.6072843909376,
"volume_molar": 11.480603159449412,
"formula_full": "K12 H12 Pt4 S8 Br8 O28",
"formula_reduced": "K3H3PtS2Br2O7",
"formula_anonymous": "AB2C2D3E3F7",
"energy": -379.97688022,
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"updated_at": "2021-11-28T01:38:46.532000Z",
"spacegroup": 14
},
{
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"updated_at": "2021-11-28T01:38:56.924000Z",
"spacegroup": 1
},
{
"id": "mp-764867",
"created_at": "2022-09-04T14:48:20.086264Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.092229 0.000000 0.000000\n0.000000 10.461450 0.000000\n0.000000 0.013109 14.279335\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.750601 0.998190 0.667001 Li\n0.249549 0.999066 0.999552 Li\n0.750451 0.999066 0.999552 Li\n0.249767 0.999160 0.333478 Li\n0.750233 0.999160 0.333478 Li\n0.249399 0.998190 0.667001 Li\n0.249772 0.502042 0.500488 Li\n0.750228 0.502042 0.500488 Li\n0.249637 0.500560 0.166622 Li\n0.750363 0.500560 0.166622 Li\n0.249186 0.501425 0.833438 Li\n0.750814 0.501425 0.833438 Li\n0.500000 0.217820 0.493442 Mn\n0.500000 0.218026 0.826233 Mn\n0.000000 0.280648 0.326289 Mn\n0.500000 0.719597 0.007444 Mn\n0.500000 0.219652 0.159761 Fe\n0.000000 0.281612 0.659071 Fe\n0.000000 0.281201 0.992679 Fe\n0.500000 0.720217 0.340788 Fe\n0.500000 0.720745 0.673188 Co\n0.000000 0.779060 0.838670 Co\n0.000000 0.778483 0.507360 Co\n0.000000 0.779843 0.173012 Co\n0.000000 0.093097 0.804893 P\n0.000000 0.093324 0.138625 P\n0.000000 0.091198 0.472942 P\n0.500000 0.407531 0.304604 P\n0.500000 0.408509 0.640123 P\n0.500000 0.405766 0.973452 P\n0.000000 0.596809 0.361299 P\n0.000000 0.594773 0.028476 P\n0.000000 0.596302 0.693957 P\n0.500000 0.904505 0.859515 P\n0.500000 0.905411 0.194489 P\n0.500000 0.903047 0.527755 P\n0.500000 0.042345 0.236101 O\n0.500000 0.039605 0.569788 O\n0.500000 0.040896 0.902296 O\n0.000000 0.096538 0.580227 O\n0.000000 0.097760 0.912387 O\n0.000000 0.095050 0.246034 O\n0.202140 0.164246 0.094717 O\n0.797860 0.164246 0.094717 O\n0.201466 0.161406 0.427783 O\n0.798534 0.161406 0.427783 O\n0.200934 0.163495 0.759363 O\n0.799066 0.163495 0.759363 O\n0.702560 0.337214 0.596552 O\n0.297440 0.337214 0.596552 O\n0.700181 0.336634 0.259481 O\n0.299819 0.336634 0.259481 O\n0.702975 0.335054 0.930027 O\n0.297025 0.335054 0.930027 O\n0.500000 0.404041 0.412036 O\n0.500000 0.404008 0.080688 O\n0.500000 0.405971 0.747410 O\n0.000000 0.459790 0.403195 O\n0.000000 0.456732 0.068393 O\n0.000000 0.459103 0.735070 O\n0.500000 0.545430 0.264634 O\n0.500000 0.541944 0.930683 O\n0.500000 0.545405 0.597960 O\n0.000000 0.597825 0.253598 O\n0.000000 0.598868 0.920715 O\n0.000000 0.598547 0.586370 O\n0.200840 0.664698 0.074103 O\n0.202079 0.667382 0.405435 O\n0.202872 0.667535 0.738607 O\n0.797128 0.667535 0.738607 O\n0.799160 0.664698 0.074103 O\n0.797921 0.667382 0.405435 O\n0.704314 0.834636 0.903066 O\n0.295686 0.834636 0.903066 O\n0.702945 0.834585 0.238340 O\n0.702972 0.832016 0.571946 O\n0.297055 0.834585 0.238340 O\n0.297028 0.832016 0.571946 O\n0.500000 0.903178 0.752039 O\n0.500000 0.902288 0.420480 O\n0.500000 0.905193 0.086879 O\n0.000000 0.954979 0.765211 O\n0.000000 0.955223 0.096982 O\n0.000000 0.953413 0.432760 O\n",
"nsites": 84,
"nelements": 6,
"elements": [
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"Mn",
"Fe",
"Co",
"P",
"O"
],
"chemical_system": "Co-Fe-Li-Mn-O-P",
"density": 3.4700912309800946,
"density_atomic": 0.09230031863416502,
"volume": 910.0726979387409,
"volume_molar": 6.524507010500071,
"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "Li3MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E3F12",
"energy": -632.45189599,
"energy_per_atom": -7.52918923797619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -577.22789599,
"band_gap": 2.0843000000000003,
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"is_magnetic": true,
"total_magnetization": 48.0010106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.726000Z",
"spacegroup": 6
},
{
"id": "mp-1233189",
"created_at": "2022-09-04T14:48:20.229746Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.996379 -0.063267 -0.042197\n4.522111 -7.481475 0.033240\n4.520938 -2.474766 -7.057128\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.123699 0.625742 0.630896 Mg\n0.569973 0.142690 0.143886 V\n0.002275 0.997488 0.996664 Cr\n0.526087 0.494487 0.491396 Cr\n0.758737 0.748857 0.743663 Fe\n0.413143 0.860066 0.863834 Fe\n0.959037 0.346909 0.348084 Fe\n0.256189 0.243971 0.542010 P\n0.277253 0.946781 0.249589 P\n0.264029 0.536190 0.955793 P\n0.764056 0.442078 0.046228 P\n0.750089 0.055451 0.743486 P\n0.772170 0.746656 0.436440 P\n0.096662 0.094669 0.329316 O\n0.088716 0.488694 0.098252 O\n0.087323 0.313481 0.492402 O\n0.229215 0.081410 0.739752 O\n0.440842 0.161111 0.387999 O\n0.286130 0.393984 0.552216 O\n0.256245 0.938690 0.088697 O\n0.312810 0.748314 0.400822 O\n0.590118 0.609974 0.995831 O\n0.308098 0.544126 0.756377 O\n0.774973 0.251887 0.058510 O\n0.581774 0.007079 0.794880 O\n0.449693 0.000365 0.173480 O\n0.231110 0.733642 0.951956 O\n0.749265 0.427787 0.236355 O\n0.437503 0.386361 0.014356 O\n0.742557 0.245716 0.580204 O\n0.750595 0.076409 0.909085 O\n0.766998 0.584966 0.418078 O\n0.593655 0.803295 0.607512 O\n0.777262 0.913712 0.244179 O\n0.936309 0.701584 0.484797 O\n0.932898 0.493551 0.876260 O\n0.923760 0.882139 0.694840 O\n",
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"elements": [
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"P",
"O"
],
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"volume": 472.7448507778858,
"volume_molar": 7.694421716080065,
"formula_full": "Mg1 V1 Cr2 Fe3 P6 O24",
"formula_reduced": "MgVCr2Fe3(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -296.95309118,
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"updated_at": "2021-11-28T01:38:53.165000Z",
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}
]
}