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{
"count": 146323,
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{
"id": "mp-1076190",
"created_at": "2022-09-04T14:43:23.692586Z",
"structure_string": "Sr16 Ca16 Mn20 Fe12 O80\n1.0\n-0.000449 -0.008214 11.037602\n11.167389 -0.001170 -0.000316\n-5.585171 15.811689 -5.529971\nSr Ca Mn Fe O\n16 16 20 12 80\ndirect\n0.308011 0.559691 0.611032 Sr\n0.807011 0.057438 0.608677 Sr\n0.810177 0.559319 0.610578 Sr\n0.195128 0.438714 0.386200 Sr\n0.199190 0.443042 0.893499 Sr\n0.696942 0.439723 0.386772 Sr\n0.697859 0.938190 0.387013 Sr\n0.699822 0.940491 0.892474 Sr\n0.060861 0.300030 0.610376 Sr\n0.059125 0.801633 0.610273 Sr\n0.558258 0.300963 0.610328 Sr\n0.556852 0.801104 0.608875 Sr\n0.445887 0.197991 0.387262 Sr\n0.449988 0.199891 0.890746 Sr\n0.948447 0.196971 0.386323 Sr\n0.948157 0.200278 0.891731 Sr\n0.305205 0.062932 0.105912 Ca\n0.306158 0.059842 0.604378 Ca\n0.307275 0.564842 0.108708 Ca\n0.804786 0.062965 0.105348 Ca\n0.806891 0.563082 0.107399 Ca\n0.199541 0.936882 0.392014 Ca\n0.202701 0.937604 0.897160 Ca\n0.702312 0.441449 0.897540 Ca\n0.055433 0.293419 0.106760 Ca\n0.056172 0.792926 0.106391 Ca\n0.554867 0.293001 0.105301 Ca\n0.554971 0.792579 0.105002 Ca\n0.448457 0.704792 0.392662 Ca\n0.450994 0.707012 0.896635 Ca\n0.948654 0.704740 0.390963 Ca\n0.951258 0.707458 0.897592 Ca\n0.005065 0.999437 0.498975 Mn\n0.002358 0.499401 0.497417 Mn\n0.256785 0.251417 0.003689 Mn\n0.252250 0.248256 0.498022 Mn\n0.107072 0.089998 0.244905 Mn\n0.117495 0.095188 0.754600 Mn\n0.109014 0.600806 0.247502 Mn\n0.114019 0.603983 0.755576 Mn\n0.607656 0.092853 0.245306 Mn\n0.609163 0.100231 0.749834 Mn\n0.607662 0.596427 0.246546 Mn\n0.612416 0.597785 0.754633 Mn\n0.358424 0.405894 0.246224 Mn\n0.365997 0.404593 0.754765 Mn\n0.355399 0.897203 0.247183 Mn\n0.360170 0.901531 0.751269 Mn\n0.857451 0.405483 0.244862 Mn\n0.861205 0.408111 0.754959 Mn\n0.859826 0.895620 0.244098 Mn\n0.866360 0.899577 0.751616 Mn\n0.008107 0.001501 0.003645 Fe\n0.006355 0.501991 0.003620 Fe\n0.506036 0.001341 0.003428 Fe\n0.501591 0.999099 0.497901 Fe\n0.506653 0.501664 0.002905 Fe\n0.501333 0.498373 0.496471 Fe\n0.256484 0.752131 0.002805 Fe\n0.251160 0.749379 0.497254 Fe\n0.756982 0.253509 0.004676 Fe\n0.753888 0.249776 0.498659 Fe\n0.756336 0.749921 0.002086 Fe\n0.753041 0.747661 0.496556 Fe\n0.127681 0.117378 0.491371 O\n0.130021 0.122194 0.993200 O\n0.118885 0.622288 0.489394 O\n0.123343 0.625134 0.993198 O\n0.624411 0.122753 0.493399 O\n0.625573 0.124362 0.995949 O\n0.621662 0.622825 0.490562 O\n0.624740 0.620802 0.990091 O\n0.138170 0.379771 0.015498 O\n0.131209 0.376756 0.505580 O\n0.135899 0.880445 0.011846 O\n0.130833 0.879633 0.503560 O\n0.637084 0.383329 0.015210 O\n0.631030 0.377258 0.504723 O\n0.633875 0.878179 0.012934 O\n0.627574 0.873504 0.501338 O\n0.370026 0.119315 0.491921 O\n0.372021 0.119750 0.992886 O\n0.374071 0.622144 0.491015 O\n0.378234 0.623534 0.993538 O\n0.878070 0.120553 0.494818 O\n0.877479 0.120971 0.994606 O\n0.876303 0.620965 0.491664 O\n0.874377 0.618480 0.989804 O\n0.384449 0.382139 0.014549 O\n0.378619 0.375996 0.504684 O\n0.385388 0.884348 0.013244 O\n0.377135 0.881822 0.505446 O\n0.884934 0.384905 0.013327 O\n0.881231 0.378689 0.503549 O\n0.887930 0.881562 0.013822 O\n0.882389 0.876820 0.502281 O\n0.086406 0.094052 0.134136 O\n0.084900 0.080396 0.639923 O\n0.078424 0.596889 0.134377 O\n0.073242 0.585267 0.640344 O\n0.580087 0.095987 0.134963 O\n0.574373 0.081682 0.633884 O\n0.576435 0.596605 0.134555 O\n0.573248 0.580544 0.637823 O\n0.436409 0.413835 0.363262 O\n0.445784 0.413078 0.868976 O\n0.435701 0.912172 0.363070 O\n0.444154 0.911127 0.866580 O\n0.932956 0.413252 0.357650 O\n0.943356 0.412384 0.867530 O\n0.939566 0.909752 0.358381 O\n0.946820 0.908648 0.866987 O\n0.330988 0.288702 0.131806 O\n0.327754 0.298961 0.640653 O\n0.327240 0.789066 0.134781 O\n0.318878 0.800171 0.634861 O\n0.834161 0.290679 0.134397 O\n0.826024 0.308260 0.638225 O\n0.831563 0.785018 0.132548 O\n0.824480 0.802490 0.634292 O\n0.181600 0.191928 0.358770 O\n0.193298 0.206121 0.870894 O\n0.191058 0.702477 0.363749 O\n0.200374 0.710374 0.869550 O\n0.687311 0.190776 0.362223 O\n0.686233 0.207359 0.865851 O\n0.694775 0.693413 0.362471 O\n0.698421 0.704555 0.866920 O\n0.429716 0.059558 0.240757 O\n0.429984 0.064107 0.743761 O\n0.430336 0.577956 0.249019 O\n0.440220 0.576668 0.759587 O\n0.928302 0.061120 0.238857 O\n0.940847 0.063502 0.750740 O\n0.928190 0.575108 0.248101 O\n0.939919 0.575851 0.760789 O\n0.174781 0.432223 0.240170 O\n0.192149 0.440238 0.752848 O\n0.179012 0.921929 0.247397 O\n0.189193 0.930521 0.760276 O\n0.676694 0.426707 0.239072 O\n0.687090 0.432824 0.759295 O\n0.681821 0.925342 0.239773 O\n0.691938 0.940585 0.752211 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.339740556016975,
"density_atomic": 0.07390723993083934,
"volume": 1948.3882788039687,
"volume_molar": 8.148241993119182,
"formula_full": "Sr16 Ca16 Mn20 Fe12 O80",
"formula_reduced": "Sr4Ca4Mn5Fe3O20",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1095.08721686,
"energy_per_atom": -7.604772339305555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -979.69521686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 139.6502319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 1
},
{
"id": "mp-1099862",
"created_at": "2022-09-04T14:43:53.170464Z",
"structure_string": "Ba4 Sr28 Fe24 Co8 O80\n1.0\n-0.027762 0.012774 11.080033\n11.463326 -0.008051 -0.028594\n-5.728910 16.086266 -5.508440\nBa Sr Fe Co O\n4 28 24 8 80\ndirect\n0.308674 0.062931 0.114778 Ba\n0.309727 0.561759 0.113579 Ba\n0.808251 0.061211 0.114240 Ba\n0.056132 0.799771 0.113736 Ba\n0.309328 0.062993 0.608184 Sr\n0.305781 0.564062 0.608885 Sr\n0.802527 0.062276 0.608239 Sr\n0.806797 0.563298 0.109200 Sr\n0.805869 0.564099 0.608919 Sr\n0.198372 0.438014 0.391960 Sr\n0.197954 0.436193 0.889193 Sr\n0.202870 0.937482 0.394471 Sr\n0.199515 0.935755 0.888818 Sr\n0.697116 0.436595 0.391357 Sr\n0.696420 0.435478 0.888468 Sr\n0.695376 0.938681 0.393145 Sr\n0.692153 0.933350 0.888323 Sr\n0.056997 0.295534 0.108726 Sr\n0.055613 0.293963 0.609248 Sr\n0.055326 0.796535 0.609133 Sr\n0.556407 0.297719 0.108125 Sr\n0.556346 0.290843 0.608204 Sr\n0.558495 0.794051 0.109431 Sr\n0.557059 0.798138 0.608884 Sr\n0.448041 0.204805 0.395279 Sr\n0.450262 0.207859 0.888682 Sr\n0.448032 0.707810 0.394615 Sr\n0.447216 0.704367 0.888535 Sr\n0.949549 0.206881 0.393929 Sr\n0.944238 0.205771 0.887638 Sr\n0.949117 0.704317 0.392798 Sr\n0.942390 0.699233 0.888056 Sr\n0.003654 0.998988 0.499285 Fe\n0.004702 0.500779 0.501284 Fe\n0.504869 0.500511 0.501483 Fe\n0.251519 0.246997 0.992132 Fe\n0.255892 0.249553 0.500854 Fe\n0.256473 0.752305 0.501968 Fe\n0.752959 0.248484 0.499688 Fe\n0.752544 0.751062 0.498777 Fe\n0.114889 0.097201 0.258918 Fe\n0.107156 0.089840 0.748065 Fe\n0.106111 0.588955 0.252420 Fe\n0.106715 0.588787 0.747764 Fe\n0.614832 0.095106 0.256009 Fe\n0.606432 0.088825 0.747153 Fe\n0.615074 0.593129 0.255250 Fe\n0.605196 0.587699 0.746204 Fe\n0.360567 0.410208 0.253801 Fe\n0.356364 0.408101 0.746580 Fe\n0.368212 0.913480 0.258543 Fe\n0.356208 0.909100 0.747201 Fe\n0.858648 0.411707 0.251430 Fe\n0.855778 0.407374 0.746761 Fe\n0.859204 0.907242 0.256338 Fe\n0.856421 0.908898 0.747625 Fe\n0.998177 0.994526 0.985266 Co\n0.001128 0.495827 0.996201 Co\n0.500045 0.997591 0.993320 Co\n0.504824 0.999152 0.500013 Co\n0.503620 0.498358 0.995572 Co\n0.252715 0.741495 0.989294 Co\n0.751418 0.253416 0.998562 Co\n0.746825 0.744175 0.991730 Co\n0.125372 0.122803 0.493214 O\n0.124006 0.124040 0.987683 O\n0.124889 0.622414 0.493157 O\n0.129663 0.630322 0.988301 O\n0.623581 0.121181 0.493297 O\n0.632749 0.132187 0.989898 O\n0.625169 0.622278 0.492514 O\n0.628745 0.627446 0.990961 O\n0.127730 0.371890 0.001135 O\n0.132102 0.379510 0.509036 O\n0.114535 0.884777 0.999255 O\n0.133567 0.877380 0.508835 O\n0.629915 0.384977 0.006827 O\n0.633273 0.377954 0.508772 O\n0.623954 0.874390 0.003027 O\n0.631251 0.878949 0.508653 O\n0.377073 0.118504 0.493582 O\n0.375017 0.121635 0.989034 O\n0.374664 0.620450 0.493118 O\n0.379613 0.615037 0.988386 O\n0.875173 0.120346 0.493654 O\n0.881954 0.106361 0.988232 O\n0.875605 0.619544 0.493456 O\n0.870381 0.612026 0.987295 O\n0.380213 0.374257 0.001334 O\n0.383748 0.381980 0.510644 O\n0.369612 0.867786 0.001846 O\n0.384476 0.881317 0.508794 O\n0.874875 0.366253 0.003286 O\n0.883723 0.381962 0.509422 O\n0.866762 0.864451 0.999191 O\n0.883133 0.880873 0.510253 O\n0.084732 0.106817 0.153001 O\n0.082148 0.093297 0.639691 O\n0.074351 0.587032 0.143041 O\n0.080968 0.594649 0.639385 O\n0.583077 0.106305 0.149664 O\n0.577655 0.088378 0.636674 O\n0.589952 0.602207 0.149091 O\n0.580274 0.594374 0.638012 O\n0.440677 0.403579 0.362462 O\n0.441624 0.400630 0.852301 O\n0.445608 0.910159 0.368665 O\n0.439376 0.901030 0.853580 O\n0.942253 0.406426 0.360418 O\n0.939456 0.400627 0.852770 O\n0.941481 0.905797 0.366070 O\n0.938707 0.900472 0.854754 O\n0.334183 0.308077 0.142420 O\n0.329631 0.295242 0.637572 O\n0.342265 0.807222 0.149890 O\n0.329915 0.796561 0.637825 O\n0.834873 0.305482 0.141534 O\n0.829423 0.294252 0.637997 O\n0.829234 0.796300 0.147980 O\n0.829574 0.795983 0.639172 O\n0.196110 0.210649 0.367926 O\n0.191283 0.202819 0.856617 O\n0.192052 0.703942 0.360810 O\n0.190664 0.703127 0.855690 O\n0.699121 0.206877 0.365920 O\n0.689480 0.204056 0.853396 O\n0.697570 0.706562 0.365266 O\n0.687499 0.701988 0.853833 O\n0.447682 0.065280 0.262317 O\n0.433571 0.061181 0.748225 O\n0.446026 0.562658 0.261085 O\n0.432304 0.561159 0.747310 O\n0.945853 0.057136 0.260797 O\n0.933543 0.060740 0.748218 O\n0.932109 0.565842 0.253133 O\n0.933342 0.560339 0.747675 O\n0.185564 0.438301 0.251617 O\n0.183181 0.437747 0.748171 O\n0.199045 0.950517 0.260399 O\n0.183328 0.938130 0.748541 O\n0.685400 0.437765 0.251643 O\n0.682210 0.437183 0.747313 O\n0.686127 0.940783 0.252857 O\n0.683856 0.938399 0.748909 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Fe",
"Co",
"O"
],
"chemical_system": "Ba-Co-Fe-O-Sr",
"density": 4.9523390068172795,
"density_atomic": 0.07046853773711288,
"volume": 2043.4651352806648,
"volume_molar": 8.545857418619866,
"formula_full": "Ba4 Sr28 Fe24 Co8 O80",
"formula_reduced": "BaSr7Fe6(CoO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1040.23679031,
"energy_per_atom": -7.223866599375,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -918.02879031,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 141.0509266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.917000Z",
"spacegroup": 1
},
{
"id": "mp-1198080",
"created_at": "2022-09-04T14:47:13.122708Z",
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"elements": [
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"updated_at": "2021-11-28T01:37:57.629000Z",
"spacegroup": 14
},
{
"id": "mp-1076880",
"created_at": "2022-09-04T14:44:19.657707Z",
"structure_string": "La28 Sm4 Co20 Cu12 O80\n1.0\n0.000673 0.002853 10.778794\n11.389130 0.006767 0.000599\n-5.685622 16.133691 -5.384971\nLa Sm Co Cu O\n28 4 20 12 80\ndirect\n0.301876 0.064367 0.111407 La\n0.307130 0.063428 0.609514 La\n0.306091 0.567492 0.611935 La\n0.804835 0.064973 0.610417 La\n0.805871 0.567618 0.111384 La\n0.807000 0.567074 0.612283 La\n0.194310 0.433375 0.388435 La\n0.192943 0.435688 0.890336 La\n0.198122 0.933467 0.386729 La\n0.193991 0.933744 0.888832 La\n0.693789 0.435016 0.388680 La\n0.693370 0.932772 0.388367 La\n0.694656 0.933730 0.888957 La\n0.053909 0.295284 0.111694 La\n0.057556 0.296049 0.610117 La\n0.055884 0.796239 0.612131 La\n0.559166 0.294253 0.111246 La\n0.559093 0.297501 0.612706 La\n0.553310 0.797040 0.112435 La\n0.556839 0.794857 0.611833 La\n0.447833 0.204887 0.388505 La\n0.449079 0.206107 0.888829 La\n0.442923 0.702638 0.385975 La\n0.444682 0.703200 0.888538 La\n0.945900 0.203037 0.387134 La\n0.942614 0.205669 0.888927 La\n0.943976 0.703694 0.387862 La\n0.943963 0.702916 0.888994 La\n0.299568 0.568861 0.108552 Sm\n0.802776 0.066741 0.109392 Sm\n0.693284 0.433179 0.891845 Sm\n0.053897 0.792525 0.110170 Sm\n0.004006 0.997927 0.497982 Co\n0.255485 0.251347 0.001442 Co\n0.255443 0.250156 0.499681 Co\n0.754614 0.250560 0.499912 Co\n0.105414 0.093931 0.250375 Co\n0.109088 0.097937 0.750980 Co\n0.109265 0.595320 0.248364 Co\n0.108982 0.593389 0.750773 Co\n0.611060 0.095845 0.251624 Co\n0.608580 0.097259 0.750901 Co\n0.604631 0.593990 0.247701 Co\n0.609763 0.594150 0.752166 Co\n0.355587 0.404177 0.245090 Co\n0.358781 0.402927 0.748178 Co\n0.354895 0.903129 0.247738 Co\n0.359160 0.906076 0.750609 Co\n0.857633 0.403821 0.248831 Co\n0.854984 0.403192 0.748991 Co\n0.860610 0.905778 0.250207 Co\n0.859034 0.906243 0.750988 Co\n0.002702 0.999244 0.002208 Cu\n0.001794 0.500797 0.000632 Cu\n0.002887 0.500516 0.499289 Cu\n0.503557 0.000028 0.000928 Cu\n0.503529 0.999038 0.499809 Cu\n0.503233 0.501611 0.001192 Cu\n0.503079 0.500991 0.499926 Cu\n0.252647 0.751005 0.001182 Cu\n0.252985 0.748611 0.498876 Cu\n0.753388 0.249646 0.000350 Cu\n0.753542 0.751009 0.001605 Cu\n0.752148 0.748746 0.499045 Cu\n0.120820 0.119074 0.484307 O\n0.117777 0.118747 0.985924 O\n0.119803 0.620252 0.486555 O\n0.120558 0.623361 0.990936 O\n0.619796 0.119286 0.486541 O\n0.622297 0.120889 0.989472 O\n0.620237 0.620862 0.486707 O\n0.619970 0.617584 0.984162 O\n0.134613 0.384789 0.015990 O\n0.133016 0.380979 0.513074 O\n0.131740 0.878380 0.017417 O\n0.137535 0.879116 0.515754 O\n0.631736 0.378138 0.009720 O\n0.632430 0.380690 0.512602 O\n0.636843 0.883630 0.017136 O\n0.632386 0.878323 0.511811 O\n0.371841 0.114419 0.486173 O\n0.372099 0.114984 0.985594 O\n0.369894 0.616444 0.486603 O\n0.369553 0.616405 0.989315 O\n0.870304 0.115760 0.485042 O\n0.869619 0.114750 0.990386 O\n0.870985 0.616622 0.487220 O\n0.867783 0.613424 0.985400 O\n0.385175 0.390585 0.017472 O\n0.385012 0.384909 0.512816 O\n0.382174 0.884212 0.012423 O\n0.383326 0.882121 0.511218 O\n0.879555 0.383349 0.009485 O\n0.885532 0.385772 0.513894 O\n0.886699 0.886920 0.020474 O\n0.882345 0.882637 0.514560 O\n0.100921 0.117525 0.147846 O\n0.088813 0.107535 0.640103 O\n0.104325 0.616267 0.145145 O\n0.097874 0.614589 0.646613 O\n0.607519 0.114122 0.147772 O\n0.595517 0.114769 0.645372 O\n0.603302 0.615769 0.145039 O\n0.597910 0.612850 0.646772 O\n0.449527 0.386003 0.351017 O\n0.459324 0.386490 0.852806 O\n0.446940 0.885087 0.353153 O\n0.453597 0.885311 0.855006 O\n0.951405 0.385382 0.353855 O\n0.954269 0.386230 0.853763 O\n0.950363 0.893732 0.360824 O\n0.951204 0.885415 0.855686 O\n0.338629 0.279813 0.136488 O\n0.335686 0.282628 0.636935 O\n0.346855 0.780212 0.143444 O\n0.348008 0.783169 0.645428 O\n0.843295 0.280093 0.143202 O\n0.833880 0.284229 0.637571 O\n0.858870 0.781654 0.146956 O\n0.845464 0.782635 0.645757 O\n0.197915 0.214538 0.361074 O\n0.201580 0.218374 0.862153 O\n0.200256 0.718023 0.354670 O\n0.200808 0.716109 0.856844 O\n0.697462 0.217823 0.362119 O\n0.700206 0.220089 0.856879 O\n0.699320 0.715388 0.354072 O\n0.702574 0.719319 0.857203 O\n0.420810 0.070896 0.249512 O\n0.418142 0.073698 0.749656 O\n0.413546 0.570374 0.242920 O\n0.419347 0.570653 0.749995 O\n0.914178 0.071787 0.245242 O\n0.920268 0.073816 0.750090 O\n0.920899 0.571185 0.249725 O\n0.919865 0.569475 0.750441 O\n0.169354 0.427848 0.250031 O\n0.170425 0.424975 0.750215 O\n0.164061 0.924476 0.244497 O\n0.170710 0.931834 0.751133 O\n0.668625 0.427693 0.249818 O\n0.669930 0.427668 0.755920 O\n0.671892 0.928548 0.250644 O\n0.670130 0.930675 0.750674 O\n",
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{
"id": "mp-1076821",
"created_at": "2022-09-04T14:46:18.030879Z",
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"elements": [
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"V",
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"density": 3.4638479856378184,
"density_atomic": 0.08086916284624603,
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"updated_at": "2021-11-28T01:37:25.015000Z",
"spacegroup": 1
},
{
"id": "mp-1076765",
"created_at": "2022-09-04T14:43:53.788327Z",
"structure_string": "La16 Sm16 Ni28 Ag4 O80\n1.0\n0.018649 0.006313 11.019385\n11.486948 -0.045669 0.019562\n-5.812572 15.577070 -5.509890\nLa Sm Ni Ag O\n16 16 28 4 80\ndirect\n0.306102 0.060909 0.607859 La\n0.309760 0.564329 0.610442 La\n0.802721 0.062430 0.608967 La\n0.804666 0.563077 0.611255 La\n0.196229 0.436432 0.388627 La\n0.192586 0.438923 0.887241 La\n0.693542 0.436188 0.388196 La\n0.692586 0.936941 0.388464 La\n0.053887 0.296584 0.609062 La\n0.053042 0.799232 0.610533 La\n0.557176 0.297882 0.609405 La\n0.442995 0.200091 0.387688 La\n0.440320 0.204032 0.889471 La\n0.946500 0.200393 0.388256 La\n0.942551 0.198551 0.885794 La\n0.946908 0.704742 0.389811 La\n0.298516 0.067990 0.113948 Sm\n0.310196 0.564665 0.116546 Sm\n0.795170 0.070128 0.112507 Sm\n0.797971 0.557031 0.117363 Sm\n0.192779 0.934734 0.389802 Sm\n0.189061 0.934899 0.887050 Sm\n0.678177 0.434261 0.885677 Sm\n0.681554 0.934644 0.878958 Sm\n0.054478 0.300014 0.114935 Sm\n0.060929 0.796685 0.118841 Sm\n0.554355 0.301430 0.112078 Sm\n0.538840 0.795067 0.113184 Sm\n0.553707 0.792451 0.605737 Sm\n0.441019 0.706728 0.391414 Sm\n0.432289 0.697730 0.887253 Sm\n0.943283 0.706183 0.885927 Sm\n0.003906 0.999628 0.498988 Ni\n0.004228 0.499939 0.499817 Ni\n0.502639 0.998113 0.498334 Ni\n0.501730 0.499973 0.001378 Ni\n0.502544 0.499785 0.497689 Ni\n0.255736 0.254467 0.002551 Ni\n0.253802 0.248806 0.499230 Ni\n0.252574 0.750416 0.003704 Ni\n0.254573 0.749474 0.499319 Ni\n0.751853 0.252152 0.999967 Ni\n0.752380 0.250053 0.498646 Ni\n0.751510 0.748636 0.497704 Ni\n0.107573 0.097138 0.250875 Ni\n0.109636 0.097027 0.751576 Ni\n0.110463 0.600918 0.249969 Ni\n0.110162 0.601521 0.750977 Ni\n0.609118 0.095697 0.249504 Ni\n0.606354 0.098021 0.749273 Ni\n0.607732 0.600086 0.250120 Ni\n0.610211 0.603646 0.751400 Ni\n0.357985 0.401247 0.247332 Ni\n0.359219 0.403045 0.748512 Ni\n0.355831 0.900050 0.250366 Ni\n0.362469 0.899461 0.748572 Ni\n0.857462 0.397840 0.248594 Ni\n0.855505 0.403499 0.749929 Ni\n0.859283 0.898436 0.246488 Ni\n0.855200 0.896719 0.747440 Ni\n0.997946 0.002040 0.003109 Ag\n0.001525 0.500658 0.001615 Ag\n0.496789 0.002292 0.003325 Ag\n0.747287 0.746359 0.003516 Ag\n0.119038 0.116171 0.481832 O\n0.117074 0.124797 0.979173 O\n0.118048 0.618353 0.482113 O\n0.109480 0.624074 0.972480 O\n0.614892 0.118593 0.481044 O\n0.615420 0.124082 0.980383 O\n0.610414 0.620195 0.477066 O\n0.596663 0.606300 0.964201 O\n0.149197 0.386470 0.039751 O\n0.136727 0.382464 0.520380 O\n0.140017 0.881653 0.031272 O\n0.135541 0.880957 0.517036 O\n0.635055 0.383685 0.022992 O\n0.635631 0.384074 0.517169 O\n0.636152 0.886988 0.041574 O\n0.631520 0.877907 0.517117 O\n0.361701 0.105919 0.477404 O\n0.349048 0.109438 0.968449 O\n0.368448 0.614375 0.478473 O\n0.367825 0.616376 0.985406 O\n0.867437 0.113136 0.481659 O\n0.846227 0.105419 0.967548 O\n0.866427 0.612178 0.480588 O\n0.847941 0.596002 0.956268 O\n0.388096 0.391561 0.024703 O\n0.385321 0.385842 0.516638 O\n0.378985 0.889921 0.029982 O\n0.388463 0.882795 0.517016 O\n0.883900 0.391570 0.031668 O\n0.885828 0.387175 0.518219 O\n0.887177 0.893199 0.037022 O\n0.884768 0.886206 0.516746 O\n0.131234 0.140734 0.159635 O\n0.084336 0.107349 0.638617 O\n0.140695 0.637754 0.159148 O\n0.082437 0.612527 0.638519 O\n0.629221 0.144286 0.159776 O\n0.584214 0.108793 0.637053 O\n0.596760 0.613397 0.138380 O\n0.577187 0.609550 0.635275 O\n0.441438 0.388072 0.360083 O\n0.447470 0.389450 0.860471 O\n0.447042 0.889067 0.362060 O\n0.471185 0.861568 0.846841 O\n0.944369 0.390065 0.361841 O\n0.966597 0.364133 0.844036 O\n0.954986 0.893932 0.361495 O\n0.977606 0.870015 0.843249 O\n0.360746 0.274728 0.139487 O\n0.337581 0.279241 0.636641 O\n0.347251 0.776110 0.140545 O\n0.340790 0.779803 0.634470 O\n0.852798 0.275975 0.137761 O\n0.824843 0.280571 0.634694 O\n0.883990 0.756570 0.156333 O\n0.823763 0.776156 0.632461 O\n0.190524 0.221520 0.365047 O\n0.200063 0.224792 0.862904 O\n0.201629 0.724336 0.363552 O\n0.214668 0.724116 0.863339 O\n0.692890 0.219816 0.364124 O\n0.696166 0.226692 0.861603 O\n0.700001 0.721720 0.361663 O\n0.730285 0.737638 0.842715 O\n0.424241 0.060793 0.245648 O\n0.425383 0.065281 0.749808 O\n0.427832 0.569272 0.252995 O\n0.427812 0.568258 0.753541 O\n0.921501 0.063645 0.244826 O\n0.925565 0.059123 0.747469 O\n0.925234 0.560460 0.248915 O\n0.929882 0.566695 0.753139 O\n0.174725 0.435123 0.247365 O\n0.178976 0.437850 0.748738 O\n0.175102 0.934811 0.253862 O\n0.182893 0.934522 0.753945 O\n0.674556 0.435827 0.245312 O\n0.671999 0.436455 0.752805 O\n0.673337 0.928575 0.247043 O\n0.670620 0.932442 0.745285 O\n",
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],
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"formula_full": "La16 Sm16 Ni28 Ag4 O80",
"formula_reduced": "La4Sm4Ni7AgO20",
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"updated_at": "2021-11-28T01:36:23.711000Z",
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},
{
"id": "mp-568259",
"created_at": "2022-09-04T14:41:29.873611Z",
"structure_string": "Ta4 Si8 P4 H72 C24 N8 Cl24\n1.0\n12.879334 0.000000 0.000000\n0.000000 9.580959 0.000000\n0.000000 3.977494 17.488314\nTa Si P H C N Cl\n4 8 4 72 24 8 24\ndirect\n0.426738 0.491887 0.897320 Ta\n0.573262 0.508113 0.102680 Ta\n0.926738 0.508113 0.602680 Ta\n0.073262 0.491887 0.397320 Ta\n0.088660 0.714829 0.132120 Si\n0.411340 0.714829 0.632120 Si\n0.243946 0.978629 0.129196 Si\n0.756054 0.021371 0.870804 Si\n0.743946 0.021371 0.370804 Si\n0.256054 0.978629 0.629196 Si\n0.911340 0.285171 0.867880 Si\n0.588660 0.285171 0.367880 Si\n0.807461 0.240522 0.726302 P\n0.692539 0.240522 0.226302 P\n0.192539 0.759478 0.273698 P\n0.307461 0.759478 0.773698 P\n0.832387 0.790547 0.934435 H\n0.603582 0.001838 0.785309 H\n0.810349 0.271985 0.988363 H\n0.433990 0.466384 0.712729 H\n0.889970 0.116342 0.998676 H\n0.397388 0.280841 0.377613 H\n0.361248 0.159908 0.150921 H\n0.913885 0.878398 0.858312 H\n0.287356 0.937353 0.998345 H\n0.667613 0.790547 0.434435 H\n0.110030 0.883658 0.001324 H\n0.413885 0.121602 0.641688 H\n0.086115 0.121602 0.141688 H\n0.916066 0.930348 0.947573 H\n0.586115 0.878398 0.358312 H\n0.312664 0.483343 0.663767 H\n0.053843 0.715820 0.999788 H\n0.946157 0.284180 0.000212 H\n0.436351 0.268543 0.284541 H\n0.389970 0.883658 0.501324 H\n0.066010 0.466384 0.212729 H\n0.056846 0.114875 0.861351 H\n0.209913 0.101563 0.736630 H\n0.396418 0.998162 0.214691 H\n0.128003 0.840482 0.569707 H\n0.871997 0.159518 0.430293 H\n0.687336 0.516657 0.336233 H\n0.943154 0.885125 0.138649 H\n0.070817 0.472450 0.112967 H\n0.689651 0.271985 0.488363 H\n0.371997 0.840482 0.069707 H\n0.063649 0.268543 0.784541 H\n0.933990 0.533616 0.787271 H\n0.553843 0.284180 0.500212 H\n0.416066 0.069652 0.552427 H\n0.929183 0.527550 0.887033 H\n0.787356 0.062647 0.501655 H\n0.566010 0.533616 0.287271 H\n0.897388 0.719159 0.122387 H\n0.610030 0.116342 0.498676 H\n0.861248 0.840092 0.349079 H\n0.709913 0.898437 0.763370 H\n0.602612 0.719159 0.622387 H\n0.583934 0.930348 0.447573 H\n0.812664 0.516657 0.836233 H\n0.189651 0.728015 0.011637 H\n0.712644 0.062647 0.001655 H\n0.385977 0.028408 0.037390 H\n0.563649 0.731457 0.715459 H\n0.570817 0.527550 0.387033 H\n0.083934 0.069652 0.052427 H\n0.138752 0.159908 0.650921 H\n0.614023 0.971592 0.962610 H\n0.187336 0.483343 0.163767 H\n0.446157 0.715820 0.499788 H\n0.628003 0.159518 0.930293 H\n0.443154 0.114875 0.361351 H\n0.556846 0.885125 0.638649 H\n0.290087 0.101563 0.236630 H\n0.790087 0.898437 0.263370 H\n0.212644 0.937353 0.498345 H\n0.167613 0.209453 0.065565 H\n0.103582 0.998162 0.714691 H\n0.885977 0.971592 0.462610 H\n0.936351 0.731457 0.215459 H\n0.429183 0.472450 0.612967 H\n0.638752 0.840092 0.849079 H\n0.310349 0.728015 0.511637 H\n0.102612 0.280841 0.877613 H\n0.114023 0.028408 0.537390 H\n0.896418 0.001838 0.285309 H\n0.332387 0.209453 0.565565 H\n0.105432 0.515849 0.159285 C\n0.045578 0.231454 0.845615 C\n0.328787 0.941066 0.051203 C\n0.829905 0.935428 0.309351 C\n0.394568 0.515849 0.659285 C\n0.170095 0.064572 0.690649 C\n0.670095 0.935428 0.809351 C\n0.385304 0.768752 0.526768 C\n0.865524 0.894792 0.906183 C\n0.605432 0.484151 0.340715 C\n0.634476 0.894792 0.406183 C\n0.614696 0.231248 0.473232 C\n0.885304 0.231248 0.973232 C\n0.171213 0.941066 0.551203 C\n0.894568 0.484151 0.840715 C\n0.329905 0.064572 0.190649 C\n0.365524 0.105208 0.593817 C\n0.954422 0.768546 0.154385 C\n0.545578 0.768546 0.654385 C\n0.671213 0.058934 0.948797 C\n0.454422 0.231454 0.345615 C\n0.828787 0.058934 0.448797 C\n0.134476 0.105208 0.093817 C\n0.114696 0.768752 0.026768 C\n0.682157 0.189881 0.318126 N\n0.626902 0.375021 0.185396 N\n0.373098 0.624979 0.814604 N\n0.182157 0.810119 0.181874 N\n0.873098 0.375021 0.685396 N\n0.317843 0.810119 0.681874 N\n0.126902 0.624979 0.314604 N\n0.817843 0.189881 0.818126 N\n0.894364 0.726537 0.636348 Cl\n0.514861 0.328686 0.031334 Cl\n0.014861 0.671314 0.468666 Cl\n0.153884 0.922830 0.323856 Cl\n0.985139 0.328686 0.531334 Cl\n0.774563 0.538011 0.527684 Cl\n0.846116 0.077170 0.676144 Cl\n0.097985 0.510585 0.648511 Cl\n0.725437 0.538011 0.027684 Cl\n0.343807 0.723677 0.302870 Cl\n0.156193 0.723677 0.802870 Cl\n0.394364 0.273463 0.863652 Cl\n0.653884 0.077170 0.176144 Cl\n0.225437 0.461989 0.472316 Cl\n0.843807 0.276323 0.197130 Cl\n0.485139 0.671314 0.968666 Cl\n0.274563 0.461989 0.972316 Cl\n0.597985 0.489415 0.851489 Cl\n0.346116 0.922830 0.823856 Cl\n0.402015 0.510585 0.148511 Cl\n0.656193 0.276323 0.697130 Cl\n0.105636 0.273463 0.363652 Cl\n0.605636 0.726537 0.136348 Cl\n0.902015 0.489415 0.351489 Cl\n",
"nsites": 144,
"nelements": 7,
"elements": [
"Ta",
"Si",
"P",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-P-Si-Ta",
"density": 1.8437760701686137,
"density_atomic": 0.06672862287909448,
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"volume_molar": 9.024823981324342,
"formula_full": "Ta4 Si8 P4 H72 C24 N8 Cl24",
"formula_reduced": "TaSi2PH18C6(NCl3)2",
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"updated_at": "2021-11-28T01:35:25.358000Z",
"spacegroup": 14
},
{
"id": "mp-1076874",
"created_at": "2022-09-04T14:42:18.622855Z",
"structure_string": "La20 Sm12 Co28 Cu4 O80\n1.0\n-0.002983 -0.006035 10.920404\n11.531381 0.004299 -0.003203\n-5.758273 15.711038 -5.466385\nLa Sm Co Cu O\n20 12 28 4 80\ndirect\n0.306110 0.065365 0.610514 La\n0.307554 0.567456 0.611879 La\n0.805579 0.066889 0.610878 La\n0.805514 0.566858 0.613164 La\n0.194916 0.433233 0.388473 La\n0.187458 0.435117 0.890389 La\n0.192823 0.933354 0.385730 La\n0.693471 0.432946 0.386643 La\n0.694617 0.931908 0.385844 La\n0.054176 0.294956 0.112210 La\n0.056872 0.295637 0.611063 La\n0.053518 0.796904 0.613300 La\n0.556169 0.296469 0.612979 La\n0.444222 0.202859 0.386329 La\n0.445872 0.204976 0.890611 La\n0.443881 0.704163 0.387128 La\n0.442893 0.706858 0.889663 La\n0.943253 0.204146 0.386046 La\n0.941661 0.202896 0.888699 La\n0.944118 0.703167 0.386346 La\n0.297408 0.067508 0.108241 Sm\n0.298952 0.569775 0.109776 Sm\n0.794052 0.065882 0.106719 Sm\n0.799965 0.569709 0.108638 Sm\n0.187664 0.933188 0.892431 Sm\n0.694044 0.433658 0.892489 Sm\n0.690734 0.929649 0.889175 Sm\n0.048387 0.789308 0.108860 Sm\n0.551240 0.289660 0.109599 Sm\n0.548258 0.793169 0.109202 Sm\n0.554192 0.793513 0.611125 Sm\n0.940808 0.713648 0.892311 Sm\n0.004226 0.999337 0.499370 Co\n0.004138 0.500932 0.499953 Co\n0.504868 0.998597 0.500092 Co\n0.504975 0.500512 0.003307 Co\n0.504874 0.500226 0.499793 Co\n0.254924 0.251380 0.001475 Co\n0.254407 0.249354 0.499344 Co\n0.253142 0.752159 0.002335 Co\n0.255153 0.750856 0.500962 Co\n0.753860 0.249972 0.001445 Co\n0.753996 0.249718 0.499434 Co\n0.753553 0.749754 0.499819 Co\n0.105513 0.092338 0.248362 Co\n0.109641 0.093864 0.752773 Co\n0.106412 0.596812 0.249109 Co\n0.106855 0.598954 0.753458 Co\n0.605702 0.092917 0.248136 Co\n0.607676 0.093954 0.751923 Co\n0.604720 0.593359 0.244761 Co\n0.610724 0.596669 0.750595 Co\n0.358465 0.404223 0.246168 Co\n0.361177 0.405919 0.752655 Co\n0.354420 0.903477 0.246086 Co\n0.359604 0.904650 0.750112 Co\n0.852604 0.402378 0.244741 Co\n0.855353 0.407778 0.750462 Co\n0.856019 0.904540 0.247512 Co\n0.854166 0.902161 0.749460 Co\n0.999272 0.000500 0.002330 Cu\n0.000263 0.502372 0.000709 Cu\n0.499877 0.999003 0.001325 Cu\n0.751068 0.750285 0.001837 Cu\n0.118128 0.118370 0.481918 O\n0.119260 0.119333 0.985749 O\n0.119747 0.619948 0.483911 O\n0.111352 0.624526 0.985295 O\n0.618028 0.115922 0.481650 O\n0.617926 0.116490 0.986029 O\n0.617817 0.619286 0.482806 O\n0.621180 0.616756 0.982034 O\n0.133366 0.384603 0.017596 O\n0.135733 0.381751 0.516669 O\n0.130771 0.881468 0.018689 O\n0.136384 0.880768 0.518386 O\n0.635610 0.380082 0.022357 O\n0.635181 0.382410 0.516977 O\n0.632036 0.877749 0.017721 O\n0.634758 0.878875 0.520563 O\n0.368264 0.111694 0.482583 O\n0.364397 0.109718 0.983432 O\n0.370209 0.615432 0.483450 O\n0.367886 0.615395 0.987437 O\n0.868553 0.113380 0.482024 O\n0.861002 0.106745 0.980397 O\n0.868283 0.615388 0.481430 O\n0.866588 0.614904 0.985099 O\n0.386497 0.390010 0.023961 O\n0.385679 0.387023 0.516847 O\n0.383077 0.890797 0.020124 O\n0.389359 0.883464 0.519190 O\n0.878461 0.393044 0.015289 O\n0.885325 0.386798 0.516107 O\n0.877690 0.884182 0.014960 O\n0.884312 0.884130 0.515926 O\n0.117860 0.125546 0.151049 O\n0.089727 0.111144 0.642309 O\n0.118551 0.626418 0.150817 O\n0.089582 0.612860 0.642380 O\n0.615695 0.124157 0.149927 O\n0.592456 0.114082 0.642985 O\n0.608187 0.620894 0.142100 O\n0.591932 0.614070 0.640701 O\n0.449826 0.387243 0.356676 O\n0.462533 0.388559 0.860154 O\n0.447137 0.887600 0.357203 O\n0.469146 0.876296 0.849924 O\n0.946504 0.389739 0.357002 O\n0.954677 0.375704 0.850687 O\n0.945769 0.889700 0.359269 O\n0.965857 0.878394 0.850616 O\n0.354447 0.274264 0.141283 O\n0.340477 0.280224 0.641676 O\n0.356585 0.776797 0.141918 O\n0.350968 0.780565 0.641284 O\n0.849352 0.273515 0.139562 O\n0.837926 0.282561 0.639695 O\n0.867684 0.774362 0.149896 O\n0.839989 0.778262 0.639595 O\n0.197835 0.218931 0.359250 O\n0.204059 0.222562 0.860694 O\n0.195561 0.721877 0.360463 O\n0.207703 0.725176 0.861134 O\n0.697200 0.218961 0.359524 O\n0.699222 0.223353 0.860456 O\n0.696009 0.718615 0.356751 O\n0.717551 0.725481 0.850477 O\n0.417743 0.066885 0.244116 O\n0.420450 0.070716 0.750881 O\n0.418650 0.568309 0.243997 O\n0.425248 0.568452 0.750692 O\n0.916836 0.067375 0.243254 O\n0.921787 0.066241 0.749802 O\n0.917852 0.565376 0.243198 O\n0.923438 0.574697 0.757008 O\n0.174432 0.433648 0.250052 O\n0.174744 0.434665 0.751421 O\n0.167721 0.926100 0.244300 O\n0.177132 0.931948 0.756947 O\n0.665822 0.427469 0.243670 O\n0.671462 0.432472 0.756155 O\n0.666828 0.925306 0.243751 O\n0.668960 0.928221 0.750396 O\n",
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"elements": [
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"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-La-O-Sm",
"density": 6.519054947920905,
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"volume_molar": 8.27349690782783,
"formula_full": "La20 Sm12 Co28 Cu4 O80",
"formula_reduced": "La5Sm3Co7CuO20",
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"energy": -1098.48355491,
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"updated_at": "2021-11-28T01:35:45.247000Z",
"spacegroup": 1
},
{
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{
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"elements": [
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],
"chemical_system": "Ni-O-Ru-Sr",
"density": 6.708976523971775,
"density_atomic": 0.0878677270510438,
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"formula_full": "Sr8 Ni8 Ru40 O88",
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"updated_at": "2021-11-28T01:35:30.957000Z",
"spacegroup": 176
},
{
"id": "mp-1076509",
"created_at": "2022-09-04T14:39:16.256393Z",
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"updated_at": "2021-11-28T01:34:38.698000Z",
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}
]
}