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{
"count": 146323,
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"results": [
{
"id": "mp-803475",
"created_at": "2022-09-04T14:42:43.103438Z",
"structure_string": "Ti2 Mn18 O40\n1.0\n5.807202 0.000000 0.000000\n-2.899944 -5.049248 0.000000\n0.017183 3.307906 -23.817761\nTi Mn O\n2 18 40\ndirect\n0.120065 0.496280 0.875430 Ti\n0.123760 0.500728 0.374964 Ti\n0.323207 0.699569 0.975433 Mn\n0.121770 0.997616 0.874920 Mn\n0.725270 0.600529 0.674515 Mn\n0.621124 0.996546 0.874920 Mn\n0.921912 0.297299 0.774644 Mn\n0.724044 0.099612 0.674818 Mn\n0.224651 0.598543 0.674798 Mn\n0.824220 0.202424 0.475466 Mn\n0.323977 0.702098 0.475559 Mn\n0.525142 0.902290 0.575084 Mn\n0.923824 0.801031 0.274351 Mn\n0.423128 0.800017 0.274288 Mn\n0.523321 0.399042 0.075295 Mn\n0.324303 0.202025 0.475714 Mn\n0.522671 0.898870 0.075147 Mn\n0.922703 0.300536 0.274324 Mn\n0.722996 0.098428 0.174841 Mn\n0.022969 0.398803 0.075258 Mn\n0.009196 0.623793 0.923227 O\n0.455933 0.623153 0.923126 O\n0.053038 0.661847 0.721892 O\n0.451058 0.062745 0.921792 O\n0.276873 0.890847 0.833387 O\n0.965508 0.102279 0.916658 O\n0.837147 0.977497 0.627720 O\n0.234261 0.370912 0.827124 O\n0.786608 0.370725 0.827064 O\n0.611475 0.223630 0.721439 O\n0.052613 0.221694 0.721710 O\n0.654163 0.826369 0.522231 O\n0.653503 0.266876 0.522384 O\n0.477115 0.090466 0.434466 O\n0.878313 0.487839 0.633578 O\n0.792525 0.932529 0.827980 O\n0.396825 0.536937 0.627516 O\n0.571719 0.711154 0.715742 O\n0.170554 0.314008 0.516576 O\n0.440047 0.579080 0.429263 O\n0.394081 0.975807 0.628092 O\n0.593350 0.175779 0.227377 O\n0.993103 0.579664 0.429116 O\n0.212989 0.826211 0.522646 O\n0.807451 0.424030 0.320819 O\n0.076347 0.688459 0.233346 O\n0.254964 0.871001 0.320449 O\n0.369753 0.510973 0.116299 O\n0.993429 0.131866 0.429298 O\n0.769923 0.912489 0.315429 O\n0.594648 0.735041 0.227584 O\n0.194583 0.335470 0.028205 O\n0.034825 0.176584 0.227401 O\n0.634883 0.775622 0.028243 O\n0.193257 0.775610 0.028370 O\n0.410940 0.022554 0.122216 O\n0.254146 0.422854 0.320703 O\n0.852694 0.022011 0.121972 O\n0.851998 0.462920 0.122232 O\n0.676286 0.287229 0.034223 O\n",
"nsites": 60,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.100545206743167,
"density_atomic": 0.08591256436502111,
"volume": 698.3844614982615,
"volume_molar": 7.009615886232219,
"formula_full": "Ti2 Mn18 O40",
"formula_reduced": "TiMn9O20",
"formula_anonymous": "AB9C20",
"energy": -431.73519676,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 53.9908944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.929000Z",
"spacegroup": 2
},
{
"id": "mp-1177305",
"created_at": "2022-09-04T14:39:17.219010Z",
"structure_string": "Li8 Ti7 Fe9 P24 O96\n1.0\n8.687769 -0.000798 -0.000226\n-0.000784 8.826919 0.002644\n-0.000628 0.007233 24.377472\nLi Ti Fe P O\n8 7 9 24 96\ndirect\n0.032527 0.470078 0.214686 Li\n0.033076 0.030155 0.714199 Li\n0.467762 0.529775 0.714476 Li\n0.467550 0.970183 0.214636 Li\n0.532310 0.470134 0.285445 Li\n0.532488 0.030595 0.785003 Li\n0.967493 0.970427 0.285583 Li\n0.966493 0.531293 0.785445 Li\n0.001030 0.221280 0.066887 Ti\n0.001497 0.279206 0.566203 Ti\n0.499776 0.720521 0.066763 Ti\n0.498735 0.779234 0.566222 Ti\n0.501370 0.220861 0.433812 Ti\n0.500009 0.278974 0.933373 Ti\n0.998670 0.720963 0.433730 Ti\n0.000233 0.288417 0.319192 Fe\n0.999724 0.211464 0.818908 Fe\n0.499356 0.711903 0.818882 Fe\n0.499736 0.788422 0.319233 Fe\n0.500393 0.288389 0.180925 Fe\n0.500354 0.211857 0.680740 Fe\n0.999454 0.780618 0.932835 Fe\n0.999151 0.788675 0.181400 Fe\n0.000201 0.711801 0.680212 Fe\n0.142318 0.145843 0.198620 P\n0.142221 0.354508 0.698442 P\n0.150094 0.869486 0.054434 P\n0.150141 0.630216 0.553538 P\n0.213693 0.500120 0.877490 P\n0.214284 0.999034 0.377160 P\n0.285695 0.499052 0.377138 P\n0.287546 0.000172 0.877032 P\n0.349872 0.369880 0.053947 P\n0.350309 0.130317 0.553750 P\n0.357653 0.645613 0.198538 P\n0.357884 0.854109 0.698306 P\n0.642129 0.145736 0.301617 P\n0.642194 0.354389 0.801521 P\n0.649580 0.630183 0.946360 P\n0.649747 0.869591 0.446136 P\n0.714175 0.500720 0.622558 P\n0.714229 0.999331 0.122808 P\n0.786001 0.499191 0.122873 P\n0.785648 0.000969 0.622618 P\n0.850288 0.369575 0.446133 P\n0.850410 0.130701 0.946557 P\n0.857660 0.645629 0.301681 P\n0.857274 0.854359 0.800634 P\n0.071320 0.770699 0.010989 O\n0.072015 0.726525 0.508560 O\n0.081872 0.514247 0.713589 O\n0.081809 0.986325 0.213947 O\n0.080961 0.263817 0.240435 O\n0.081143 0.236601 0.740533 O\n0.083202 0.198738 0.141908 O\n0.083041 0.301428 0.641787 O\n0.098938 0.821408 0.111637 O\n0.096149 0.682146 0.609896 O\n0.101919 0.086214 0.339423 O\n0.101437 0.414502 0.839134 O\n0.114218 0.039084 0.046212 O\n0.113917 0.461034 0.545526 O\n0.115210 0.903877 0.417035 O\n0.117136 0.590630 0.918874 O\n0.174079 0.348083 0.048516 O\n0.174307 0.152503 0.548329 O\n0.179475 0.856988 0.700265 O\n0.179285 0.642833 0.200514 O\n0.181377 0.604307 0.410685 O\n0.185985 0.895711 0.911266 O\n0.192041 0.392409 0.340540 O\n0.190636 0.106640 0.840869 O\n0.307918 0.892463 0.340596 O\n0.307487 0.608105 0.840980 O\n0.318641 0.104277 0.410763 O\n0.319238 0.392408 0.909670 O\n0.320655 0.142907 0.200356 O\n0.320668 0.357257 0.700281 O\n0.326304 0.848295 0.048334 O\n0.326018 0.652295 0.547960 O\n0.384617 0.403671 0.416984 O\n0.388287 0.095931 0.916375 O\n0.386326 0.539259 0.045883 O\n0.386087 0.961124 0.545608 O\n0.398100 0.586182 0.339380 O\n0.399412 0.914830 0.838577 O\n0.404585 0.318105 0.110184 O\n0.404682 0.182195 0.610114 O\n0.416808 0.698585 0.141881 O\n0.416778 0.801264 0.641606 O\n0.419021 0.763533 0.240448 O\n0.419167 0.736126 0.740292 O\n0.418187 0.013977 0.713431 O\n0.417849 0.485851 0.213679 O\n0.426937 0.273575 0.008689 O\n0.428118 0.226581 0.508679 O\n0.571909 0.773459 0.491273 O\n0.571430 0.727259 0.991360 O\n0.581949 0.514270 0.786420 O\n0.582064 0.985935 0.286404 O\n0.580721 0.263485 0.259609 O\n0.580742 0.236862 0.759483 O\n0.583313 0.198536 0.358238 O\n0.583870 0.301261 0.858245 O\n0.593885 0.682203 0.889995 O\n0.595485 0.817916 0.389892 O\n0.601928 0.086114 0.160687 O\n0.601994 0.413842 0.660536 O\n0.613900 0.038766 0.454316 O\n0.608584 0.461765 0.954272 O\n0.614963 0.596097 0.582734 O\n0.614526 0.904237 0.082912 O\n0.674423 0.347511 0.451657 O\n0.675218 0.157114 0.952377 O\n0.679324 0.642901 0.299644 O\n0.678559 0.857095 0.799001 O\n0.681682 0.604611 0.089257 O\n0.681283 0.895637 0.589152 O\n0.692204 0.392451 0.159448 O\n0.692098 0.107936 0.659424 O\n0.808485 0.607796 0.659069 O\n0.807782 0.891748 0.159231 O\n0.818333 0.104553 0.089172 O\n0.818598 0.395501 0.589068 O\n0.820532 0.143085 0.299662 O\n0.820755 0.357219 0.799748 O\n0.824335 0.646666 0.952804 O\n0.825599 0.847533 0.451671 O\n0.884430 0.096694 0.582727 O\n0.884888 0.404076 0.082915 O\n0.886121 0.538759 0.454304 O\n0.881015 0.961825 0.955460 O\n0.898743 0.586180 0.160557 O\n0.898641 0.914217 0.660295 O\n0.904945 0.180982 0.889899 O\n0.904585 0.317991 0.389901 O\n0.916551 0.698427 0.358296 O\n0.916129 0.798452 0.856509 O\n0.919064 0.763738 0.259767 O\n0.916831 0.737289 0.758025 O\n0.917946 0.486062 0.286406 O\n0.917028 0.014567 0.785723 O\n0.928175 0.273419 0.491261 O\n0.930638 0.226456 0.991297 O\n",
"nsites": 144,
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"elements": [
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"Ti",
"Fe",
"P",
"O"
],
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"density": 2.8180371160858,
"density_atomic": 0.07702939059680872,
"volume": 1869.4163212809558,
"volume_molar": 7.817977934580068,
"formula_full": "Li8 Ti7 Fe9 P24 O96",
"formula_reduced": "Li8Ti7Fe9(PO4)24",
"formula_anonymous": "A7B8C9D24E96",
"energy": -1124.78228759,
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"updated_at": "2021-11-28T01:34:37.705000Z",
"spacegroup": 1
},
{
"id": "mp-1224568",
"created_at": "2022-09-04T14:44:49.821743Z",
"structure_string": "K4 Mn10 Si24 O62\n1.0\n5.287748 -9.158648 0.000000\n5.287748 9.158648 0.000000\n0.000000 0.000000 14.444271\nK Mn Si O\n4 10 24 62\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.005698 Mn\n0.333333 0.666667 0.494302 Mn\n0.666667 0.333333 0.505699 Mn\n0.666667 0.333333 0.994301 Mn\n0.499792 0.499792 0.000000 Mn\n0.500208 0.000000 0.000000 Mn\n0.000000 0.500208 0.000000 Mn\n0.499792 0.499792 0.500000 Mn\n0.500208 0.000000 0.500000 Mn\n0.000000 0.500208 0.500000 Mn\n0.110119 0.771375 0.862218 Si\n0.228625 0.338744 0.862218 Si\n0.661256 0.889881 0.862218 Si\n0.110119 0.771375 0.637782 Si\n0.228625 0.338744 0.637782 Si\n0.661256 0.889881 0.637782 Si\n0.771375 0.110119 0.362218 Si\n0.338744 0.228625 0.362218 Si\n0.889881 0.661256 0.362218 Si\n0.771375 0.110119 0.137782 Si\n0.338744 0.228625 0.137782 Si\n0.889881 0.661256 0.137782 Si\n0.888660 0.230210 0.638259 Si\n0.769790 0.658450 0.638259 Si\n0.341550 0.111340 0.638259 Si\n0.888660 0.230210 0.861741 Si\n0.769790 0.658450 0.861741 Si\n0.341550 0.111340 0.861741 Si\n0.230210 0.888660 0.138259 Si\n0.658450 0.769790 0.138259 Si\n0.111340 0.341550 0.138259 Si\n0.230210 0.888660 0.361741 Si\n0.658450 0.769790 0.361741 Si\n0.111340 0.341550 0.361741 Si\n0.122735 0.755669 0.750000 O\n0.244331 0.367067 0.750000 O\n0.632933 0.877265 0.750000 O\n0.755669 0.122735 0.250000 O\n0.367067 0.244331 0.250000 O\n0.877265 0.632933 0.250000 O\n0.880048 0.244333 0.750000 O\n0.755667 0.635714 0.750000 O\n0.364286 0.119952 0.750000 O\n0.244333 0.880048 0.250000 O\n0.635714 0.755667 0.250000 O\n0.119952 0.364286 0.250000 O\n0.156058 0.665686 0.914950 O\n0.334314 0.490372 0.914950 O\n0.509628 0.843942 0.914950 O\n0.156058 0.665686 0.585050 O\n0.334314 0.490372 0.585050 O\n0.509628 0.843942 0.585050 O\n0.665686 0.156058 0.414950 O\n0.490372 0.334314 0.414950 O\n0.843942 0.509628 0.414950 O\n0.665686 0.156058 0.085050 O\n0.490372 0.334314 0.085050 O\n0.843942 0.509628 0.085050 O\n0.846842 0.334549 0.581400 O\n0.665451 0.512293 0.581400 O\n0.487707 0.153158 0.581400 O\n0.846842 0.334549 0.918600 O\n0.665451 0.512293 0.918600 O\n0.487707 0.153158 0.918600 O\n0.334549 0.846842 0.081400 O\n0.512293 0.665451 0.081400 O\n0.153158 0.487707 0.081400 O\n0.334549 0.846842 0.418600 O\n0.512293 0.665451 0.418600 O\n0.153158 0.487707 0.418600 O\n0.213030 0.943791 0.889978 O\n0.056209 0.269239 0.889978 O\n0.730761 0.786970 0.889978 O\n0.213030 0.943791 0.610022 O\n0.056209 0.269239 0.610022 O\n0.730761 0.786970 0.610022 O\n0.943791 0.213030 0.389978 O\n0.269239 0.056209 0.389978 O\n0.786970 0.730761 0.389978 O\n0.943791 0.213030 0.110022 O\n0.269239 0.056209 0.110022 O\n0.786970 0.730761 0.110022 O\n0.786707 0.056508 0.609574 O\n0.943492 0.730199 0.609574 O\n0.269801 0.213293 0.609574 O\n0.786707 0.056508 0.890426 O\n0.943492 0.730199 0.890426 O\n0.269801 0.213293 0.890426 O\n0.056508 0.786707 0.109574 O\n0.730199 0.943492 0.109574 O\n0.213293 0.269801 0.109574 O\n0.056508 0.786707 0.390426 O\n0.730199 0.943492 0.390426 O\n0.213293 0.269801 0.390426 O\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
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"elements": [
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],
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"density": 2.815122553625341,
"density_atomic": 0.07147797806520673,
"volume": 1399.0322992736824,
"volume_molar": 8.425169434012561,
"formula_full": "K4 Mn10 Si24 O62",
"formula_reduced": "K2Mn5Si12O31",
"formula_anonymous": "A2B5C12D31",
"energy": -819.64599671,
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"updated_at": "2021-11-28T01:36:40.647000Z",
"spacegroup": 190
},
{
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},
{
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{
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},
{
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]
}