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{
"count": 146323,
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"results": [
{
"id": "mp-1076631",
"created_at": "2022-09-04T14:42:05.297683Z",
"structure_string": "Sr28 Ca4 Fe24 Co8 O80\n1.0\n-0.032784 -0.005479 11.013045\n11.401212 -0.006908 -0.034016\n-5.693783 15.846700 -5.496860\nSr Ca Fe Co O\n28 4 24 8 80\ndirect\n0.309980 0.063008 0.608984 Sr\n0.306186 0.563696 0.609088 Sr\n0.802404 0.063337 0.609791 Sr\n0.807824 0.565425 0.109578 Sr\n0.807084 0.563480 0.609468 Sr\n0.197032 0.433908 0.389528 Sr\n0.197435 0.437748 0.892723 Sr\n0.200411 0.936934 0.388170 Sr\n0.196706 0.935729 0.892815 Sr\n0.696079 0.436261 0.390071 Sr\n0.699712 0.440360 0.892720 Sr\n0.690980 0.936300 0.389458 Sr\n0.700013 0.934958 0.893048 Sr\n0.053961 0.291063 0.110590 Sr\n0.056315 0.295303 0.608853 Sr\n0.056461 0.796544 0.608939 Sr\n0.557699 0.294063 0.109809 Sr\n0.556315 0.292898 0.608740 Sr\n0.556872 0.797669 0.109890 Sr\n0.556312 0.798073 0.609131 Sr\n0.445443 0.200075 0.386612 Sr\n0.446846 0.208111 0.892023 Sr\n0.446165 0.706004 0.387467 Sr\n0.450788 0.708334 0.892872 Sr\n0.946022 0.201474 0.388327 Sr\n0.948610 0.203514 0.893185 Sr\n0.946099 0.704697 0.389227 Sr\n0.948518 0.705070 0.892808 Sr\n0.296809 0.065555 0.105305 Ca\n0.300013 0.565181 0.105207 Ca\n0.798686 0.068026 0.106592 Ca\n0.054090 0.785470 0.105176 Ca\n0.003635 0.999945 0.498956 Fe\n0.003479 0.499382 0.498863 Fe\n0.504191 0.500523 0.500268 Fe\n0.256003 0.251897 0.005540 Fe\n0.254934 0.248602 0.499823 Fe\n0.254762 0.750663 0.499243 Fe\n0.752340 0.248738 0.499270 Fe\n0.752828 0.750953 0.500117 Fe\n0.103816 0.084702 0.245842 Fe\n0.108226 0.090963 0.750373 Fe\n0.110308 0.591404 0.249125 Fe\n0.108907 0.591223 0.750714 Fe\n0.605382 0.090104 0.248167 Fe\n0.610066 0.092133 0.753731 Fe\n0.604180 0.590668 0.247934 Fe\n0.608018 0.590841 0.748803 Fe\n0.356917 0.407908 0.247465 Fe\n0.357457 0.409842 0.749438 Fe\n0.348970 0.906012 0.241612 Fe\n0.357468 0.909077 0.749533 Fe\n0.857812 0.407439 0.250195 Fe\n0.858114 0.408636 0.750166 Fe\n0.858267 0.912744 0.248688 Fe\n0.857924 0.907747 0.749616 Fe\n0.008085 0.000539 0.007928 Co\n0.009391 0.502208 0.006088 Co\n0.506891 0.003808 0.004198 Co\n0.503667 0.000270 0.499620 Co\n0.505482 0.502765 0.006026 Co\n0.255990 0.753946 0.006927 Co\n0.757756 0.248732 0.999795 Co\n0.762217 0.757245 0.009522 Co\n0.125048 0.122055 0.491709 O\n0.127864 0.121965 0.994457 O\n0.124034 0.621882 0.490971 O\n0.131845 0.624601 0.996294 O\n0.622369 0.121405 0.491550 O\n0.632345 0.133336 0.994522 O\n0.623611 0.622695 0.491353 O\n0.635811 0.636560 0.994114 O\n0.132894 0.383997 0.013995 O\n0.132092 0.376724 0.506560 O\n0.132243 0.881803 0.015808 O\n0.132424 0.877435 0.506535 O\n0.627276 0.389394 0.009205 O\n0.631393 0.377041 0.506903 O\n0.637136 0.889541 0.013740 O\n0.629801 0.877914 0.506300 O\n0.375087 0.119071 0.491362 O\n0.376425 0.119601 0.994582 O\n0.373829 0.619699 0.490831 O\n0.383610 0.614549 0.994320 O\n0.872875 0.119464 0.491080 O\n0.877447 0.112159 0.995462 O\n0.873728 0.619943 0.491299 O\n0.885273 0.615171 0.994578 O\n0.379328 0.383382 0.014647 O\n0.380939 0.377929 0.504879 O\n0.376498 0.876992 0.011977 O\n0.382798 0.880120 0.506233 O\n0.881411 0.377672 0.010882 O\n0.881413 0.379309 0.506790 O\n0.884469 0.876474 0.015251 O\n0.880559 0.879455 0.506072 O\n0.097534 0.100566 0.143648 O\n0.081505 0.092536 0.639292 O\n0.088344 0.600301 0.139933 O\n0.081141 0.593911 0.639614 O\n0.598319 0.101399 0.144332 O\n0.587882 0.101658 0.647482 O\n0.590490 0.601290 0.141980 O\n0.578747 0.592508 0.637181 O\n0.441696 0.406584 0.357995 O\n0.442082 0.402879 0.857152 O\n0.435340 0.900172 0.348667 O\n0.442706 0.900649 0.856357 O\n0.940771 0.405857 0.360876 O\n0.942751 0.403236 0.859711 O\n0.943679 0.910097 0.359273 O\n0.942843 0.897484 0.855525 O\n0.332880 0.284160 0.141312 O\n0.330043 0.296817 0.638173 O\n0.332460 0.781684 0.137138 O\n0.329951 0.796719 0.637848 O\n0.835550 0.287667 0.143803 O\n0.831026 0.296390 0.639116 O\n0.842109 0.792984 0.142920 O\n0.828986 0.796149 0.637515 O\n0.188895 0.196819 0.357700 O\n0.191842 0.205677 0.860541 O\n0.190776 0.704026 0.359551 O\n0.192410 0.703471 0.860374 O\n0.685589 0.202478 0.360052 O\n0.694920 0.207259 0.863652 O\n0.686461 0.702817 0.358919 O\n0.694839 0.705376 0.856092 O\n0.424389 0.058308 0.238077 O\n0.433508 0.063553 0.751204 O\n0.425076 0.559205 0.239926 O\n0.433813 0.563879 0.750487 O\n0.924653 0.064615 0.241313 O\n0.934270 0.062386 0.750662 O\n0.936638 0.558760 0.248740 O\n0.934386 0.561798 0.750548 O\n0.184298 0.439042 0.249227 O\n0.183207 0.437692 0.750146 O\n0.171186 0.926034 0.239965 O\n0.183420 0.938268 0.750845 O\n0.684060 0.440278 0.249694 O\n0.684227 0.438395 0.749724 O\n0.684417 0.938758 0.250208 O\n0.684653 0.938141 0.751467 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.763317124115933,
"density_atomic": 0.07240009068025198,
"volume": 1988.9477851065426,
"volume_molar": 8.317863559862383,
"formula_full": "Sr28 Ca4 Fe24 Co8 O80",
"formula_reduced": "Sr7CaFe6(CoO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1043.24749455,
"energy_per_atom": -7.244774267708333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -921.03949455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 141.659815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.865000Z",
"spacegroup": 1
},
{
"id": "mp-1197746",
"created_at": "2022-09-04T14:42:49.927509Z",
"structure_string": "Na4 Si32 H28 O80\n1.0\n7.452846 0.002288 -0.002917\n-0.029481 15.068887 -0.030582\n-0.019285 -0.098678 49.254960\nNa Si H O\n4 32 28 80\ndirect\n0.017396 0.052852 0.262179 Na\n0.518727 0.155955 0.279850 Na\n0.009043 0.598253 0.158955 Na\n0.504212 0.705825 0.186847 Na\n0.521209 0.259185 0.372642 Si\n0.530277 0.462493 0.365000 Si\n0.246291 0.018040 0.329647 Si\n0.234048 0.221995 0.327104 Si\n0.823230 0.010671 0.324399 Si\n0.806924 0.216889 0.326913 Si\n0.319060 0.359159 0.278608 Si\n0.731281 0.353979 0.278530 Si\n0.213619 0.403442 0.163914 Si\n0.800305 0.395655 0.163941 Si\n0.286628 0.037363 0.121893 Si\n0.301246 0.242685 0.125466 Si\n0.710923 0.030853 0.122848 Si\n0.720949 0.237909 0.124727 Si\n0.013038 0.282444 0.079138 Si\n0.003459 0.487402 0.070010 Si\n0.514118 0.760744 0.367330 Si\n0.536147 0.965657 0.370864 Si\n0.237086 0.513736 0.320536 Si\n0.227992 0.720646 0.320621 Si\n0.819369 0.509207 0.319722 Si\n0.804253 0.715151 0.322267 Si\n0.319550 0.879260 0.282074 Si\n0.732052 0.866108 0.278208 Si\n0.211678 0.884675 0.165393 Si\n0.800085 0.871975 0.163421 Si\n0.289278 0.535774 0.114319 Si\n0.307239 0.741058 0.120076 Si\n0.714852 0.528785 0.114010 Si\n0.731758 0.733193 0.115729 Si\n0.022886 0.783496 0.073338 Si\n0.998021 0.988259 0.076973 Si\n0.240786 0.087433 0.190290 H\n0.848713 0.952235 0.225844 H\n0.290379 0.995705 0.203797 H\n0.985150 0.017395 0.211058 H\n0.230332 0.212640 0.250104 H\n0.775520 0.116916 0.236119 H\n0.272266 0.120392 0.234851 H\n0.811333 0.213986 0.250105 H\n0.525142 0.431340 0.187302 H\n0.033825 0.331628 0.254863 H\n0.001187 0.156062 0.051720 H\n0.021434 0.022232 0.032577 H\n0.533224 0.142456 0.400967 H\n0.626664 0.997443 0.413970 H\n0.286614 0.549017 0.192209 H\n0.826859 0.642881 0.203273 H\n0.184359 0.634697 0.205695 H\n0.732484 0.551889 0.193575 H\n0.955408 0.736326 0.236623 H\n0.636003 0.778759 0.231090 H\n0.002443 0.771502 0.208567 H\n0.514453 0.718068 0.248671 H\n0.497412 0.879417 0.188388 H\n0.043057 0.881985 0.257093 H\n0.033390 0.663844 0.044354 H\n0.047676 0.513954 0.024935 H\n0.507346 0.636902 0.393541 H\n0.578396 0.503329 0.408353 H\n0.571798 0.025827 0.398428 O\n0.516195 0.207304 0.401276 O\n0.530752 0.365204 0.378909 O\n0.336763 0.242627 0.355272 O\n0.698650 0.230011 0.355113 O\n0.352286 0.484609 0.347363 O\n0.704867 0.475217 0.345893 O\n0.032088 0.003513 0.333978 O\n0.019764 0.234334 0.331676 O\n0.280424 0.118696 0.318028 O\n0.775133 0.113616 0.316615 O\n0.311391 0.281729 0.302741 O\n0.722223 0.278647 0.303557 O\n0.285805 0.454607 0.293992 O\n0.778786 0.449606 0.293004 O\n0.524594 0.356514 0.267452 O\n0.186840 0.331893 0.254444 O\n0.864080 0.321631 0.255334 O\n0.228941 0.054616 0.207192 O\n0.262576 0.149169 0.253072 O\n0.867564 0.014339 0.220145 O\n0.772101 0.150635 0.253296 O\n0.345864 0.443372 0.186056 O\n0.671765 0.429141 0.187918 O\n0.005975 0.405535 0.174733 O\n0.257637 0.303283 0.152028 O\n0.204955 0.470203 0.136635 O\n0.769837 0.294850 0.151931 O\n0.785187 0.462699 0.137176 O\n0.256893 0.138565 0.133041 O\n0.757809 0.132941 0.131189 O\n0.498068 0.019469 0.115846 O\n0.510995 0.252036 0.117017 O\n0.187291 0.272245 0.098972 O\n0.835637 0.268971 0.098283 O\n0.179235 0.525997 0.086013 O\n0.817588 0.512378 0.085445 O\n0.017411 0.381968 0.065934 O\n0.978463 0.049183 0.049268 O\n0.017541 0.221108 0.052346 O\n0.536767 0.530044 0.391597 O\n0.492880 0.702201 0.394408 O\n0.523305 0.862671 0.378942 O\n0.342522 0.754521 0.346676 O\n0.695802 0.736969 0.350148 O\n0.349872 0.005204 0.358415 O\n0.699008 0.977699 0.349192 O\n0.028177 0.500280 0.328828 O\n0.016698 0.731744 0.328112 O\n0.276065 0.617669 0.313398 O\n0.770645 0.612324 0.312997 O\n0.275178 0.780091 0.293874 O\n0.734268 0.779063 0.298083 O\n0.329781 0.950510 0.307557 O\n0.792975 0.954650 0.296588 O\n0.520995 0.879902 0.268975 O\n0.170543 0.912888 0.260679 O\n0.860283 0.857278 0.252370 O\n0.250508 0.613417 0.189684 O\n0.000481 0.716014 0.218922 O\n0.766252 0.612678 0.187877 O\n0.576515 0.720851 0.231316 O\n0.345703 0.898335 0.190727 O\n0.651630 0.847636 0.185439 O\n0.005256 0.871908 0.176629 O\n0.271899 0.794422 0.148355 O\n0.211397 0.969873 0.144850 O\n0.814274 0.792797 0.139964 O\n0.767187 0.966207 0.147635 O\n0.255389 0.637075 0.126108 O\n0.767768 0.629526 0.124422 O\n0.500878 0.520587 0.108606 O\n0.517566 0.748853 0.111760 O\n0.185173 0.777622 0.095635 O\n0.833115 0.753519 0.087321 O\n0.175571 0.019934 0.093728 O\n0.820071 0.003315 0.095259 O\n0.012877 0.887927 0.065206 O\n0.994387 0.541120 0.040864 O\n0.061178 0.727448 0.045914 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Na",
"Si",
"H",
"O"
],
"chemical_system": "H-Na-O-Si",
"density": 0.6900994387302869,
"density_atomic": 0.026032193867584222,
"volume": 5531.61215426071,
"volume_molar": 23.133435432420022,
"formula_full": "Na4 Si32 H28 O80",
"formula_reduced": "NaSi8H7O20",
"formula_anonymous": "AB7C8D20",
"energy": -1043.22652608,
"energy_per_atom": -7.244628653333333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -988.26652608,
"band_gap": 4.3226,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.012000Z",
"spacegroup": 1
},
{
"id": "mp-1194668",
"created_at": "2022-09-04T14:42:16.699664Z",
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"updated_at": "2021-11-28T01:35:38.851000Z",
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{
"id": "mp-581285",
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"structure_string": "Li4 Gd24 B12 O56\n1.0\n8.539413 0.003597 0.000000\n-0.337015 9.021368 0.000000\n0.000000 0.000000 15.800239\nLi Gd B O\n4 24 12 56\ndirect\n0.178286 0.062446 0.394199 Li\n0.678286 0.562446 0.105801 Li\n0.321714 0.437554 0.894199 Li\n0.821714 0.937554 0.605801 Li\n0.448054 0.783329 0.513742 Gd\n0.227537 0.075119 0.643629 Gd\n0.641649 0.194019 0.177674 Gd\n0.799786 0.562748 0.504258 Gd\n0.141649 0.694019 0.322326 Gd\n0.358351 0.805981 0.822326 Gd\n0.700214 0.937252 0.004258 Gd\n0.078707 0.665924 0.665888 Gd\n0.727537 0.575119 0.856371 Gd\n0.858351 0.305981 0.677674 Gd\n0.551946 0.216671 0.486258 Gd\n0.578707 0.165924 0.834112 Gd\n0.272463 0.424881 0.143629 Gd\n0.948054 0.283329 0.986258 Gd\n0.039660 0.055207 0.174210 Gd\n0.200214 0.437252 0.495742 Gd\n0.772463 0.924881 0.356371 Gd\n0.921293 0.334076 0.334112 Gd\n0.421293 0.834076 0.165888 Gd\n0.539660 0.555207 0.325790 Gd\n0.299786 0.062748 0.995742 Gd\n0.960340 0.944793 0.825790 Gd\n0.460340 0.444793 0.674210 Gd\n0.051946 0.716671 0.013742 Gd\n0.070485 0.527432 0.827422 B\n0.929515 0.472568 0.172578 B\n0.319968 0.277314 0.306977 B\n0.063759 0.855443 0.499617 B\n0.429515 0.972568 0.327422 B\n0.819968 0.777314 0.193023 B\n0.436241 0.644557 0.999617 B\n0.936241 0.144557 0.500383 B\n0.180032 0.222686 0.806977 B\n0.570485 0.027432 0.672578 B\n0.680032 0.722686 0.693023 B\n0.563759 0.355443 0.000383 B\n0.029575 0.882356 0.415543 O\n0.192443 0.895760 0.098148 O\n0.323701 0.274320 0.775866 O\n0.161847 0.876518 0.914623 O\n0.542528 0.719991 0.051041 O\n0.009319 0.535953 0.410677 O\n0.467395 0.990374 0.411782 O\n0.345418 0.622191 0.232250 O\n0.437324 0.322578 0.249312 O\n0.042528 0.219991 0.448959 O\n0.532605 0.009626 0.588218 O\n0.838153 0.123482 0.085377 O\n0.676299 0.725680 0.224134 O\n0.654582 0.377809 0.767750 O\n0.970425 0.117644 0.584457 O\n0.207898 0.905264 0.533399 O\n0.649344 0.703143 0.607609 O\n0.844464 0.778641 0.920723 O\n0.344464 0.278641 0.579277 O\n0.655536 0.721359 0.420723 O\n0.062676 0.177422 0.749312 O\n0.154582 0.877809 0.732250 O\n0.937324 0.822578 0.250688 O\n0.792102 0.094736 0.466601 O\n0.292102 0.594736 0.033399 O\n0.350656 0.296857 0.392391 O\n0.957472 0.780009 0.551041 O\n0.215381 0.576450 0.797256 O\n0.951887 0.503253 0.768082 O\n0.807557 0.104240 0.901852 O\n0.707898 0.405264 0.966601 O\n0.548113 0.996747 0.268082 O\n0.155536 0.221359 0.079277 O\n0.048113 0.496747 0.231918 O\n0.661847 0.376518 0.585377 O\n0.990681 0.464047 0.589323 O\n0.457472 0.280009 0.948959 O\n0.715381 0.076450 0.702744 O\n0.470425 0.617644 0.915543 O\n0.490681 0.964047 0.910677 O\n0.529575 0.382356 0.084457 O\n0.032605 0.509626 0.911782 O\n0.509319 0.035953 0.089323 O\n0.692443 0.395760 0.401852 O\n0.338153 0.623482 0.414623 O\n0.845418 0.122191 0.267750 O\n0.284619 0.923550 0.297256 O\n0.850656 0.796857 0.107609 O\n0.823701 0.774320 0.724134 O\n0.307557 0.604240 0.598148 O\n0.451887 0.003253 0.731918 O\n0.784619 0.423550 0.202744 O\n0.149344 0.203143 0.892391 O\n0.176299 0.225680 0.275866 O\n0.967395 0.490374 0.088218 O\n0.562676 0.677422 0.750688 O\n",
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},
{
"id": "mp-1197646",
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0.628390 Te\n0.011198 0.628390 0.800075 Te\n0.995842 0.288229 0.128004 Te\n0.004158 0.128004 0.288229 Te\n0.504158 0.788229 0.628004 Te\n0.495842 0.628004 0.788229 Te\n0.732711 0.626673 0.936568 Te\n0.267289 0.936568 0.626673 Te\n0.767289 0.126673 0.436568 Te\n0.232711 0.436568 0.126673 Te\n0.743953 0.460091 0.124021 Te\n0.256047 0.124021 0.460091 Te\n0.756047 0.960091 0.624021 Te\n0.243953 0.624021 0.960091 Te\n0.505561 0.285479 0.901624 Te\n0.494439 0.901624 0.285479 Te\n0.994439 0.785479 0.401624 Te\n0.005561 0.401624 0.785479 Te\n0.997296 0.290996 0.903814 Te\n0.002704 0.903814 0.290996 Te\n0.502704 0.790996 0.403814 Te\n0.497296 0.403814 0.790996 Te\n0.757433 0.849188 0.961753 Te\n0.242567 0.961753 0.849188 Te\n0.742567 0.349188 0.461753 Te\n0.257433 0.461753 0.349188 Te\n0.748890 0.459008 0.343709 Te\n0.251110 0.343709 0.459008 Te\n0.751110 0.959008 0.843709 Te\n0.248890 0.843709 0.959008 Te\n0.753218 0.196039 0.183808 Te\n0.246782 0.183808 0.196039 Te\n0.746782 0.696039 0.683808 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}