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{
"count": 146323,
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"results": [
{
"id": "mp-15126",
"created_at": "2022-09-04T14:46:54.927834Z",
"structure_string": "Cs16 Mn8 Si40 O96\n1.0\n-13.902242 -0.000000 0.000000\n0.000000 0.000000 -14.012652\n0.000000 -14.014982 0.000000\nCs Mn Si O\n16 8 40 96\ndirect\n0.373397 0.649251 0.864112 Cs\n0.873397 0.350749 0.635888 Cs\n0.626603 0.850749 0.364112 Cs\n0.126603 0.149251 0.135888 Cs\n0.626603 0.350749 0.135888 Cs\n0.126603 0.649251 0.364112 Cs\n0.373397 0.149251 0.635888 Cs\n0.873397 0.850749 0.864112 Cs\n0.122913 0.888020 0.609652 Cs\n0.622913 0.111980 0.890348 Cs\n0.877087 0.611980 0.109652 Cs\n0.377087 0.388020 0.390348 Cs\n0.877087 0.111980 0.390348 Cs\n0.377087 0.888020 0.109652 Cs\n0.122913 0.388020 0.890348 Cs\n0.622913 0.611980 0.609652 Cs\n0.121361 0.433418 0.164086 Mn\n0.621361 0.566582 0.335914 Mn\n0.878639 0.066582 0.664086 Mn\n0.378639 0.933418 0.835914 Mn\n0.878639 0.566582 0.835914 Mn\n0.378639 0.433418 0.664086 Mn\n0.121361 0.933418 0.335914 Mn\n0.621361 0.066582 0.164086 Mn\n0.372174 0.099846 0.332331 Si\n0.872174 0.900154 0.167669 Si\n0.627826 0.400154 0.832331 Si\n0.127826 0.599846 0.667669 Si\n0.627826 0.900154 0.667669 Si\n0.127826 0.099846 0.832331 Si\n0.372174 0.599846 0.167669 Si\n0.872174 0.400154 0.332331 Si\n0.912244 0.136026 0.886876 Si\n0.412244 0.863974 0.613124 Si\n0.087756 0.363974 0.386876 Si\n0.587756 0.636026 0.113124 Si\n0.087756 0.863974 0.113124 Si\n0.587756 0.136026 0.386876 Si\n0.912244 0.636026 0.613124 Si\n0.412244 0.363974 0.886876 Si\n0.847302 0.608194 0.403403 Si\n0.347302 0.391806 0.096597 Si\n0.152698 0.891806 0.903403 Si\n0.652698 0.108194 0.596597 Si\n0.152698 0.391806 0.596597 Si\n0.652698 0.608194 0.903403 Si\n0.847302 0.108194 0.096597 Si\n0.347302 0.891806 0.403403 Si\n0.594976 0.318346 0.628755 Si\n0.094976 0.681654 0.871245 Si\n0.405024 0.181654 0.128755 Si\n0.905024 0.818346 0.371245 Si\n0.405024 0.681654 0.371245 Si\n0.905024 0.318346 0.128755 Si\n0.594976 0.818346 0.871245 Si\n0.094976 0.181654 0.628755 Si\n0.668206 0.849142 0.078622 Si\n0.168206 0.150858 0.421378 Si\n0.331794 0.650858 0.578622 Si\n0.831794 0.349142 0.921378 Si\n0.331794 0.150858 0.921378 Si\n0.831794 0.849142 0.578622 Si\n0.668206 0.349142 0.421378 Si\n0.168206 0.650858 0.078622 Si\n0.030146 0.652420 0.628999 O\n0.530146 0.347580 0.871001 O\n0.969854 0.847580 0.128999 O\n0.469854 0.152420 0.371001 O\n0.969854 0.347580 0.371001 O\n0.469854 0.652420 0.128999 O\n0.030146 0.152420 0.871001 O\n0.530146 0.847580 0.628999 O\n0.403114 0.909879 0.505461 O\n0.903114 0.090121 0.994539 O\n0.596886 0.590121 0.005461 O\n0.096887 0.409879 0.494539 O\n0.596886 0.090121 0.494539 O\n0.096887 0.909879 0.005461 O\n0.403114 0.409879 0.994539 O\n0.903114 0.590121 0.505461 O\n0.119018 0.983231 0.834757 O\n0.619018 0.016769 0.665243 O\n0.880982 0.516769 0.334757 O\n0.380982 0.483231 0.165243 O\n0.880982 0.016769 0.165243 O\n0.380982 0.983231 0.334757 O\n0.119018 0.483231 0.665243 O\n0.619018 0.516769 0.834757 O\n0.766209 0.120307 0.586281 O\n0.266209 0.879693 0.913719 O\n0.233791 0.379693 0.086281 O\n0.733791 0.620307 0.413719 O\n0.233791 0.879693 0.413719 O\n0.733791 0.120307 0.086281 O\n0.766209 0.620307 0.913719 O\n0.266209 0.379693 0.586281 O\n0.850849 0.869020 0.278307 O\n0.350849 0.130980 0.221693 O\n0.149151 0.630980 0.778307 O\n0.649151 0.369020 0.721693 O\n0.149151 0.130980 0.721693 O\n0.649151 0.869020 0.778307 O\n0.850849 0.369020 0.221693 O\n0.350849 0.630980 0.278307 O\n0.137894 0.258145 0.385725 O\n0.637894 0.741855 0.114275 O\n0.862106 0.241855 0.885725 O\n0.362106 0.758145 0.614275 O\n0.862106 0.741855 0.614275 O\n0.362106 0.258145 0.885725 O\n0.137894 0.758145 0.114275 O\n0.637894 0.241855 0.385725 O\n0.512878 0.148905 0.111061 O\n0.012878 0.851095 0.388939 O\n0.487122 0.351095 0.611062 O\n0.987122 0.648905 0.888938 O\n0.487122 0.851095 0.888938 O\n0.987122 0.148905 0.611062 O\n0.512878 0.648905 0.388939 O\n0.012878 0.351095 0.111061 O\n0.833884 0.350047 0.039730 O\n0.333884 0.649953 0.460270 O\n0.166116 0.149953 0.539730 O\n0.666116 0.850047 0.960270 O\n0.166116 0.649953 0.960270 O\n0.666116 0.350047 0.539730 O\n0.833884 0.850047 0.460270 O\n0.333884 0.149953 0.039730 O\n0.601793 0.425540 0.368682 O\n0.101793 0.574460 0.131318 O\n0.398207 0.074460 0.868682 O\n0.898207 0.925540 0.631318 O\n0.398207 0.574460 0.631318 O\n0.898207 0.425540 0.868682 O\n0.601793 0.925540 0.131318 O\n0.101793 0.074460 0.368682 O\n0.284798 0.637607 0.099706 O\n0.784798 0.362393 0.400294 O\n0.715202 0.862393 0.599706 O\n0.215202 0.137607 0.900294 O\n0.715202 0.362393 0.900294 O\n0.215202 0.637607 0.599706 O\n0.284798 0.137607 0.400294 O\n0.784798 0.862393 0.099706 O\n0.363419 0.431148 0.809005 O\n0.863419 0.568852 0.690995 O\n0.636581 0.068852 0.309005 O\n0.136581 0.931148 0.190995 O\n0.636581 0.568852 0.190995 O\n0.136581 0.431148 0.309005 O\n0.363419 0.931148 0.690995 O\n0.863419 0.068852 0.809005 O\n0.601451 0.701697 0.851684 O\n0.101451 0.298303 0.648316 O\n0.398549 0.798303 0.351684 O\n0.898549 0.201697 0.148316 O\n0.398549 0.298303 0.148316 O\n0.898549 0.701697 0.351684 O\n0.601451 0.201697 0.648316 O\n0.101451 0.798303 0.851684 O\n",
"nsites": 160,
"nelements": 4,
"elements": [
"Cs",
"Mn",
"Si",
"O"
],
"chemical_system": "Cs-Mn-O-Si",
"density": 3.178096568751881,
"density_atomic": 0.058603325026929394,
"volume": 2730.2205109774372,
"volume_molar": 10.27610763934078,
"formula_full": "Cs16 Mn8 Si40 O96",
"formula_reduced": "Cs2MnSi5O12",
"formula_anonymous": "AB2C5D12",
"energy": -1263.55478547,
"energy_per_atom": -7.8972174091875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1184.25878547,
"band_gap": 2.4585,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0000039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.269000Z",
"spacegroup": 61
},
{
"id": "mp-1099931",
"created_at": "2022-09-04T14:45:07.064847Z",
"structure_string": "La24 Sm8 V20 Cr12 O80\n1.0\n0.020419 0.008826 10.987185\n11.326668 0.023682 0.020988\n-5.643291 16.048720 -5.491205\nLa Sm V Cr O\n24 8 20 12 80\ndirect\n0.310051 0.062204 0.620220 La\n0.311694 0.558847 0.623953 La\n0.808400 0.059606 0.617611 La\n0.812229 0.561020 0.622130 La\n0.195518 0.435657 0.383949 La\n0.185317 0.441708 0.875899 La\n0.193685 0.940509 0.379296 La\n0.695094 0.436540 0.380782 La\n0.693597 0.938856 0.378221 La\n0.690859 0.940603 0.878469 La\n0.062102 0.311651 0.122135 La\n0.069030 0.309710 0.617978 La\n0.064544 0.815058 0.624160 La\n0.563452 0.311708 0.121060 La\n0.560069 0.313924 0.624633 La\n0.562280 0.812080 0.120889 La\n0.561229 0.814070 0.624862 La\n0.449958 0.192599 0.386301 La\n0.428315 0.183652 0.876510 La\n0.448938 0.693797 0.386153 La\n0.436075 0.683749 0.876612 La\n0.926254 0.182748 0.374603 La\n0.944866 0.186292 0.879202 La\n0.932545 0.685433 0.374614 La\n0.301499 0.059495 0.108436 Sm\n0.303708 0.557107 0.110026 Sm\n0.800884 0.059710 0.117971 Sm\n0.804124 0.559000 0.120002 Sm\n0.188946 0.937740 0.879495 Sm\n0.690213 0.439758 0.881324 Sm\n0.058161 0.807808 0.118761 Sm\n0.937361 0.692950 0.882065 Sm\n0.001441 0.996475 0.496952 V\n0.253706 0.250271 0.002064 V\n0.250795 0.248805 0.496091 V\n0.753334 0.250479 0.503467 V\n0.107612 0.115811 0.247431 V\n0.116887 0.132366 0.749696 V\n0.110746 0.618650 0.249922 V\n0.116151 0.634421 0.751749 V\n0.606994 0.134033 0.246490 V\n0.615413 0.131558 0.752274 V\n0.611151 0.634322 0.248361 V\n0.623109 0.629533 0.752507 V\n0.379806 0.389434 0.251921 V\n0.369408 0.367963 0.752723 V\n0.374240 0.886374 0.247616 V\n0.366049 0.867536 0.750436 V\n0.864296 0.367756 0.248712 V\n0.873906 0.376131 0.753851 V\n0.862749 0.867693 0.245101 V\n0.870524 0.871400 0.751143 V\n0.003530 0.998503 0.001611 Cr\n0.002128 0.502758 0.001880 Cr\n0.001875 0.503007 0.500290 Cr\n0.503151 0.996777 0.998575 Cr\n0.501867 0.996669 0.499954 Cr\n0.506122 0.500401 0.000772 Cr\n0.503773 0.502600 0.502772 Cr\n0.252225 0.750597 0.001503 Cr\n0.251076 0.748110 0.498235 Cr\n0.753501 0.251214 0.999728 Cr\n0.755466 0.749086 0.000003 Cr\n0.753344 0.748472 0.500629 Cr\n0.105626 0.107249 0.466984 O\n0.114706 0.100270 0.971002 O\n0.110259 0.613376 0.469379 O\n0.110637 0.616450 0.973859 O\n0.614253 0.102974 0.474476 O\n0.611440 0.113876 0.971295 O\n0.617982 0.611225 0.476207 O\n0.615538 0.610768 0.970045 O\n0.138422 0.394060 0.029549 O\n0.139958 0.395864 0.524731 O\n0.138256 0.883311 0.027942 O\n0.140165 0.885495 0.521687 O\n0.644068 0.389280 0.027146 O\n0.637500 0.392136 0.530886 O\n0.643657 0.886355 0.026895 O\n0.636245 0.880279 0.523579 O\n0.366729 0.105080 0.476455 O\n0.359524 0.097046 0.972356 O\n0.365129 0.612597 0.475262 O\n0.363721 0.610230 0.978109 O\n0.864051 0.105098 0.476656 O\n0.866897 0.112320 0.976945 O\n0.863369 0.612395 0.473027 O\n0.862592 0.608735 0.969898 O\n0.396136 0.398487 0.032545 O\n0.392170 0.395329 0.528174 O\n0.390051 0.890077 0.028714 O\n0.389472 0.885110 0.525336 O\n0.888482 0.396533 0.030058 O\n0.893023 0.396515 0.529785 O\n0.892810 0.892920 0.032854 O\n0.889582 0.885779 0.525402 O\n0.086420 0.103531 0.124511 O\n0.070726 0.101952 0.622783 O\n0.079281 0.607964 0.125656 O\n0.065274 0.608417 0.623752 O\n0.577051 0.101236 0.120024 O\n0.570912 0.101199 0.623673 O\n0.584126 0.605453 0.122596 O\n0.567451 0.607201 0.625482 O\n0.443059 0.398934 0.377342 O\n0.453565 0.394795 0.879481 O\n0.434397 0.895639 0.372383 O\n0.447836 0.891065 0.877109 O\n0.937874 0.393889 0.377245 O\n0.945587 0.394913 0.876002 O\n0.933304 0.891288 0.371436 O\n0.946191 0.893023 0.878589 O\n0.318897 0.270049 0.131391 O\n0.310543 0.271918 0.625284 O\n0.313943 0.766953 0.124899 O\n0.310479 0.768337 0.622027 O\n0.815491 0.263832 0.121710 O\n0.815305 0.278968 0.635270 O\n0.826752 0.760340 0.120704 O\n0.816781 0.769713 0.623509 O\n0.211890 0.218535 0.365264 O\n0.194398 0.235204 0.875126 O\n0.202088 0.726483 0.372080 O\n0.199975 0.734322 0.879344 O\n0.691557 0.224540 0.374086 O\n0.706746 0.235739 0.877645 O\n0.690647 0.728742 0.376909 O\n0.709792 0.733585 0.878184 O\n0.419159 0.065227 0.241793 O\n0.445724 0.039387 0.749182 O\n0.421487 0.568780 0.243583 O\n0.453319 0.538468 0.751525 O\n0.930816 0.040925 0.240529 O\n0.943087 0.045213 0.747389 O\n0.936284 0.537748 0.241690 O\n0.951179 0.545529 0.760695 O\n0.194320 0.447993 0.252819 O\n0.199586 0.462280 0.749167 O\n0.186031 0.940041 0.244218 O\n0.198910 0.961386 0.757631 O\n0.691333 0.460326 0.250726 O\n0.703575 0.456583 0.757068 O\n0.689874 0.960200 0.248479 O\n0.699161 0.960141 0.751992 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-Sm-V",
"density": 6.195619318412593,
"density_atomic": 0.0720273339106238,
"volume": 1999.2410128449924,
"volume_molar": 8.360910272581606,
"formula_full": "La24 Sm8 V20 Cr12 O80",
"formula_reduced": "La6Sm2V5Cr3O20",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1263.4293421700002,
"energy_per_atom": -8.773814876180557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1150.48134217,
"band_gap": 0.1981000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 107.9999958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.014000Z",
"spacegroup": 1
},
{
"id": "mp-1195883",
"created_at": "2022-09-04T14:47:40.425057Z",
"structure_string": "Rb16 Mn8 Si40 O96\n1.0\n-13.627353 0.000000 0.000000\n0.000000 0.000000 -13.861931\n0.000000 -13.980793 0.000000\nRb Mn Si O\n16 8 40 96\ndirect\n0.372054 0.651629 0.861539 Rb\n0.872054 0.348371 0.638461 Rb\n0.627946 0.848371 0.361539 Rb\n0.127946 0.151629 0.138461 Rb\n0.627946 0.348371 0.138461 Rb\n0.127946 0.651629 0.361539 Rb\n0.372054 0.151629 0.638461 Rb\n0.872054 0.848371 0.861539 Rb\n0.118059 0.893871 0.602897 Rb\n0.618059 0.106129 0.897103 Rb\n0.881941 0.606129 0.102897 Rb\n0.381941 0.393871 0.397103 Rb\n0.881941 0.106129 0.397103 Rb\n0.381941 0.893871 0.102897 Rb\n0.118059 0.393871 0.897103 Rb\n0.618059 0.606129 0.602897 Rb\n0.126467 0.440675 0.167979 Mn\n0.626467 0.559325 0.332021 Mn\n0.873533 0.059325 0.667979 Mn\n0.373533 0.940675 0.832021 Mn\n0.873533 0.559325 0.832021 Mn\n0.373533 0.440675 0.667979 Mn\n0.126467 0.940675 0.332021 Mn\n0.626467 0.059325 0.167979 Mn\n0.373473 0.103173 0.333073 Si\n0.873473 0.896827 0.166927 Si\n0.626527 0.396827 0.833073 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{
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{
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{
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{
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{
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Co\n0.141760 0.283520 0.500000 Co\n0.455499 0.544501 0.000000 Co\n0.455499 0.910998 0.000000 Co\n0.089002 0.544501 0.000000 Co\n0.544501 0.455499 0.000000 Co\n0.910998 0.455499 0.000000 Co\n0.544501 0.089002 0.000000 Co\n0.581520 0.581520 0.500000 Co\n0.418480 0.000000 0.500000 Co\n0.000000 0.418480 0.500000 Co\n0.418480 0.418480 0.500000 Co\n0.581520 0.000000 0.500000 Co\n0.000000 0.581520 0.500000 Co\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.871531 0.282233 0.500000 Si\n0.717767 0.589298 0.500000 Si\n0.410702 0.128469 0.500000 Si\n0.282233 0.871531 0.500000 Si\n0.589298 0.717767 0.500000 Si\n0.128469 0.410702 0.500000 Si\n0.128469 0.717767 0.500000 Si\n0.282233 0.410702 0.500000 Si\n0.589298 0.871531 0.500000 Si\n0.717767 0.128469 0.500000 Si\n0.410702 0.282233 0.500000 Si\n0.871531 0.589298 0.500000 Si\n0.821226 0.178774 0.764693 Si\n0.821226 0.642453 0.764693 Si\n0.357547 0.178774 0.764693 Si\n0.178774 0.821226 0.764693 Si\n0.642453 0.821226 0.764693 Si\n0.178774 0.357547 0.764693 Si\n0.178774 0.821226 0.235307 Si\n0.178774 0.357547 0.235307 Si\n0.642453 0.821226 0.235307 Si\n0.821226 0.178774 0.235307 Si\n0.357547 0.178774 0.235307 Si\n0.821226 0.642453 0.235307 Si\n0.395070 0.604930 0.818493 Si\n0.395070 0.790140 0.818493 Si\n0.209860 0.604930 0.818493 Si\n0.604930 0.395070 0.818493 Si\n0.790140 0.395070 0.818493 Si\n0.604930 0.209860 0.818493 Si\n0.604930 0.395070 0.181507 Si\n0.604930 0.209860 0.181507 Si\n0.790140 0.395070 0.181507 Si\n0.395070 0.604930 0.181507 Si\n0.209860 0.604930 0.181507 Si\n0.395070 0.790140 0.181507 Si\n0.854685 0.854685 0.500000 Si\n0.145315 0.000000 0.500000 Si\n0.000000 0.145315 0.500000 Si\n0.145315 0.145315 0.500000 Si\n0.854685 0.000000 0.500000 Si\n0.000000 0.854685 0.500000 Si\n0.838753 0.838753 0.000000 Si\n0.161247 0.000000 0.000000 Si\n0.000000 0.161247 0.000000 Si\n0.161247 0.161247 0.000000 Si\n0.838753 0.000000 0.000000 Si\n0.000000 0.838753 0.000000 Si\n0.612328 0.612328 0.000000 Si\n0.387672 0.000000 0.000000 Si\n0.000000 0.387672 0.000000 Si\n0.387672 0.387672 0.000000 Si\n0.612328 0.000000 0.000000 Si\n0.000000 0.612328 0.000000 Si\n0.500000 0.500000 0.739072 Si\n0.500000 0.000000 0.739072 Si\n0.000000 0.500000 0.739072 Si\n0.500000 0.500000 0.260928 Si\n0.500000 0.000000 0.260928 Si\n0.000000 0.500000 0.260928 Si\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 168,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Si"
],
"chemical_system": "Co-Nb-Si",
"density": 7.342531726818159,
"density_atomic": 0.08373516080300629,
"volume": 2006.3256389419678,
"volume_molar": 7.1918901238723025,
"formula_full": "Nb26 Co80 Si62",
"formula_reduced": "Nb13Co40Si31",
"formula_anonymous": "A13B31C40",
"energy": -1261.85552796,
"energy_per_atom": -7.511044809285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1266.25752796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2415057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.467000Z",
"spacegroup": 191
}
]
}