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{
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"results": [
{
"id": "mp-1076194",
"created_at": "2022-09-04T14:42:53.208713Z",
"structure_string": "La24 Sm8 Cr16 Fe16 O80\n1.0\n0.000140 -0.007049 11.185609\n11.558163 -0.010144 0.000074\n-5.793618 16.145184 -5.602967\nLa Sm Cr Fe O\n24 8 16 16 80\ndirect\n0.301744 0.062893 0.613225 La\n0.301541 0.564349 0.613960 La\n0.802036 0.065071 0.614177 La\n0.802485 0.564168 0.616425 La\n0.188093 0.434986 0.385888 La\n0.184679 0.438565 0.886397 La\n0.186260 0.934936 0.383598 La\n0.688066 0.436357 0.386793 La\n0.687973 0.935838 0.386178 La\n0.687768 0.936304 0.886722 La\n0.050473 0.300366 0.114445 La\n0.051887 0.299676 0.613627 La\n0.051795 0.800935 0.615143 La\n0.552008 0.299082 0.114228 La\n0.551686 0.301576 0.615279 La\n0.549324 0.800392 0.114448 La\n0.551820 0.800015 0.613959 La\n0.435911 0.198261 0.383845 La\n0.438591 0.200809 0.886275 La\n0.435885 0.699005 0.383623 La\n0.435420 0.698560 0.885870 La\n0.935564 0.198044 0.383340 La\n0.936566 0.198687 0.886118 La\n0.935947 0.698221 0.383681 La\n0.297413 0.063242 0.112626 Sm\n0.297399 0.563857 0.112883 Sm\n0.798164 0.063232 0.112163 Sm\n0.799588 0.564993 0.112343 Sm\n0.186625 0.936128 0.888949 Sm\n0.687956 0.436533 0.890043 Sm\n0.049186 0.796610 0.111493 Sm\n0.938315 0.702425 0.888122 Sm\n0.998768 0.000014 0.002168 Cr\n0.998917 0.999364 0.499546 Cr\n0.996803 0.501711 0.000194 Cr\n0.998838 0.500014 0.499777 Cr\n0.496952 0.000773 0.000443 Cr\n0.498555 0.000041 0.499278 Cr\n0.498085 0.501160 0.001423 Cr\n0.499048 0.500021 0.499914 Cr\n0.248547 0.250012 0.000507 Cr\n0.248378 0.249438 0.499242 Cr\n0.247329 0.752532 0.001894 Cr\n0.248356 0.749765 0.499275 Cr\n0.749101 0.251837 0.001796 Cr\n0.748427 0.250448 0.500042 Cr\n0.748889 0.750254 0.000493 Cr\n0.749027 0.750156 0.499864 Cr\n0.109239 0.101287 0.245853 Fe\n0.113718 0.105034 0.752462 Fe\n0.109940 0.605401 0.246669 Fe\n0.111258 0.608461 0.752437 Fe\n0.610371 0.103370 0.247530 Fe\n0.613521 0.107507 0.751469 Fe\n0.610472 0.603789 0.246753 Fe\n0.615445 0.604072 0.753706 Fe\n0.360877 0.392564 0.246856 Fe\n0.364827 0.395588 0.751503 Fe\n0.356918 0.893042 0.246618 Fe\n0.360368 0.895632 0.752135 Fe\n0.860648 0.393493 0.247490 Fe\n0.859681 0.397431 0.752994 Fe\n0.861558 0.892483 0.245736 Fe\n0.865654 0.893553 0.752762 Fe\n0.110658 0.116315 0.476518 O\n0.111940 0.113023 0.975609 O\n0.111027 0.616338 0.476582 O\n0.105351 0.620998 0.975619 O\n0.610671 0.117235 0.476677 O\n0.610911 0.118535 0.978966 O\n0.610922 0.617402 0.477460 O\n0.611740 0.613995 0.975247 O\n0.134459 0.385365 0.025088 O\n0.134106 0.383263 0.522240 O\n0.133598 0.884439 0.028094 O\n0.133744 0.882870 0.522001 O\n0.634729 0.385818 0.023541 O\n0.634742 0.384474 0.523513 O\n0.634847 0.884691 0.024828 O\n0.634513 0.883948 0.522191 O\n0.360808 0.110002 0.476288 O\n0.356658 0.106598 0.973027 O\n0.361746 0.610901 0.477216 O\n0.359886 0.611183 0.978754 O\n0.862233 0.111690 0.478549 O\n0.861178 0.110607 0.978987 O\n0.862008 0.611250 0.476922 O\n0.857371 0.608089 0.971987 O\n0.383977 0.394940 0.028285 O\n0.383593 0.388504 0.521258 O\n0.380059 0.896149 0.026012 O\n0.384116 0.888402 0.521376 O\n0.881166 0.396659 0.026244 O\n0.883758 0.389951 0.522442 O\n0.886158 0.893031 0.029498 O\n0.884261 0.889025 0.522243 O\n0.114703 0.122220 0.144052 O\n0.103074 0.117646 0.644825 O\n0.112489 0.622783 0.142750 O\n0.101780 0.618858 0.644363 O\n0.613982 0.118410 0.143989 O\n0.603130 0.119617 0.643813 O\n0.616755 0.621566 0.144164 O\n0.602848 0.619365 0.645528 O\n0.457211 0.380847 0.355055 O\n0.468906 0.382033 0.856562 O\n0.456937 0.881869 0.354523 O\n0.464557 0.878859 0.856854 O\n0.957863 0.380471 0.355038 O\n0.962383 0.378608 0.857534 O\n0.957680 0.879863 0.354582 O\n0.969398 0.878047 0.857890 O\n0.358260 0.267240 0.143203 O\n0.352465 0.274933 0.643314 O\n0.357451 0.767168 0.143172 O\n0.351178 0.776924 0.644134 O\n0.856814 0.268524 0.143558 O\n0.852622 0.279346 0.645451 O\n0.865950 0.767626 0.143079 O\n0.853368 0.774165 0.644164 O\n0.206514 0.220827 0.354145 O\n0.214083 0.229678 0.856732 O\n0.208495 0.724136 0.355001 O\n0.213026 0.729870 0.858270 O\n0.707656 0.223352 0.355711 O\n0.711579 0.228720 0.858125 O\n0.706735 0.723634 0.355338 O\n0.723708 0.728823 0.856219 O\n0.417808 0.066360 0.244458 O\n0.422951 0.068597 0.750069 O\n0.418017 0.567188 0.243602 O\n0.424306 0.569798 0.749690 O\n0.917190 0.067034 0.243624 O\n0.922824 0.068224 0.750078 O\n0.917975 0.566994 0.243241 O\n0.923226 0.574248 0.756591 O\n0.173276 0.432693 0.250617 O\n0.174231 0.433018 0.749781 O\n0.165831 0.924154 0.243317 O\n0.172530 0.930986 0.756973 O\n0.672796 0.431010 0.250591 O\n0.671806 0.430827 0.757188 O\n0.674842 0.930548 0.250585 O\n0.675175 0.932248 0.750505 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-La-O-Sm",
"density": 6.003122352608558,
"density_atomic": 0.06902443481426986,
"volume": 2086.217734161439,
"volume_molar": 8.72465059106142,
"formula_full": "La24 Sm8 Cr16 Fe16 O80",
"formula_reduced": "La3SmCr2(FeO5)2",
"formula_anonymous": "AB2C2D3E10",
"energy": -1243.7813535,
"energy_per_atom": -8.637370510416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1120.7413535,
"band_gap": 0.9252000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 127.6870247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.443000Z",
"spacegroup": 1
},
{
"id": "mp-1233336",
"created_at": "2022-09-04T14:42:53.217970Z",
"structure_string": "Ca1 Mn6 O4 F8\n1.0\n-5.313299 0.391692 -0.025736\n-0.437206 5.093778 -6.399142\n0.378102 -5.071328 -3.189182\nCa Mn O F\n1 6 4 8\ndirect\n0.050340 0.813643 0.346839 Ca\n0.514329 0.020121 0.488171 Mn\n0.592760 0.659938 0.138939 Mn\n0.477811 0.332234 0.828923 Mn\n0.885642 0.630413 0.711966 Mn\n0.991737 0.317658 0.322445 Mn\n0.022989 0.001381 0.941645 Mn\n0.855517 0.781484 0.992714 O\n0.674968 0.784494 0.468124 O\n0.693342 0.413579 0.096358 O\n0.309050 0.233248 0.535204 O\n0.763262 0.401955 0.615526 F\n0.841546 0.081472 0.313836 F\n0.684155 0.106855 0.799228 F\n0.295964 0.564421 0.869198 F\n0.338155 0.923427 0.175253 F\n0.103977 0.555141 0.419178 F\n0.186931 0.231283 0.023475 F\n0.231411 0.922250 0.673398 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"O",
"F"
],
"chemical_system": "Ca-F-Mn-O",
"density": 3.7807451370555523,
"density_atomic": 0.07386067704751055,
"volume": 257.24107548835946,
"volume_molar": 8.153378767603613,
"formula_full": "Ca1 Mn6 O4 F8",
"formula_reduced": "CaMn6(OF2)4",
"formula_anonymous": "AB4C6D8",
"energy": -141.32466126999998,
"energy_per_atom": -7.438140066842104,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -124.87266127,
"band_gap": 0.0765,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0003305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.668000Z",
"spacegroup": 1
},
{
"id": "mp-1193806",
"created_at": "2022-09-04T14:42:53.232857Z",
"structure_string": "Er6 Sb8 Pd16\n1.0\n0.000000 6.628323 6.628323\n6.628323 0.000000 6.628323\n6.628323 6.628323 0.000000\nEr Sb Pd\n6 8 16\ndirect\n0.724354 0.724354 0.275646 Er\n0.275646 0.724354 0.275646 Er\n0.724354 0.275646 0.275646 Er\n0.275646 0.275646 0.724354 Er\n0.724354 0.275646 0.724354 Er\n0.275646 0.724354 0.724354 Er\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.881255 0.881255 0.356234 Pd\n0.881255 0.356234 0.881255 Pd\n0.356234 0.881255 0.881255 Pd\n0.881255 0.881255 0.881255 Pd\n0.118745 0.118745 0.643766 Pd\n0.118745 0.643766 0.118745 Pd\n0.643766 0.118745 0.118745 Pd\n0.118745 0.118745 0.118745 Pd\n0.666226 0.666226 0.001323 Pd\n0.666226 0.001323 0.666226 Pd\n0.001323 0.666226 0.666226 Pd\n0.666226 0.666226 0.666226 Pd\n0.333774 0.333774 0.998677 Pd\n0.333774 0.998677 0.333774 Pd\n0.998677 0.333774 0.333774 Pd\n0.333774 0.333774 0.333774 Pd\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Er",
"Sb",
"Pd"
],
"chemical_system": "Er-Pd-Sb",
"density": 10.492952455715216,
"density_atomic": 0.051508661964154934,
"volume": 582.426311537215,
"volume_molar": 11.691510768015737,
"formula_full": "Er6 Sb8 Pd16",
"formula_reduced": "Er3(SbPd2)4",
"formula_anonymous": "A3B4C8",
"energy": -168.15515786,
"energy_per_atom": -5.605171928666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -168.15515786,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0806519,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.211000Z",
"spacegroup": 225
},
{
"id": "mp-22422",
"created_at": "2022-09-04T14:42:53.246951Z",
"structure_string": "Ce6 Te8\n1.0\n-4.770874 4.770874 4.770874\n4.770874 -4.770874 4.770874\n4.770874 4.770874 -4.770874\nCe Te\n6 8\ndirect\n0.875000 0.125000 0.750000 Ce\n0.375000 0.250000 0.625000 Ce\n0.125000 0.750000 0.875000 Ce\n0.750000 0.875000 0.125000 Ce\n0.250000 0.625000 0.375000 Ce\n0.625000 0.375000 0.250000 Ce\n0.652904 0.652904 0.652904 Te\n0.500000 0.000000 0.347096 Te\n0.000000 0.347096 0.500000 Te\n0.347096 0.500000 0.000000 Te\n0.000000 0.847096 0.500000 Te\n0.847096 0.500000 0.000000 Te\n0.152904 0.152904 0.152904 Te\n0.500000 0.000000 0.847096 Te\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ce",
"Te"
],
"chemical_system": "Ce-Te",
"density": 7.116351199402706,
"density_atomic": 0.03223103143347668,
"volume": 434.3640081421328,
"volume_molar": 18.684294272212213,
"formula_full": "Ce6 Te8",
"formula_reduced": "Ce3Te4",
"formula_anonymous": "A3B4",
"energy": -83.78478771,
"energy_per_atom": -5.984627693571428,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -80.40878771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9921192,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.890000Z",
"spacegroup": 220
},
{
"id": "mp-1213949",
"created_at": "2022-09-04T14:42:53.248561Z",
"structure_string": "Ca4 Y4 Si4 O20\n1.0\n-6.142760 0.000000 2.598360\n-0.476027 0.000000 -7.977007\n0.000000 -9.287916 0.000000\nCa Y Si O\n4 4 4 20\ndirect\n0.750617 0.757599 0.398461 Ca\n0.249383 0.242401 0.601539 Ca\n0.249383 0.742401 0.898461 Ca\n0.750617 0.257599 0.101539 Ca\n0.750252 0.994455 0.750702 Y\n0.249748 0.005545 0.249298 Y\n0.249748 0.505545 0.250702 Y\n0.750252 0.494455 0.749298 Y\n0.250981 0.756536 0.567351 Si\n0.749019 0.243464 0.432649 Si\n0.749019 0.743464 0.067351 Si\n0.250981 0.256536 0.932649 Si\n0.752515 0.743265 0.639725 O\n0.247485 0.256735 0.360275 O\n0.247485 0.756735 0.139725 O\n0.752515 0.243265 0.860275 O\n0.617637 0.836658 0.960552 O\n0.382363 0.163342 0.039448 O\n0.382363 0.663342 0.460552 O\n0.617637 0.336658 0.539448 O\n0.909283 0.895707 0.176292 O\n0.090717 0.104293 0.823708 O\n0.090717 0.604293 0.676292 O\n0.909283 0.395707 0.323708 O\n0.877009 0.646251 0.961965 O\n0.122991 0.353749 0.038035 O\n0.122991 0.853749 0.461965 O\n0.877009 0.146251 0.538035 O\n0.406946 0.900227 0.681742 O\n0.593054 0.099773 0.318258 O\n0.593054 0.599773 0.181742 O\n0.406946 0.400227 0.818258 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Y",
"density": 3.3746654389490676,
"density_atomic": 0.06858066629289755,
"volume": 466.6038073082126,
"volume_molar": 8.781105646131165,
"formula_full": "Ca4 Y4 Si4 O20",
"formula_reduced": "CaYSiO5",
"formula_anonymous": "ABCD5",
"energy": -259.23597445,
"energy_per_atom": -8.1011242015625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -245.49597445,
"band_gap": 0.0663,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0004352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.761000Z",
"spacegroup": 14
},
{
"id": "mp-1206277",
"created_at": "2022-09-04T14:42:53.534180Z",
"structure_string": "Tb2 Zn1 Sb3\n1.0\n9.202676 0.000000 0.000000\n0.000000 9.202676 0.000000\n0.000000 0.000000 40.040695\nTb Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243068 Tb\n0.500000 0.500000 0.756932 Tb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.691061 Sb\n0.500000 0.500000 0.308939 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Zn",
"Sb"
],
"chemical_system": "Sb-Tb-Zn",
"density": 0.36655071006493717,
"density_atomic": 0.001769381080884691,
"volume": 3391.016251287144,
"volume_molar": 340.3529530783118,
"formula_full": "Tb2 Zn1 Sb3",
"formula_reduced": "Tb2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -11.19840549,
"energy_per_atom": -1.866400915,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -10.62240549,
"band_gap": 0.1316999999999999,
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"is_magnetic": true,
"total_magnetization": 2.9275739,
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"updated_at": "2021-11-28T01:35:55.857000Z",
"spacegroup": 123
},
{
"id": "mp-1568351",
"created_at": "2022-09-04T14:42:53.267568Z",
"structure_string": "Li4 Cr4 P8 O28\n1.0\n4.461791 4.144796 -4.516341\n-8.861797 0.000239 -4.363556\n-4.461949 4.144821 4.516205\nLi Cr P O\n4 4 8 28\ndirect\n0.925604 0.250001 0.925590 Li\n0.425561 0.750007 0.425633 Li\n0.074316 0.749997 0.074270 Li\n0.574270 0.249973 0.574337 Li\n0.683389 0.499951 0.183399 Cr\n0.817071 0.000018 0.316738 Cr\n0.183260 0.999903 0.683401 Cr\n0.316894 0.500027 0.816820 Cr\n0.220640 0.026824 0.279329 P\n0.720651 0.526834 0.779371 P\n0.279320 0.473187 0.220648 P\n0.779284 0.973168 0.720568 P\n0.972905 0.694453 0.527163 P\n0.472899 0.194453 0.027098 P\n0.527168 0.805552 0.972912 P\n0.027146 0.305552 0.472932 P\n0.264711 0.618574 0.235256 O\n0.764719 0.118563 0.735219 O\n0.235146 0.881418 0.264647 O\n0.735215 0.381436 0.764680 O\n0.841739 0.647595 0.658463 O\n0.341596 0.147560 0.158286 O\n0.658232 0.852434 0.841499 O\n0.158253 0.352433 0.341594 O\n0.498021 0.638484 0.002096 O\n0.998072 0.138466 0.502127 O\n0.002004 0.861553 0.497935 O\n0.502003 0.361539 0.997934 O\n0.176376 0.435269 0.011431 O\n0.676441 0.935250 0.511353 O\n0.511443 0.564799 0.676496 O\n0.011453 0.064794 0.176422 O\n0.323484 0.064717 0.488552 O\n0.823537 0.564724 0.988591 O\n0.988467 0.935180 0.823536 O\n0.488513 0.435221 0.323555 O\n0.329939 0.851471 0.865756 O\n0.829964 0.351528 0.365722 O\n0.170088 0.648527 0.634332 O\n0.670116 0.148496 0.134268 O\n0.365586 0.148434 0.829941 O\n0.865607 0.648370 0.329994 O\n0.134380 0.351612 0.670058 O\n0.634519 0.851653 0.170052 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.1365315773634292,
"density_atomic": 0.0892195993681049,
"volume": 493.16518244453755,
"volume_molar": 6.749795787754741,
"formula_full": "Li4 Cr4 P8 O28",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -344.08209909000004,
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