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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10211",
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"results": [
{
"id": "mp-20156",
"created_at": "2022-09-04T14:42:06.530388Z",
"structure_string": "Na2 Nd2 Mn2 W2 O12\n1.0\n5.705781 0.000000 0.000000\n0.000000 5.584638 0.000000\n0.000000 0.013742 8.071377\nNa Nd Mn W O\n2 2 2 2 12\ndirect\n0.783980 0.251543 0.000819 Na\n0.283980 0.748457 0.999181 Na\n0.705522 0.238517 0.500765 Nd\n0.205522 0.761483 0.499235 Nd\n0.752434 0.748899 0.238892 Mn\n0.252434 0.251101 0.761108 Mn\n0.760048 0.742953 0.759184 W\n0.260048 0.257047 0.240816 W\n0.228393 0.167264 0.018912 O\n0.728393 0.832736 0.981088 O\n0.289060 0.345343 0.491733 O\n0.789060 0.654657 0.508267 O\n0.555871 0.420580 0.217480 O\n0.055871 0.579420 0.782520 O\n0.583218 0.454851 0.776545 O\n0.083218 0.545149 0.223455 O\n0.490149 0.943702 0.687078 O\n0.990149 0.056298 0.312922 O\n0.958725 0.024697 0.688206 O\n0.458725 0.975303 0.311794 O\n",
"nsites": 20,
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"elements": [
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"Nd",
"Mn",
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"O"
],
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"volume_molar": 7.744237532296325,
"formula_full": "Na2 Nd2 Mn2 W2 O12",
"formula_reduced": "NaNdMnWO6",
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"energy": -168.97908857,
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"spacegroup": 4
},
{
"id": "mp-1176004",
"created_at": "2022-09-04T14:40:29.324364Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.072383 0.000000 0.000000\n-1.535054 5.692493 0.000000\n-1.638595 -0.760948 9.845741\nLi Mn Co O\n9 2 5 16\ndirect\n0.500225 0.119682 0.876902 Li\n0.502474 0.631190 0.871117 Li\n0.500832 0.376963 0.621332 Li\n0.498929 0.872917 0.622999 Li\n0.498385 0.624291 0.373280 Li\n0.487590 0.124778 0.377052 Li\n0.504935 0.880219 0.129145 Li\n0.507005 0.363860 0.130548 Li\n0.998160 0.253111 0.249596 Li\n0.994811 0.995175 0.004471 Mn\n0.000063 0.252799 0.749105 Mn\n0.992577 0.489743 0.004884 Co\n0.004851 0.751622 0.751334 Co\n0.008270 0.500728 0.492837 Co\n0.999921 0.007663 0.494567 Co\n0.999851 0.751691 0.248020 Co\n0.221305 0.812112 0.931387 O\n0.216953 0.285915 0.947730 O\n0.230201 0.076147 0.681986 O\n0.236057 0.576671 0.691023 O\n0.236396 0.321654 0.441030 O\n0.230630 0.807754 0.424001 O\n0.213217 0.573576 0.175761 O\n0.218322 0.032447 0.183100 O\n0.773758 0.425323 0.824612 O\n0.773926 0.925409 0.820888 O\n0.786003 0.692539 0.571237 O\n0.763072 0.195246 0.562109 O\n0.781904 0.928508 0.317647 O\n0.778567 0.479683 0.306675 O\n0.761169 0.169747 0.059610 O\n0.779639 0.700836 0.064017 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.223041254652752,
"density_atomic": 0.11256076281215077,
"volume": 284.2908949844612,
"volume_molar": 5.350124332446261,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.56881264,
"energy_per_atom": -6.517775395,
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"band_gap": 0.5818999999999996,
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"updated_at": "2021-11-28T01:34:59.892000Z",
"spacegroup": 1
},
{
"id": "mp-1219881",
"created_at": "2022-09-04T14:43:59.901687Z",
"structure_string": "Rb2 Ti1 Fe2 Mo6 O24\n1.0\n8.601725 0.000000 0.000000\n-1.388568 8.499906 0.000000\n-1.380299 -1.634100 8.362214\nRb Ti Fe Mo O\n2 1 2 6 24\ndirect\n0.814890 0.815458 0.812696 Rb\n0.185110 0.184542 0.187304 Rb\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.787031 0.320096 0.770924 Mo\n0.770513 0.787079 0.320766 Mo\n0.320397 0.770450 0.787664 Mo\n0.212969 0.679904 0.229076 Mo\n0.229487 0.212921 0.679234 Mo\n0.679603 0.229550 0.212336 Mo\n0.825882 0.444484 0.625992 O\n0.625597 0.826436 0.445809 O\n0.447622 0.623843 0.831667 O\n0.174118 0.555516 0.374008 O\n0.374403 0.173564 0.554191 O\n0.552378 0.376157 0.168333 O\n0.692525 0.119896 0.666463 O\n0.661689 0.686660 0.118645 O\n0.120256 0.665248 0.692012 O\n0.307475 0.880104 0.333537 O\n0.338311 0.313340 0.881355 O\n0.879744 0.334752 0.307988 O\n0.966792 0.307792 0.889096 O\n0.889826 0.966003 0.308018 O\n0.306610 0.891167 0.965308 O\n0.033208 0.692208 0.110904 O\n0.110174 0.033997 0.691982 O\n0.693390 0.108833 0.034692 O\n0.661650 0.422238 0.891446 O\n0.889415 0.666074 0.421277 O\n0.420951 0.888454 0.665771 O\n0.338350 0.577762 0.108554 O\n0.110585 0.333926 0.578723 O\n0.579049 0.111546 0.334229 O\n",
"nsites": 35,
"nelements": 5,
"elements": [
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"Ti",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Rb-Ti",
"density": 3.50394794088274,
"density_atomic": 0.05724625621939182,
"volume": 611.3936929930444,
"volume_molar": 10.519711082800967,
"formula_full": "Rb2 Ti1 Fe2 Mo6 O24",
"formula_reduced": "Rb2TiFe2(MoO4)6",
"formula_anonymous": "AB2C2D6E24",
"energy": -284.76789207,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.295000Z",
"spacegroup": 2
},
{
"id": "mp-683891",
"created_at": "2022-09-04T14:41:50.559626Z",
"structure_string": "Mn2 Sb12 Pb8 S28\n1.0\n19.378503 0.000000 0.000000\n0.000000 4.036004 0.000000\n0.000000 0.563544 15.968923\nMn Sb Pb S\n2 12 8 28\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.437648 0.909354 0.682170 Sb\n0.340139 0.123099 0.870526 Sb\n0.549360 0.876962 0.896806 Sb\n0.450640 0.123038 0.103194 Sb\n0.562352 0.090646 0.317830 Sb\n0.937648 0.090646 0.817830 Sb\n0.159861 0.123099 0.370526 Sb\n0.062352 0.909354 0.182170 Sb\n0.950640 0.876962 0.396806 Sb\n0.840139 0.876901 0.629474 Sb\n0.659861 0.876901 0.129474 Sb\n0.049360 0.123038 0.603194 Sb\n0.360068 0.539441 0.314589 Pb\n0.860068 0.460559 0.185411 Pb\n0.260462 0.564373 0.072872 Pb\n0.139932 0.539441 0.814589 Pb\n0.239538 0.564373 0.572872 Pb\n0.760462 0.435627 0.427128 Pb\n0.739538 0.435627 0.927128 Pb\n0.639932 0.460559 0.685411 Pb\n0.956039 0.973971 0.096570 S\n0.600916 0.447793 0.003245 S\n0.840750 0.942150 0.318154 S\n0.503770 0.470156 0.786640 S\n0.297680 0.594793 0.777253 S\n0.399084 0.552207 0.996755 S\n0.899084 0.447793 0.503245 S\n0.730664 0.918847 0.551687 S\n0.202320 0.594793 0.277253 S\n0.797680 0.405207 0.722747 S\n0.395084 0.484100 0.583002 S\n0.702320 0.405207 0.222747 S\n0.996230 0.470156 0.286640 S\n0.496230 0.529844 0.213360 S\n0.100916 0.552207 0.496755 S\n0.104916 0.484100 0.083002 S\n0.769336 0.918847 0.051687 S\n0.340750 0.057850 0.181846 S\n0.269336 0.081153 0.448313 S\n0.159250 0.057850 0.681846 S\n0.604916 0.515900 0.416998 S\n0.456039 0.026029 0.403430 S\n0.895084 0.515900 0.916998 S\n0.230664 0.081153 0.948313 S\n0.003770 0.529844 0.713360 S\n0.043961 0.026029 0.903430 S\n0.659250 0.942150 0.818154 S\n0.543961 0.973971 0.596570 S\n",
"nsites": 50,
"nelements": 4,
"elements": [
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"Sb",
"Pb",
"S"
],
"chemical_system": "Mn-Pb-S-Sb",
"density": 5.4862384101812305,
"density_atomic": 0.04003340821653243,
"volume": 1248.9568644658066,
"volume_molar": 15.04278808196266,
"formula_full": "Mn2 Sb12 Pb8 S28",
"formula_reduced": "MnSb6(Pb2S7)2",
"formula_anonymous": "AB4C6D14",
"energy": -245.73768487,
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"energy_uncorrected": -231.65368487,
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"updated_at": "2021-11-28T01:35:33.530000Z",
"spacegroup": 14
},
{
"id": "mp-758737",
"created_at": "2022-09-04T14:47:15.538171Z",
"structure_string": "Li2 Fe2 P8 O24\n1.0\n9.170805 0.000000 0.000000\n0.000000 6.845936 0.000000\n0.000000 0.630435 7.167475\nLi Fe P O\n2 2 8 24\ndirect\n0.256475 0.737161 0.718208 Li\n0.756475 0.262839 0.281792 Li\n0.969982 0.730102 0.255130 Fe\n0.469982 0.269898 0.744870 Fe\n0.363387 0.030277 0.405815 P\n0.569183 0.939679 0.089126 P\n0.748073 0.578420 0.587525 P\n0.399012 0.570662 0.063385 P\n0.899012 0.429338 0.936615 P\n0.248073 0.421580 0.412475 P\n0.069183 0.060321 0.910874 P\n0.863387 0.969723 0.594185 P\n0.930918 0.983724 0.797352 O\n0.551259 0.038120 0.893036 O\n0.977188 0.877611 0.474752 O\n0.708809 0.955396 0.192549 O\n0.737037 0.803120 0.636904 O\n0.297693 0.840865 0.474136 O\n0.539771 0.707563 0.075678 O\n0.270094 0.675004 0.978626 O\n0.796337 0.569536 0.386129 O\n0.878982 0.493455 0.717096 O\n0.947343 0.612021 0.023036 O\n0.605167 0.482105 0.642116 O\n0.105167 0.517895 0.357884 O\n0.447343 0.387979 0.976963 O\n0.378982 0.506545 0.282904 O\n0.296337 0.430464 0.613871 O\n0.770094 0.324996 0.021374 O\n0.039771 0.292437 0.924322 O\n0.797693 0.159135 0.525864 O\n0.237037 0.196880 0.363096 O\n0.208809 0.044604 0.807451 O\n0.477188 0.122389 0.525248 O\n0.051259 0.961880 0.106964 O\n0.430918 0.016276 0.202648 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Li2 Fe2 P8 O24",
"formula_reduced": "LiFe(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -272.11597567,
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"updated_at": "2021-11-28T01:37:59.555000Z",
"spacegroup": 4
},
{
"id": "mp-1174178",
"created_at": "2022-09-04T14:45:42.054013Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n-2.916875 0.000000 0.000000\n1.455471 6.410024 0.000000\n-0.133256 -1.885672 -9.725549\nLi Mn Co O\n6 2 2 10\ndirect\n0.116437 0.202465 0.308759 Li\n0.905641 0.813397 0.704407 Li\n0.513383 0.011219 0.507201 Li\n0.293753 0.581574 0.888992 Li\n0.678164 0.392623 0.084029 Li\n0.610191 0.206976 0.803756 Li\n0.991664 0.009759 0.995733 Mn\n0.808407 0.596501 0.402128 Mn\n0.397261 0.798223 0.196807 Co\n0.195654 0.379272 0.615587 Co\n0.519849 0.083216 0.133714 O\n0.348926 0.685426 0.528692 O\n0.959760 0.877269 0.338902 O\n0.755057 0.505522 0.739406 O\n0.129261 0.277373 0.957373 O\n0.671141 0.325340 0.449748 O\n0.447082 0.911971 0.871978 O\n0.057748 0.110464 0.643005 O\n0.828978 0.716994 0.060723 O\n0.271644 0.514416 0.269060 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.10998625015467302,
"volume": 181.84091167645153,
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"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.98586079,
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"updated_at": "2021-11-28T01:37:16.276000Z",
"spacegroup": 1
},
{
"id": "mp-698695",
"created_at": "2022-09-04T14:41:35.484807Z",
"structure_string": "Ca1 Fe2 Sb2 P6 O24\n1.0\n7.879118 -4.221789 0.000000\n7.879118 4.221789 0.000000\n5.617000 0.000000 6.953655\nCa Fe Sb P O\n1 2 2 6 24\ndirect\n0.000000 0.000000 0.000000 Ca\n0.146891 0.146891 0.146891 Fe\n0.853109 0.853109 0.853109 Fe\n0.647843 0.647843 0.647843 Sb\n0.352157 0.352157 0.352157 Sb\n0.246672 0.540786 0.961588 P\n0.961588 0.246672 0.540786 P\n0.540786 0.961588 0.246672 P\n0.459214 0.038412 0.753328 P\n0.038412 0.753328 0.459214 P\n0.753328 0.459214 0.038412 P\n0.157481 0.224831 0.525762 O\n0.184540 0.540782 0.484339 O\n0.540782 0.484339 0.184540 O\n0.484339 0.184540 0.540782 O\n0.385162 0.989491 0.202055 O\n0.525762 0.157481 0.224831 O\n0.202055 0.385162 0.989491 O\n0.224831 0.525762 0.157481 O\n0.891327 0.253639 0.108318 O\n0.253639 0.108318 0.891327 O\n0.108318 0.891327 0.253639 O\n0.010509 0.797945 0.614838 O\n0.989491 0.202055 0.385162 O\n0.891682 0.108673 0.746361 O\n0.746361 0.891682 0.108673 O\n0.108673 0.746361 0.891682 O\n0.775169 0.474238 0.842519 O\n0.797945 0.614838 0.010509 O\n0.474238 0.842519 0.775169 O\n0.614838 0.010509 0.797945 O\n0.515661 0.815460 0.459218 O\n0.459218 0.515661 0.815460 O\n0.815460 0.459218 0.515661 O\n0.842519 0.775169 0.474238 O\n",
"nsites": 35,
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"elements": [
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"Sb",
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],
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"density": 3.46426755493031,
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"volume": 462.61239410698016,
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"formula_full": "Ca1 Fe2 Sb2 P6 O24",
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"updated_at": "2021-11-28T01:35:30.612000Z",
"spacegroup": 148
},
{
"id": "mp-26306",
"created_at": "2022-09-04T14:40:36.447777Z",
"structure_string": "Cr3 P4 O14\n1.0\n5.915311 0.000000 0.000000\n1.790346 6.813150 0.000000\n2.158760 0.685290 7.295612\nCr P O\n3 4 14\ndirect\n0.757971 0.528235 0.667785 Cr\n0.242029 0.471765 0.332215 Cr\n0.000000 0.000000 0.000000 Cr\n0.215493 0.697577 0.685764 P\n0.351622 0.325169 0.919649 P\n0.648378 0.674831 0.080351 P\n0.784507 0.302423 0.314236 P\n0.482434 0.678497 0.581153 O\n0.914882 0.384142 0.433329 O\n0.666511 0.680575 0.876141 O\n0.085118 0.615858 0.566671 O\n0.333489 0.319425 0.123859 O\n0.234804 0.177925 0.876574 O\n0.078780 0.895630 0.746337 O\n0.202921 0.546593 0.868049 O\n0.921220 0.104370 0.253663 O\n0.517566 0.321503 0.418847 O\n0.765196 0.822075 0.123426 O\n0.614725 0.312477 0.801913 O\n0.797079 0.453407 0.131951 O\n0.385275 0.687523 0.198087 O\n",
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"elements": [
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],
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"formula_full": "Cr3 P4 O14",
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