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{
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"results": [
{
"id": "mp-25302",
"created_at": "2022-09-04T14:47:41.950885Z",
"structure_string": "Cr1 O2\n1.0\n4.866586 -1.489968 0.000000\n4.866586 1.489968 0.000000\n4.410413 0.000000 2.540063\nCr O\n1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.769082 0.769082 0.769082 O\n0.230918 0.230918 0.230918 O\n",
"nsites": 3,
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"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.7863973474646593,
"density_atomic": 0.08144143682867448,
"volume": 36.8362852722134,
"volume_molar": 7.394443166159467,
"formula_full": "Cr1 O2",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy": -25.06941692,
"energy_per_atom": -8.356472306666666,
"energy_above_hull": null,
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"band_gap": 0.3688999999999999,
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"updated_at": "2021-11-28T01:38:21Z",
"spacegroup": 166
},
{
"id": "mp-773021",
"created_at": "2022-09-04T14:47:55.816095Z",
"structure_string": "Li2 V12 O29\n1.0\n1.838477 14.162166 0.000000\n-1.838477 14.162166 0.000000\n0.000000 2.117346 10.157225\nLi V O\n2 12 29\ndirect\n0.750687 0.750687 0.598324 Li\n0.249313 0.249313 0.401676 Li\n0.937743 0.937743 0.090431 V\n0.851606 0.851606 0.356924 V\n0.823372 0.823372 0.032818 V\n0.696200 0.696200 0.201657 V\n0.607509 0.607509 0.458600 V\n0.585258 0.585258 0.138337 V\n0.414742 0.414742 0.861663 V\n0.392491 0.392491 0.541400 V\n0.303800 0.303800 0.798343 V\n0.176628 0.176628 0.967182 V\n0.148394 0.148394 0.643076 V\n0.062257 0.062257 0.909569 V\n0.940725 0.940725 0.245272 O\n0.901207 0.901207 0.910913 O\n0.876111 0.876111 0.524496 O\n0.859202 0.859202 0.161513 O\n0.806351 0.806351 0.856365 O\n0.790908 0.790908 0.408995 O\n0.767121 0.767121 0.125920 O\n0.703636 0.703636 0.357490 O\n0.629711 0.629711 0.626953 O\n0.667598 0.667598 0.014448 O\n0.621876 0.621876 0.270597 O\n0.571557 0.571557 0.953445 O\n0.550160 0.550160 0.489969 O\n0.531461 0.531461 0.222817 O\n0.468539 0.468539 0.777183 O\n0.000000 0.000000 0.000000 O\n0.449840 0.449840 0.510031 O\n0.428443 0.428443 0.046555 O\n0.378124 0.378124 0.729403 O\n0.332402 0.332402 0.985552 O\n0.370289 0.370289 0.373047 O\n0.296364 0.296364 0.642510 O\n0.232879 0.232879 0.874080 O\n0.209092 0.209092 0.591005 O\n0.193649 0.193649 0.143635 O\n0.140798 0.140798 0.838487 O\n0.123889 0.123889 0.475504 O\n0.098793 0.098793 0.089087 O\n0.059275 0.059275 0.754728 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.4193918103042833,
"density_atomic": 0.08129718450683773,
"volume": 528.9236061598587,
"volume_molar": 7.407563738561562,
"formula_full": "Li2 V12 O29",
"formula_reduced": "Li2V12O29",
"formula_anonymous": "A2B12C29",
"energy": -356.56414272,
"energy_per_atom": -8.292189365581395,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -316.24114272,
"band_gap": 0.0114999999999998,
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"is_magnetic": true,
"total_magnetization": 3.9522005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.086000Z",
"spacegroup": 12
},
{
"id": "mp-1205023",
"created_at": "2022-09-04T14:47:41.987723Z",
"structure_string": "Sr32 Mn16 Bi32 O104\n1.0\n0.000000 -5.532395 0.000000\n-22.224361 0.000000 0.000000\n0.000000 0.000000 -23.774908\nSr Mn Bi O\n32 16 32 104\ndirect\n0.754255 0.383276 0.681102 Sr\n0.254255 0.616724 0.318898 Sr\n0.254255 0.116724 0.181102 Sr\n0.754255 0.883276 0.818898 Sr\n0.247640 0.262656 0.667281 Sr\n0.747640 0.737344 0.332719 Sr\n0.747640 0.237344 0.167281 Sr\n0.247640 0.762656 0.832719 Sr\n0.747042 0.130926 0.648966 Sr\n0.247042 0.869074 0.351034 Sr\n0.247042 0.369074 0.148966 Sr\n0.747042 0.630926 0.851034 Sr\n0.244824 0.990156 0.646839 Sr\n0.744824 0.009844 0.353161 Sr\n0.744824 0.509844 0.146839 Sr\n0.244824 0.490156 0.853161 Sr\n0.749404 0.861505 0.666621 Sr\n0.249404 0.138495 0.333379 Sr\n0.249404 0.638495 0.166621 Sr\n0.749404 0.361505 0.833379 Sr\n0.253416 0.739042 0.680704 Sr\n0.753416 0.260958 0.319296 Sr\n0.753416 0.760958 0.180704 Sr\n0.253416 0.239042 0.819296 Sr\n0.751603 0.619296 0.691470 Sr\n0.251603 0.380704 0.308530 Sr\n0.251603 0.880704 0.191470 Sr\n0.751603 0.119296 0.808530 Sr\n0.251882 0.502139 0.691989 Sr\n0.751882 0.497861 0.308011 Sr\n0.751882 0.997861 0.191989 Sr\n0.251882 0.002139 0.808011 Sr\n0.251269 0.373513 0.761822 Mn\n0.751269 0.626487 0.238178 Mn\n0.751269 0.126487 0.261822 Mn\n0.251269 0.873513 0.738178 Mn\n0.749621 0.248973 0.741579 Mn\n0.249621 0.751027 0.258421 Mn\n0.249621 0.251027 0.241579 Mn\n0.749621 0.748973 0.758421 Mn\n0.248517 0.124834 0.724778 Mn\n0.748517 0.875166 0.275222 Mn\n0.748517 0.375166 0.224778 Mn\n0.248517 0.624834 0.775222 Mn\n0.748208 0.997178 0.723387 Mn\n0.248208 0.002822 0.276613 Mn\n0.248208 0.502822 0.223387 Mn\n0.748208 0.497178 0.776613 Mn\n0.276551 0.391527 0.566280 Bi\n0.776551 0.608473 0.433720 Bi\n0.776551 0.108473 0.066280 Bi\n0.276551 0.891527 0.933720 Bi\n0.728384 0.272325 0.557473 Bi\n0.228384 0.727675 0.442527 Bi\n0.228384 0.227675 0.057473 Bi\n0.728384 0.772325 0.942527 Bi\n0.259893 0.128705 0.553898 Bi\n0.759893 0.871295 0.446102 Bi\n0.759893 0.371295 0.053898 Bi\n0.259893 0.628705 0.946102 Bi\n0.753840 0.997795 0.551523 Bi\n0.253840 0.002204 0.448477 Bi\n0.253840 0.502205 0.051523 Bi\n0.753840 0.497796 0.948477 Bi\n0.231461 0.850614 0.556260 Bi\n0.731461 0.149386 0.443740 Bi\n0.731461 0.649386 0.056260 Bi\n0.231461 0.350614 0.943740 Bi\n0.774528 0.731125 0.567819 Bi\n0.274528 0.268875 0.432181 Bi\n0.274528 0.768875 0.067819 Bi\n0.774528 0.231125 0.932181 Bi\n0.231359 0.616621 0.574382 Bi\n0.731359 0.383379 0.425618 Bi\n0.731359 0.883379 0.074382 Bi\n0.231359 0.116621 0.925618 Bi\n0.730228 0.503859 0.573677 Bi\n0.230228 0.496141 0.426323 Bi\n0.230228 0.996141 0.073677 Bi\n0.730228 0.003859 0.926323 Bi\n0.661134 0.400631 0.572246 O\n0.161134 0.599369 0.427754 O\n0.161134 0.099369 0.072246 O\n0.661134 0.900631 0.927754 O\n0.344449 0.292898 0.560152 O\n0.844449 0.707102 0.439848 O\n0.844449 0.207102 0.060152 O\n0.344449 0.792898 0.939848 O\n0.660553 0.179145 0.548660 O\n0.160553 0.820855 0.451340 O\n0.160553 0.320855 0.048660 O\n0.660553 0.679145 0.951340 O\n0.989575 0.062828 0.582944 O\n0.489575 0.937172 0.417056 O\n0.489575 0.437172 0.082944 O\n0.989575 0.562828 0.917056 O\n0.487263 0.060594 0.584831 O\n0.987263 0.939406 0.415169 O\n0.987263 0.439406 0.084831 O\n0.487263 0.560594 0.915169 O\n0.163939 0.942926 0.546061 O\n0.663939 0.057074 0.453939 O\n0.663939 0.557074 0.046061 O\n0.163939 0.442926 0.953939 O\n0.849629 0.828183 0.566073 O\n0.349629 0.171817 0.433927 O\n0.349629 0.671817 0.066073 O\n0.849629 0.328183 0.933927 O\n0.159445 0.719476 0.572915 O\n0.659445 0.280524 0.427085 O\n0.659445 0.780524 0.072915 O\n0.159445 0.219476 0.927085 O\n0.842718 0.610206 0.579221 O\n0.342718 0.389794 0.420779 O\n0.342718 0.889794 0.079221 O\n0.842718 0.110206 0.920779 O\n0.340789 0.509623 0.579270 O\n0.840789 0.490377 0.420730 O\n0.840789 0.990377 0.079270 O\n0.340789 0.009623 0.920730 O\n0.227296 0.385249 0.653952 O\n0.727296 0.614751 0.346048 O\n0.727296 0.114751 0.153952 O\n0.227296 0.885249 0.846048 O\n0.763520 0.266730 0.646760 O\n0.263520 0.733270 0.353240 O\n0.263520 0.233270 0.146760 O\n0.763520 0.766730 0.853240 O\n0.231991 0.156702 0.638634 O\n0.731991 0.843298 0.361366 O\n0.731991 0.343298 0.138634 O\n0.231991 0.656702 0.861366 O\n0.733013 0.967991 0.638221 O\n0.233013 0.032009 0.361779 O\n0.233013 0.532009 0.138221 O\n0.733013 0.467991 0.861779 O\n0.264410 0.857703 0.649423 O\n0.764410 0.142297 0.350577 O\n0.764410 0.642297 0.149423 O\n0.264410 0.357703 0.850577 O\n0.727502 0.734454 0.656571 O\n0.227502 0.265546 0.343429 O\n0.227502 0.765546 0.156571 O\n0.727502 0.234454 0.843429 O\n0.271109 0.618159 0.662722 O\n0.771109 0.381841 0.337278 O\n0.771109 0.881841 0.162722 O\n0.271109 0.118159 0.837278 O\n0.771617 0.502460 0.661674 O\n0.271617 0.497540 0.338326 O\n0.271617 0.997540 0.161674 O\n0.771617 0.002460 0.838326 O\n0.008656 0.437794 0.762562 O\n0.508656 0.562206 0.237438 O\n0.508656 0.062206 0.262562 O\n0.008656 0.937794 0.737438 O\n0.507379 0.433809 0.758383 O\n0.007379 0.566191 0.241617 O\n0.007379 0.066191 0.258383 O\n0.507379 0.933809 0.741617 O\n0.993083 0.313075 0.751180 O\n0.493083 0.686925 0.248820 O\n0.493083 0.186925 0.251180 O\n0.993083 0.813075 0.748820 O\n0.492592 0.309644 0.748419 O\n0.992592 0.690356 0.251581 O\n0.992592 0.190356 0.248419 O\n0.492592 0.809644 0.751581 O\n0.007500 0.188627 0.741359 O\n0.507500 0.811373 0.258641 O\n0.507500 0.311373 0.241359 O\n0.007500 0.688627 0.758641 O\n0.508386 0.184581 0.737483 O\n0.008386 0.815419 0.262517 O\n0.008386 0.315419 0.237483 O\n0.508386 0.684581 0.762517 O\n0.988832 0.063525 0.726089 O\n0.488832 0.936475 0.273911 O\n0.488832 0.436475 0.226089 O\n0.988832 0.563525 0.773911 O\n0.489693 0.058764 0.726037 O\n0.989693 0.941236 0.273963 O\n0.989693 0.441236 0.226037 O\n0.489693 0.558764 0.773963 O\n",
"nsites": 184,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.836023373341331,
"density_atomic": 0.06294431547547476,
"volume": 2923.218699100678,
"volume_molar": 9.567410042526287,
"formula_full": "Sr32 Mn16 Bi32 O104",
"formula_reduced": "Sr4Mn2Bi4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -1261.51405968,
"energy_per_atom": -6.856054672173912,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -1163.37805968,
"band_gap": 0.0,
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"total_magnetization": 64.0000893,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.379000Z",
"spacegroup": 33
},
{
"id": "mp-1216626",
"created_at": "2022-09-04T14:47:59.866779Z",
"structure_string": "Tm1 Cr2 Fe10\n1.0\n0.000000 0.000000 4.690115\n-4.215865 4.185310 2.345058\n-4.215865 -4.185310 -2.345058\nTm Cr Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.367269 0.367269 Cr\n0.000000 0.632731 0.632731 Cr\n0.724312 0.775688 0.224312 Fe\n0.275688 0.224312 0.775688 Fe\n0.500000 0.773554 0.773554 Fe\n0.500000 0.226446 0.226446 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.641093 0.358907 0.641093 Fe\n0.358907 0.641093 0.358907 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Tm",
"density": 8.341016513511653,
"density_atomic": 0.07854445642278132,
"volume": 165.5113625081939,
"volume_molar": 7.667174787721002,
"formula_full": "Tm1 Cr2 Fe10",
"formula_reduced": "Tm(CrFe5)2",
"formula_anonymous": "AB2C10",
"energy": -108.56182006000002,
"energy_per_atom": -8.350909235384616,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -108.56182006000002,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 17.1877526,
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"updated_at": "2021-11-28T01:38:28.058000Z",
"spacegroup": 71
},
{
"id": "mp-1234512",
"created_at": "2022-09-04T14:47:59.868560Z",
"structure_string": "Mg1 Mn6 Nb4 O18\n1.0\n5.367558 -0.074728 -0.257555\n-2.747113 4.786963 0.464523\n-0.730381 1.106840 15.262002\nMg Mn Nb O\n1 6 4 18\ndirect\n0.023127 0.927027 0.512170 Mg\n0.597975 0.319803 0.681924 Mn\n0.677418 0.397485 0.978619 Mn\n0.699010 0.272230 0.453908 Mn\n0.348825 0.575989 0.487957 Mn\n0.351174 0.722375 0.006430 Mn\n0.678635 0.354965 0.180826 Mn\n0.005273 0.116551 0.870932 Nb\n0.014719 0.003752 0.138696 Nb\n0.933067 0.967855 0.678973 Nb\n0.019891 0.994740 0.331780 Nb\n0.373800 0.349304 0.089733 O\n0.691207 0.777865 0.925736 O\n0.958672 0.243970 0.235913 O\n0.343724 0.077825 0.245185 O\n0.977991 0.675110 0.094175 O\n0.670215 0.645023 0.588516 O\n0.722140 0.059459 0.753181 O\n0.029746 0.411499 0.922705 O\n0.044067 0.686751 0.427172 O\n0.296427 0.031794 0.617030 O\n0.244039 0.205451 0.760613 O\n0.935415 0.218729 0.563774 O\n0.805391 0.707212 0.246868 O\n0.297100 0.062432 0.936604 O\n0.711956 0.049825 0.081064 O\n0.719575 0.942996 0.407606 O\n0.312105 0.253430 0.416813 O\n0.850652 0.615216 0.746933 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
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"Mn",
"Nb",
"O"
],
"chemical_system": "Mg-Mn-Nb-O",
"density": 4.358371813500021,
"density_atomic": 0.07509808470708261,
"volume": 386.161645974241,
"volume_molar": 8.01903375231092,
"formula_full": "Mg1 Mn6 Nb4 O18",
"formula_reduced": "MgMn6Nb4O18",
"formula_anonymous": "AB4C6D18",
"energy": -258.15102965,
"energy_per_atom": -8.901759643103448,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -235.77702965,
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"is_magnetic": true,
"total_magnetization": 27.9999996,
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"updated_at": "2021-11-28T01:38:29.409000Z",
"spacegroup": 1
},
{
"id": "mp-1215934",
"created_at": "2022-09-04T14:47:46.090767Z",
"structure_string": "Y2 Mn2 Al2\n1.0\n-2.749386 2.770721 3.821651\n2.749386 -2.770721 3.821651\n2.749386 2.770721 -3.821651\nY Mn Al\n2 2 2\ndirect\n0.128999 0.878999 0.250000 Y\n0.871001 0.121001 0.750000 Y\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 6,
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"elements": [
"Y",
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"Al"
],
"chemical_system": "Al-Mn-Y",
"density": 4.871829673828188,
"density_atomic": 0.05152425510602148,
"volume": 116.450009566442,
"volume_molar": 11.687972485207672,
"formula_full": "Y2 Mn2 Al2",
"formula_reduced": "YMnAl",
"formula_anonymous": "ABC",
"energy": -40.18216582,
"energy_per_atom": -6.697027636666667,
"energy_above_hull": null,
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"energy_uncorrected": -40.18216582,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.3124225,
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"updated_at": "2021-11-28T01:38:22.357000Z",
"spacegroup": 74
},
{
"id": "mp-1291989",
"created_at": "2022-09-04T14:47:41.213931Z",
"structure_string": "Li2 V6 O10 F2\n1.0\n2.533758 -4.419632 0.049106\n7.765024 4.513163 -0.177714\n-2.620524 1.371476 4.660447\nLi V O F\n2 6 10 2\ndirect\n0.337188 0.432877 0.604845 Li\n0.813018 0.927697 0.597942 Li\n0.202967 0.092943 0.432369 V\n0.704652 0.585942 0.435327 V\n0.008237 0.683916 0.056193 V\n0.511644 0.180273 0.051585 V\n0.984959 0.320501 0.958301 V\n0.474510 0.824153 0.977623 V\n0.439552 0.031004 0.230045 O\n0.947370 0.536268 0.203511 O\n0.542214 0.254181 0.747479 O\n0.041980 0.755297 0.762637 O\n0.079907 0.129214 0.739519 O\n0.587267 0.638739 0.763098 O\n0.427541 0.379534 0.237962 O\n0.942966 0.881345 0.246342 O\n0.972288 0.206628 0.239034 O\n0.449299 0.714437 0.243142 O\n0.011719 0.459718 0.722881 F\n0.520718 0.965331 0.750165 F\n",
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