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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10238",
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"results": [
{
"id": "mp-1222021",
"created_at": "2022-09-04T14:45:27.220520Z",
"structure_string": "Mn2 Cu10 Sb4 S13\n1.0\n-5.177812 5.177812 5.319865\n5.177812 -5.177812 5.319865\n5.177812 5.177812 -5.319865\nMn Cu Sb S\n2 10 4 13\ndirect\n0.777622 0.777622 0.000000 Mn\n0.222378 0.222378 0.000000 Mn\n0.752400 0.500000 0.252400 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.247600 0.747600 Cu\n0.500000 0.752400 0.252400 Cu\n0.750000 0.250000 0.500000 Cu\n0.247600 0.500000 0.747600 Cu\n0.000000 0.778185 0.778185 Cu\n0.778185 0.000000 0.778185 Cu\n0.000000 0.221815 0.221815 Cu\n0.221815 0.000000 0.221815 Cu\n0.465762 0.465762 0.458008 Sb\n0.007754 0.007754 0.541992 Sb\n0.992246 0.534238 0.000000 Sb\n0.534238 0.992246 0.000000 Sb\n0.000000 0.000000 0.000000 S\n0.511635 0.511635 0.762988 S\n0.770966 0.519611 0.521948 S\n0.519611 0.770966 0.521948 S\n0.748648 0.748648 0.237012 S\n0.997662 0.249018 0.478052 S\n0.249018 0.997662 0.478052 S\n0.251352 0.488365 0.000000 S\n0.002338 0.480389 0.251356 S\n0.750982 0.229034 0.748644 S\n0.488365 0.251352 0.000000 S\n0.229034 0.750982 0.748644 S\n0.480389 0.002338 0.251356 S\n",
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"Cu",
"Sb",
"S"
],
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"density": 4.800371173297119,
"density_atomic": 0.0508328944883382,
"volume": 570.4967283862425,
"volume_molar": 11.846936556763586,
"formula_full": "Mn2 Cu10 Sb4 S13",
"formula_reduced": "Mn2Cu10Sb4S13",
"formula_anonymous": "A2B4C10D13",
"energy": -143.19061871,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.605000Z",
"spacegroup": 121
},
{
"id": "mp-863857",
"created_at": "2022-09-04T14:46:54.739732Z",
"structure_string": "Mn3 Co3 Sb2 O16\n1.0\n-5.830813 0.000000 0.000000\n2.882145 5.083803 0.000000\n-0.017371 -0.088398 -9.274670\nMn Co Sb O\n3 3 2 16\ndirect\n0.337194 0.171277 0.212531 Mn\n0.170050 0.337485 0.714072 Mn\n0.170905 0.832082 0.713372 Mn\n0.833195 0.176218 0.215492 Co\n0.829028 0.669566 0.206904 Co\n0.667153 0.833920 0.709299 Co\n0.671935 0.334016 0.489668 Sb\n0.337122 0.671395 0.991991 Sb\n0.838002 0.166631 0.601539 O\n0.963865 0.466615 0.336298 O\n0.663047 0.316303 0.108746 O\n0.000383 0.016874 0.307131 O\n0.011803 0.007124 0.810602 O\n0.840449 0.671090 0.598016 O\n0.521542 0.037057 0.333574 O\n0.513688 0.471885 0.340329 O\n0.675825 0.845001 0.099407 O\n0.330520 0.162209 0.601464 O\n0.471138 0.509796 0.840932 O\n0.469569 0.960355 0.839576 O\n0.316639 0.655551 0.606494 O\n0.164185 0.329389 0.100789 O\n0.035835 0.519989 0.835394 O\n0.166928 0.837973 0.102097 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Mn-O-Sb",
"density": 5.080341329590033,
"density_atomic": 0.08729612159368694,
"volume": 274.9263032750315,
"volume_molar": 6.89852040395287,
"formula_full": "Mn3 Co3 Sb2 O16",
"formula_reduced": "Mn3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -173.64533176999998,
"energy_per_atom": -7.235222157083332,
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"energy_uncorrected": -152.73533177,
"band_gap": 0.2557,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.786000Z",
"spacegroup": 1
},
{
"id": "mp-777909",
"created_at": "2022-09-04T14:41:07.127933Z",
"structure_string": "Li4 Cr4 P6 O24\n1.0\n4.338254 7.452974 0.000000\n-4.338254 7.452974 0.000000\n0.000000 5.057699 7.071433\nLi Cr P O\n4 4 6 24\ndirect\n0.676302 0.824995 0.447141 Li\n0.175005 0.323698 0.052859 Li\n0.824995 0.676302 0.947141 Li\n0.323698 0.175005 0.552859 Li\n0.861047 0.361106 0.421225 Cr\n0.638894 0.138953 0.078775 Cr\n0.361106 0.861047 0.921225 Cr\n0.138953 0.638894 0.578775 Cr\n0.965816 0.034184 0.250000 P\n0.034184 0.965816 0.750000 P\n0.538509 0.746917 0.247975 P\n0.253083 0.461491 0.252025 P\n0.746917 0.538509 0.747975 P\n0.461491 0.253083 0.752025 P\n0.865755 0.991815 0.930225 O\n0.700060 0.371659 0.922222 O\n0.951362 0.222297 0.247422 O\n0.472469 0.203572 0.943573 O\n0.991815 0.865755 0.430225 O\n0.777703 0.048638 0.252578 O\n0.730211 0.581511 0.243591 O\n0.562027 0.908993 0.258516 O\n0.418490 0.269789 0.256409 O\n0.796428 0.527531 0.556427 O\n0.908993 0.562027 0.758516 O\n0.628341 0.299940 0.577778 O\n0.371659 0.700060 0.422222 O\n0.091007 0.437973 0.241484 O\n0.203572 0.472469 0.443573 O\n0.581510 0.730211 0.743591 O\n0.437973 0.091007 0.741484 O\n0.269789 0.418490 0.756409 O\n0.222297 0.951362 0.747422 O\n0.008185 0.134245 0.569775 O\n0.527531 0.796428 0.056427 O\n0.048638 0.777703 0.752578 O\n0.299940 0.628341 0.077778 O\n0.134245 0.008185 0.069775 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9253236098007425,
"density_atomic": 0.08310010795704412,
"volume": 457.2797910159498,
"volume_molar": 7.246850705793245,
"formula_full": "Li4 Cr4 P6 O24",
"formula_reduced": "Li2Cr2(PO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -294.91883511,
"energy_per_atom": -7.761021976578947,
"energy_above_hull": null,
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"energy_uncorrected": -270.43483511,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:15.859000Z",
"spacegroup": 15
},
{
"id": "mp-1221962",
"created_at": "2022-09-04T14:44:56.988040Z",
"structure_string": "Na12 Ca3 Fe2 Si12 O36\n1.0\n10.381003 0.000000 0.000000\n0.000000 7.497463 0.000000\n0.000000 0.004526 10.585321\nNa Ca Fe Si O\n12 3 2 12 36\ndirect\n0.230789 0.489078 0.254165 Na\n0.254339 0.517664 0.734451 Na\n0.205292 0.947962 0.235475 Na\n0.240274 0.016163 0.767462 Na\n0.745661 0.517664 0.734451 Na\n0.769211 0.489078 0.254165 Na\n0.759726 0.016163 0.767462 Na\n0.794708 0.947962 0.235475 Na\n0.000000 0.566537 0.432745 Na\n0.500000 0.000778 0.004721 Na\n0.500000 0.003394 0.499826 Na\n0.000000 0.553745 0.023907 Na\n0.000000 0.266805 0.762999 Ca\n0.500000 0.241703 0.260642 Ca\n0.500000 0.756530 0.736450 Ca\n0.500000 0.498812 0.499403 Fe\n0.000000 0.997039 0.002978 Fe\n0.000000 0.238682 0.280871 Si\n0.000000 0.755777 0.721982 Si\n0.500000 0.746313 0.222463 Si\n0.500000 0.253050 0.779746 Si\n0.235763 0.783218 0.510787 Si\n0.231935 0.212973 0.495358 Si\n0.267204 0.282412 0.993160 Si\n0.271394 0.715843 0.004551 Si\n0.768065 0.212973 0.495358 Si\n0.764237 0.783218 0.510787 Si\n0.728606 0.715843 0.004551 Si\n0.732796 0.282412 0.993160 Si\n0.139317 0.817982 0.039567 O\n0.136036 0.187087 0.943017 O\n0.364527 0.312315 0.447456 O\n0.367590 0.684776 0.560855 O\n0.863964 0.187087 0.943017 O\n0.860683 0.817982 0.039567 O\n0.632410 0.684776 0.560855 O\n0.635473 0.312315 0.447456 O\n0.178795 0.717083 0.380498 O\n0.170601 0.278986 0.626727 O\n0.331832 0.212688 0.122405 O\n0.339027 0.777073 0.874714 O\n0.829399 0.278986 0.626727 O\n0.821205 0.717083 0.380498 O\n0.660973 0.777073 0.874714 O\n0.668168 0.212688 0.122405 O\n0.271994 0.999135 0.510135 O\n0.235355 0.499613 0.001434 O\n0.728006 0.999135 0.510135 O\n0.764645 0.499613 0.001434 O\n0.000000 0.434297 0.222273 O\n0.000000 0.568514 0.796805 O\n0.500000 0.937733 0.290238 O\n0.500000 0.060943 0.712371 O\n0.371742 0.740524 0.126294 O\n0.371461 0.259085 0.873765 O\n0.129730 0.223139 0.375052 O\n0.130546 0.758558 0.629694 O\n0.628539 0.259085 0.873765 O\n0.628258 0.740524 0.126294 O\n0.869454 0.758558 0.629694 O\n0.870270 0.223139 0.375052 O\n0.500000 0.565583 0.308713 O\n0.500000 0.432545 0.693227 O\n0.000000 0.070126 0.185189 O\n0.000000 0.940678 0.803307 O\n",
"nsites": 65,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Na-O-Si",
"density": 2.863690553791447,
"density_atomic": 0.07889612556189911,
"volume": 823.868086513365,
"volume_molar": 7.632999361008219,
"formula_full": "Na12 Ca3 Fe2 Si12 O36",
"formula_reduced": "Na12Ca3Fe2(SiO3)12",
"formula_anonymous": "A2B3C12D12E36",
"energy": -468.20906917,
"energy_per_atom": -7.203216448769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -438.96506917,
"band_gap": 2.6023,
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"total_magnetization": 10.0014637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.781000Z",
"spacegroup": 6
},
{
"id": "mp-778794",
"created_at": "2022-09-04T14:39:22.232652Z",
"structure_string": "V3 Cr2 Sb3 O16\n1.0\n3.029810 5.317124 0.000000\n-3.029810 5.317124 0.000000\n0.000000 0.004716 9.114697\nV Cr Sb O\n3 2 3 16\ndirect\n0.831681 0.831681 0.792219 V\n0.166722 0.666317 0.291329 V\n0.666317 0.166722 0.291329 V\n0.669497 0.669497 0.510668 Cr\n0.338764 0.338764 0.015386 Cr\n0.334046 0.830993 0.788653 Sb\n0.830993 0.334046 0.788653 Sb\n0.168618 0.168618 0.290351 Sb\n0.335384 0.829521 0.393439 O\n0.521284 0.521284 0.653573 O\n0.659585 0.659585 0.909025 O\n0.002820 0.002820 0.678441 O\n0.999477 0.999477 0.187624 O\n0.829521 0.335384 0.393439 O\n0.519718 0.951269 0.661907 O\n0.951269 0.519718 0.661907 O\n0.166006 0.166006 0.900548 O\n0.834558 0.834558 0.388983 O\n0.051548 0.480727 0.161092 O\n0.480727 0.051548 0.161092 O\n0.333232 0.333232 0.404525 O\n0.169911 0.666726 0.894208 O\n0.471206 0.471206 0.171640 O\n0.666726 0.169911 0.894208 O\n",
"nsites": 24,
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"elements": [
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"Cr",
"Sb",
"O"
],
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"density": 4.965034602860382,
"density_atomic": 0.08172347531454345,
"volume": 293.6732671686685,
"volume_molar": 7.3689239680783665,
"formula_full": "V3 Cr2 Sb3 O16",
"formula_reduced": "V3Cr2Sb3O16",
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"energy": -189.15662619,
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"updated_at": "2021-11-28T01:34:27.765000Z",
"spacegroup": 8
},
{
"id": "mp-1223701",
"created_at": "2022-09-04T14:41:51.457790Z",
"structure_string": "K1 Rb1 Mn2 Ga4 P6 H8 O28\n1.0\n6.530511 5.177933 -2.167640\n6.530511 -5.177933 -2.167640\n-0.004582 0.000000 -8.980993\nK Rb Mn Ga P H O\n1 1 2 4 6 8 28\ndirect\n0.360376 0.639624 0.250000 K\n0.639363 0.360637 0.750000 Rb\n0.717448 0.282552 0.250000 Mn\n0.282451 0.717549 0.750000 Mn\n0.754911 0.904034 0.071531 Ga\n0.095966 0.245089 0.428469 Ga\n0.245181 0.095799 0.928705 Ga\n0.904201 0.754819 0.571295 Ga\n0.000400 0.999600 0.750000 P\n0.000556 0.999444 0.250000 P\n0.836493 0.583249 0.324588 P\n0.416751 0.163507 0.175412 P\n0.162588 0.417045 0.675194 P\n0.582955 0.837412 0.824806 P\n0.466535 0.219535 0.503549 H\n0.780465 0.533465 0.996451 H\n0.533205 0.780155 0.495894 H\n0.219845 0.466795 0.004106 H\n0.620589 0.077979 0.548575 H\n0.922021 0.379411 0.951425 H\n0.379224 0.921557 0.451108 H\n0.078443 0.620776 0.048892 H\n0.774269 0.680206 0.460961 O\n0.319794 0.225731 0.039039 O\n0.225444 0.320385 0.538609 O\n0.679615 0.774556 0.961391 O\n0.700035 0.502139 0.323150 O\n0.497861 0.299965 0.176850 O\n0.298062 0.499376 0.676273 O\n0.500624 0.701938 0.823727 O\n0.587447 0.192667 0.492014 O\n0.807333 0.412553 0.007986 O\n0.412387 0.806364 0.506549 O\n0.193636 0.587613 0.993451 O\n0.005486 0.461591 0.338860 O\n0.538409 0.994514 0.161140 O\n0.993164 0.538001 0.661361 O\n0.461999 0.006836 0.838639 O\n0.849778 0.031504 0.884069 O\n0.968496 0.150222 0.615931 O\n0.151643 0.967026 0.116230 O\n0.032974 0.848357 0.383770 O\n0.881076 0.702880 0.163982 O\n0.297120 0.118924 0.336018 O\n0.118962 0.296970 0.835809 O\n0.703030 0.881038 0.664191 O\n0.024801 0.834173 0.696847 O\n0.165827 0.975199 0.803153 O\n0.975737 0.164978 0.303191 O\n0.835022 0.024263 0.196809 O\n",
"nsites": 50,
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"elements": [
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"Mn",
"Ga",
"P",
"H",
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],
"chemical_system": "Ga-H-K-Mn-O-P-Rb",
"density": 3.157792733735995,
"density_atomic": 0.08230733116293733,
"volume": 607.4793009752551,
"volume_molar": 7.316651718518784,
"formula_full": "K1 Rb1 Mn2 Ga4 P6 H8 O28",
"formula_reduced": "KRbMn2Ga4P6(H2O7)4",
"formula_anonymous": "ABC2D4E6F8G28",
"energy": -344.95148328,
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"updated_at": "2021-11-28T01:35:27.145000Z",
"spacegroup": 5
},
{
"id": "mp-721692",
"created_at": "2022-09-04T14:47:06.939839Z",
"structure_string": "Mn2 P4 H16 O20\n1.0\n10.240362 0.000000 0.000000\n0.000000 5.469063 0.000000\n0.000000 4.774382 7.354122\nMn P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.716454 0.088048 0.168748 P\n0.783546 0.088048 0.668748 P\n0.283546 0.911952 0.831252 P\n0.216454 0.911952 0.331252 P\n0.079820 0.590876 0.831703 H\n0.420180 0.590876 0.331703 H\n0.920180 0.409124 0.168297 H\n0.579820 0.409124 0.668297 H\n0.718354 0.879919 0.015014 H\n0.781646 0.879919 0.515014 H\n0.281646 0.120081 0.984986 H\n0.218354 0.120081 0.484986 H\n0.958454 0.585003 0.726264 H\n0.541546 0.585003 0.226264 H\n0.041546 0.414997 0.273736 H\n0.458454 0.414997 0.773736 H\n0.619056 0.444523 0.915706 H\n0.880944 0.444523 0.415706 H\n0.380944 0.555477 0.084294 H\n0.119056 0.555477 0.584294 H\n0.864202 0.128504 0.140357 O\n0.635798 0.128504 0.640357 O\n0.135798 0.871496 0.859643 O\n0.364202 0.871496 0.359643 O\n0.672155 0.977258 0.361605 O\n0.827845 0.977258 0.861605 O\n0.327845 0.022742 0.638395 O\n0.172155 0.022742 0.138395 O\n0.665502 0.864420 0.118604 O\n0.834498 0.864420 0.618604 O\n0.334498 0.135580 0.881396 O\n0.165502 0.135580 0.381396 O\n0.643398 0.388613 0.041268 O\n0.856602 0.388613 0.541268 O\n0.356602 0.611387 0.958732 O\n0.143398 0.611387 0.458732 O\n0.039365 0.474661 0.786930 O\n0.460635 0.474661 0.286930 O\n0.960635 0.525339 0.213070 O\n0.539365 0.525339 0.713070 O\n",
"nsites": 42,
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"elements": [
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"H",
"O"
],
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"formula_full": "Mn2 P4 H16 O20",
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{
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{
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"density": 11.100592163090754,
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"volume": 161.26818075912982,
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"formula_full": "Pu2 Pa2 O8",
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"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.815864 0.334648 0.105590\n0.256113 6.752439 -0.052669\n0.045958 -0.039498 5.160699\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.084387 0.210119 0.743455 Na\n0.245226 0.517555 0.247964 Na\n0.751350 0.491527 0.754237 Na\n0.295037 0.054786 0.215627 Li\n0.714387 0.951251 0.778341 Li\n0.906801 0.805992 0.262388 Li\n0.359482 0.758230 0.778547 Mn\n0.650091 0.235345 0.223205 Mn\n0.422100 0.244582 0.712740 P\n0.584951 0.750799 0.289135 P\n0.035901 0.762292 0.737739 C\n0.954415 0.237147 0.260519 C\n0.100969 0.236718 0.281508 O\n0.062576 0.752802 0.983436 O\n0.148542 0.766550 0.569783 O\n0.326966 0.078233 0.823239 O\n0.338012 0.444790 0.800006 O\n0.428754 0.230098 0.409395 O\n0.419432 0.780946 0.187662 O\n0.587706 0.221335 0.811053 O\n0.575858 0.768607 0.591863 O\n0.662651 0.547940 0.204399 O\n0.688597 0.910549 0.180758 O\n0.866562 0.236597 0.466690 O\n0.891290 0.235047 0.035695 O\n0.897956 0.770162 0.650615 O\n",
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{
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}