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{
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"results": [
{
"id": "mp-767632",
"created_at": "2022-09-04T14:45:58.120298Z",
"structure_string": "V4 P4 O16\n1.0\n0.000009 0.000600 4.783930\n8.793550 0.000114 0.000017\n0.000087 6.588518 0.000831\nV P O\n4 4 16\ndirect\n0.999936 0.000034 0.500026 V\n0.500073 0.500061 0.000012 V\n0.000114 0.000010 0.999977 V\n0.500004 0.499905 0.500057 V\n0.475865 0.176007 0.249890 P\n0.975881 0.323999 0.749897 P\n0.024126 0.676003 0.250122 P\n0.524115 0.823999 0.750112 P\n0.784847 0.116501 0.249802 O\n0.284871 0.383489 0.749780 O\n0.715129 0.616498 0.250216 O\n0.215121 0.883503 0.750198 O\n0.950036 0.145127 0.749933 O\n0.450057 0.354880 0.249896 O\n0.549912 0.645119 0.750095 O\n0.049921 0.854886 0.250086 O\n0.331730 0.121539 0.055243 O\n0.331773 0.121497 0.444594 O\n0.831718 0.378444 0.555247 O\n0.831817 0.378520 0.944591 O\n0.168143 0.621481 0.055397 O\n0.168335 0.621502 0.444731 O\n0.668149 0.878502 0.555384 O\n0.668328 0.878495 0.944714 O\n",
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"formula_full": "V4 P4 O16",
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"spacegroup": 62
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{
"id": "mp-1276200",
"created_at": "2022-09-04T14:45:43.069755Z",
"structure_string": "Li6 Mn2 O2 F8\n1.0\n-1.879568 4.914342 0.311208\n1.880230 -0.305370 -5.176094\n-7.519606 -0.000007 0.000003\nLi Mn O F\n6 2 2 8\ndirect\n0.637519 0.720480 0.770723 Li\n0.637642 0.720749 0.270829 Li\n0.740721 0.335186 0.398643 Li\n0.740563 0.335277 0.898636 Li\n0.215933 0.589510 0.593365 Li\n0.215717 0.589579 0.093436 Li\n0.014546 0.015182 0.000185 Mn\n0.014882 0.015196 0.500013 Mn\n0.960642 0.009419 0.762165 O\n0.961005 0.009559 0.262101 O\n0.836856 0.392535 0.638947 F\n0.836720 0.392414 0.139030 F\n0.353842 0.254066 0.475312 F\n0.353590 0.254063 0.975136 F\n0.667311 0.747518 0.520130 F\n0.667341 0.747413 0.019846 F\n0.238822 0.691924 0.363293 F\n0.238697 0.691939 0.863267 F\n",
"nsites": 18,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
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"density_atomic": 0.09445726667468625,
"volume": 190.56236363468528,
"volume_molar": 6.375518763146555,
"formula_full": "Li6 Mn2 O2 F8",
"formula_reduced": "Li3MnOF4",
"formula_anonymous": "ABC3D4",
"energy": -105.98029134,
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"updated_at": "2021-11-28T01:37:12.394000Z",
"spacegroup": 8
},
{
"id": "mp-1233007",
"created_at": "2022-09-04T14:45:56.790569Z",
"structure_string": "Ba1 Li1 Al3 P2 H2 O14\n1.0\n5.312818 3.227889 -3.705869\n-5.313029 3.228272 3.705242\n0.340701 0.000002 7.937749\nBa Li Al P H O\n1 1 3 2 2 14\ndirect\n0.958856 0.040801 0.985678 Ba\n0.276080 0.723322 0.207517 Li\n0.995134 0.004459 0.491668 Al\n0.495684 0.012796 0.485469 Al\n0.986766 0.503899 0.485489 Al\n0.267460 0.732282 0.836143 P\n0.719556 0.279989 0.129223 P\n0.401243 0.598271 0.597350 H\n0.665525 0.334044 0.623131 H\n0.344250 0.655625 0.060701 O\n0.652825 0.346705 0.906473 O\n0.127249 0.872460 0.749824 O\n0.862987 0.136641 0.228891 O\n0.103508 0.505370 0.754358 O\n0.494323 0.896191 0.754328 O\n0.490729 0.109794 0.214956 O\n0.889732 0.508815 0.214970 O\n0.318263 0.681277 0.478681 O\n0.673847 0.325726 0.507380 O\n0.781542 0.981333 0.584701 O\n0.018264 0.218063 0.584727 O\n0.968382 0.793760 0.389890 O\n0.205779 0.031127 0.389881 O\n",
"nsites": 23,
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"elements": [
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"Li",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-Ba-H-Li-O-P",
"density": 3.0387345846770235,
"density_atomic": 0.08201858303865855,
"volume": 280.4242544541303,
"volume_molar": 7.342410142786215,
"formula_full": "Ba1 Li1 Al3 P2 H2 O14",
"formula_reduced": "BaLiAl3P2(HO7)2",
"formula_anonymous": "ABC2D2E3F14",
"energy": -161.59896174,
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"updated_at": "2021-11-28T01:37:08.471000Z",
"spacegroup": 8
},
{
"id": "mp-555568",
"created_at": "2022-09-04T14:45:53.778817Z",
"structure_string": "K8 Zn4 Si16 O40\n1.0\n7.173692 0.000000 0.000000\n0.000000 10.205822 0.000000\n0.000000 0.000000 14.256418\nK Zn Si O\n8 4 16 40\ndirect\n0.231326 0.401135 0.119285 K\n0.731326 0.098865 0.880715 K\n0.268674 0.598865 0.619285 K\n0.768674 0.901135 0.380715 K\n0.988777 0.675232 0.900612 K\n0.488777 0.824768 0.099388 K\n0.011223 0.175232 0.599388 K\n0.511223 0.324768 0.400612 K\n0.481650 0.806403 0.853468 Zn\n0.018350 0.193597 0.353468 Zn\n0.518350 0.306403 0.646532 Zn\n0.981650 0.693597 0.146532 Zn\n0.266173 0.940044 0.400871 Si\n0.766173 0.559956 0.599129 Si\n0.236315 0.344788 0.820800 Si\n0.531457 0.518285 0.921064 Si\n0.173683 0.902987 0.726842 Si\n0.468543 0.018285 0.578936 Si\n0.826317 0.402987 0.773158 Si\n0.673683 0.597013 0.273158 Si\n0.263685 0.655212 0.320800 Si\n0.031457 0.981715 0.078936 Si\n0.736315 0.155212 0.179200 Si\n0.326317 0.097013 0.226842 Si\n0.763685 0.844788 0.679200 Si\n0.968543 0.481715 0.421064 Si\n0.233827 0.059956 0.900871 Si\n0.733827 0.440044 0.099129 Si\n0.920544 0.574154 0.513386 O\n0.806889 0.508027 0.341772 O\n0.107384 0.004890 0.811043 O\n0.509679 0.134866 0.163157 O\n0.716121 0.847416 0.789050 O\n0.022316 0.829386 0.051865 O\n0.283879 0.347416 0.710950 O\n0.229447 0.227551 0.266825 O\n0.198135 0.790161 0.375289 O\n0.892616 0.504890 0.688957 O\n0.671222 0.966431 0.618307 O\n0.079456 0.074154 0.986614 O\n0.490321 0.634866 0.336843 O\n0.828778 0.033569 0.118307 O\n0.590520 0.468537 0.574800 O\n0.977684 0.329386 0.448135 O\n0.392616 0.995110 0.311043 O\n0.801865 0.290161 0.124711 O\n0.270553 0.772449 0.766825 O\n0.698135 0.709839 0.624711 O\n0.909480 0.531463 0.074800 O\n0.607384 0.495110 0.188957 O\n0.009679 0.365134 0.836843 O\n0.693111 0.491973 0.841772 O\n0.216121 0.652584 0.210950 O\n0.193111 0.008027 0.158228 O\n0.579456 0.425846 0.013386 O\n0.409480 0.968537 0.925200 O\n0.306889 0.991973 0.658228 O\n0.477684 0.170614 0.551865 O\n0.090520 0.031463 0.425200 O\n0.301865 0.209839 0.875289 O\n0.522316 0.670614 0.948135 O\n0.990321 0.865134 0.663157 O\n0.171222 0.533569 0.381693 O\n0.770553 0.727551 0.233175 O\n0.783879 0.152584 0.289050 O\n0.729447 0.272449 0.733175 O\n0.328778 0.466431 0.881693 O\n0.420544 0.925846 0.486614 O\n",
"nsites": 68,
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"elements": [
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"Zn",
"Si",
"O"
],
"chemical_system": "K-O-Si-Zn",
"density": 2.6469169220416005,
"density_atomic": 0.06514900335315665,
"volume": 1043.7611705491302,
"volume_molar": 9.24364218951357,
"formula_full": "K8 Zn4 Si16 O40",
"formula_reduced": "K2Zn(Si2O5)2",
"formula_anonymous": "AB2C4D10",
"energy": -499.14853553,
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"updated_at": "2021-11-28T01:37:14.798000Z",
"spacegroup": 19
},
{
"id": "mp-603935",
"created_at": "2022-09-04T14:45:56.407129Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n8.340323 0.000000 0.000000\n0.000000 7.070519 0.000000\n0.000000 0.270797 7.337755\nSr Cr O\n4 4 16\ndirect\n0.953871 0.242454 0.169646 Sr\n0.453871 0.257546 0.830354 Sr\n0.046129 0.757546 0.830354 Sr\n0.546129 0.742454 0.169646 Sr\n0.498839 0.715799 0.722197 Cr\n0.501161 0.284201 0.277803 Cr\n0.001161 0.215799 0.722197 Cr\n0.998839 0.784201 0.277803 Cr\n0.474954 0.082864 0.170620 O\n0.525046 0.917136 0.829380 O\n0.134938 0.935582 0.194364 O\n0.822247 0.878291 0.209761 O\n0.974954 0.417136 0.829380 O\n0.492943 0.258812 0.500532 O\n0.865062 0.064418 0.805636 O\n0.322247 0.621709 0.790239 O\n0.025046 0.582864 0.170620 O\n0.507057 0.741188 0.499468 O\n0.007057 0.758812 0.500532 O\n0.634938 0.564418 0.805636 O\n0.365062 0.435582 0.194364 O\n0.677753 0.378291 0.209761 O\n0.177753 0.121709 0.790239 O\n0.992943 0.241188 0.499468 O\n",
"nsites": 24,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Sr",
"density": 3.12549431896953,
"density_atomic": 0.05546434274290792,
"volume": 432.71043724878206,
"volume_molar": 10.857679839305469,
"formula_full": "Sr4 Cr4 O16",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:12.615000Z",
"spacegroup": 14
},
{
"id": "mp-850985",
"created_at": "2022-09-04T14:45:53.363774Z",
"structure_string": "Li4 Fe4 P8 H4 O28\n1.0\n6.571730 0.000000 0.000000\n-1.818714 -8.554242 0.000000\n-3.195601 0.605583 -9.400026\nLi Fe P H O\n4 4 8 4 28\ndirect\n0.281500 0.031234 0.373086 Li\n0.718500 0.968766 0.626914 Li\n0.323065 0.508898 0.878464 Li\n0.676935 0.491102 0.121536 Li\n0.164598 0.414380 0.310539 Fe\n0.391758 0.972797 0.774476 Fe\n0.835402 0.585620 0.689461 Fe\n0.608242 0.027203 0.225524 Fe\n0.211283 0.246140 0.638816 P\n0.788717 0.753860 0.361184 P\n0.232632 0.706169 0.554559 P\n0.259383 0.231794 0.073473 P\n0.767368 0.293831 0.445441 P\n0.740617 0.768206 0.926527 P\n0.173152 0.742341 0.127452 P\n0.826848 0.257659 0.872548 P\n0.556191 0.692152 0.485902 H\n0.600128 0.214544 0.003713 H\n0.443809 0.307848 0.514098 H\n0.399872 0.785456 0.996287 H\n0.286793 0.240276 0.499823 O\n0.629332 0.124137 0.424984 O\n0.855748 0.922460 0.320495 O\n0.629228 0.637609 0.249867 O\n0.144252 0.077540 0.679505 O\n0.664908 0.135784 0.758143 O\n0.370668 0.875863 0.575016 O\n0.713207 0.759724 0.500177 O\n0.012516 0.694754 0.421288 O\n0.837787 0.335004 0.314180 O\n0.342934 0.591534 0.500730 O\n0.029424 0.172908 0.943843 O\n0.791116 0.782177 0.784866 O\n0.403229 0.114344 0.059402 O\n0.657066 0.408466 0.499270 O\n0.162213 0.664996 0.685820 O\n0.987484 0.305246 0.578712 O\n0.596771 0.885656 0.940598 O\n0.208884 0.217823 0.215134 O\n0.970576 0.827092 0.056157 O\n0.260061 0.714620 0.000934 O\n0.639474 0.604862 0.950350 O\n0.370772 0.362391 0.750133 O\n0.913484 0.413876 0.822563 O\n0.335092 0.864216 0.241857 O\n0.086516 0.586124 0.177437 O\n0.360526 0.395138 0.049650 O\n0.739939 0.285380 0.999066 O\n",
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"elements": [
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],
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"volume": 528.4334481397923,
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"formula_full": "Li4 Fe4 P8 H4 O28",
"formula_reduced": "LiFeP2HO7",
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"energy": -348.44386189,
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"spacegroup": 2
},
{
"id": "mp-1211711",
"created_at": "2022-09-04T14:45:56.170212Z",
"structure_string": "K4 Na8 Ga12 Si12 O48\n1.0\n8.411386 0.000000 0.000000\n0.000000 8.862125 0.000000\n0.000000 8.807924 15.563107\nK Na Ga Si O\n4 8 12 12 48\ndirect\n0.998062 0.499345 0.750848 K\n0.001938 0.500655 0.249152 K\n0.498062 0.500655 0.749152 K\n0.501938 0.499345 0.250848 K\n0.029436 0.788992 0.935961 Na\n0.970564 0.211008 0.064039 Na\n0.529436 0.211008 0.564039 Na\n0.470564 0.788992 0.435961 Na\n0.467918 0.859079 0.909498 Na\n0.532082 0.140921 0.090502 Na\n0.967918 0.140921 0.590502 Na\n0.032082 0.859079 0.409498 Na\n0.284320 0.848114 0.592537 Ga\n0.715680 0.151886 0.407463 Ga\n0.784320 0.151886 0.907463 Ga\n0.215680 0.848114 0.092537 Ga\n0.785345 0.814700 0.765199 Ga\n0.214655 0.185300 0.234801 Ga\n0.285345 0.185300 0.734801 Ga\n0.714655 0.814700 0.265199 Ga\n0.286872 0.470095 0.922056 Ga\n0.713128 0.529905 0.077944 Ga\n0.786872 0.529905 0.577944 Ga\n0.213128 0.470095 0.422056 Ga\n0.170759 0.527300 0.576920 Si\n0.829241 0.472700 0.423080 Si\n0.670759 0.472700 0.923080 Si\n0.329241 0.527300 0.076920 Si\n0.169582 0.816432 0.765481 Si\n0.830418 0.183568 0.234519 Si\n0.669582 0.183568 0.734519 Si\n0.330418 0.816432 0.265481 Si\n0.669896 0.850422 0.589856 Si\n0.330104 0.149578 0.410144 Si\n0.169896 0.149578 0.910144 Si\n0.830104 0.850422 0.089856 Si\n0.765796 0.749443 0.681462 O\n0.234204 0.250557 0.318538 O\n0.265796 0.250557 0.818538 O\n0.734204 0.749443 0.181462 O\n0.992199 0.614848 0.552520 O\n0.007801 0.385152 0.447480 O\n0.492199 0.385152 0.947480 O\n0.507801 0.614848 0.052520 O\n0.155215 0.280614 0.950983 O\n0.844785 0.719386 0.049017 O\n0.655215 0.719386 0.549017 O\n0.344785 0.280614 0.450983 O\n0.990744 0.767616 0.808744 O\n0.009256 0.232384 0.191256 O\n0.490744 0.232384 0.691256 O\n0.509256 0.767616 0.308744 O\n0.253900 0.948728 0.792915 O\n0.746100 0.051272 0.207085 O\n0.753900 0.051272 0.707085 O\n0.246100 0.948728 0.292915 O\n0.490859 0.901658 0.607776 O\n0.509141 0.098342 0.392224 O\n0.990859 0.098342 0.892224 O\n0.009141 0.901658 0.107776 O\n0.155822 0.315631 0.641126 O\n0.844178 0.684369 0.358874 O\n0.655822 0.684369 0.858874 O\n0.344178 0.315631 0.141126 O\n0.267314 0.614295 0.626256 O\n0.732686 0.385705 0.373744 O\n0.767314 0.385705 0.873744 O\n0.232686 0.614295 0.126256 O\n0.263910 0.967899 0.976073 O\n0.736090 0.032101 0.023927 O\n0.763910 0.032101 0.523927 O\n0.236090 0.967899 0.476073 O\n0.154868 0.902224 0.660155 O\n0.845132 0.097776 0.339845 O\n0.654868 0.097776 0.839845 O\n0.345132 0.902224 0.160155 O\n0.235551 0.574587 0.986886 O\n0.764449 0.425413 0.013114 O\n0.735551 0.425413 0.513114 O\n0.264449 0.574587 0.486886 O\n0.270696 0.633662 0.806517 O\n0.729304 0.366338 0.193483 O\n0.770696 0.366338 0.693483 O\n0.229304 0.633662 0.306517 O\n",
"nsites": 84,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-K-Na-O-Si",
"density": 3.2663300014301915,
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"volume": 1160.1168589928504,
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