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{
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"results": [
{
"id": "mp-1337118",
"created_at": "2022-09-04T14:45:03.575663Z",
"structure_string": "Ti2 Zn2 P4 O14\n1.0\n6.519599 0.000000 0.000000\n1.026626 6.526205 0.000000\n2.650959 0.309688 6.205437\nTi Zn P O\n2 2 4 14\ndirect\n0.900006 0.350959 0.220366 Ti\n0.099994 0.649041 0.779634 Ti\n0.705886 0.124014 0.831249 Zn\n0.294114 0.875986 0.168751 Zn\n0.776588 0.860817 0.239912 P\n0.223412 0.139183 0.760088 P\n0.353314 0.387347 0.337376 P\n0.646686 0.612653 0.662624 P\n0.376519 0.217912 0.524463 O\n0.623481 0.782088 0.475537 O\n0.916718 0.021274 0.254910 O\n0.083282 0.978726 0.745090 O\n0.748985 0.406463 0.551373 O\n0.251015 0.593537 0.448627 O\n0.403375 0.611794 0.821880 O\n0.596625 0.388206 0.178120 O\n0.390877 0.050640 0.866194 O\n0.609123 0.949360 0.133806 O\n0.066021 0.330260 0.873735 O\n0.933979 0.669740 0.126265 O\n0.796069 0.693307 0.753396 O\n0.203931 0.306693 0.246604 O\n",
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"elements": [
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"formula_full": "Ti2 Zn2 P4 O14",
"formula_reduced": "TiZnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -163.97029997,
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"spacegroup": 2
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{
"id": "mp-1034272",
"created_at": "2022-09-04T14:45:00.014489Z",
"structure_string": "Mg14 Ti1 Cr1 O16\n1.0\n8.647455 0.000000 0.000000\n0.000000 8.535486 0.000000\n0.000000 0.000000 4.247625\nMg Ti Cr O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.252762 0.500000 Mg\n0.000000 0.747238 0.500000 Mg\n0.500000 0.250556 0.500000 Mg\n0.500000 0.749444 0.500000 Mg\n0.253314 0.000000 0.500000 Mg\n0.253571 0.500000 0.500000 Mg\n0.746686 0.000000 0.500000 Mg\n0.746429 0.500000 0.500000 Mg\n0.252860 0.251519 0.000000 Mg\n0.252860 0.748481 0.000000 Mg\n0.747140 0.251519 -0.000000 Mg\n0.747140 0.748481 -0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Cr\n0.255910 0.000000 -0.000000 O\n0.264983 0.500000 0.000000 O\n0.744090 0.000000 0.000000 O\n0.735017 0.500000 0.000000 O\n0.248596 0.249771 0.500000 O\n0.248596 0.750229 0.500000 O\n0.751404 0.249771 0.500000 O\n0.751404 0.750229 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.250995 0.000000 O\n0.000000 0.749005 0.000000 O\n0.500000 0.247579 -0.000000 O\n0.500000 0.752421 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O-Ti",
"density": 3.686995939150684,
"density_atomic": 0.10206744537616975,
"volume": 313.51818282571827,
"volume_molar": 5.9001582118621565,
"formula_full": "Mg14 Ti1 Cr1 O16",
"formula_reduced": "Mg14TiCrO16",
"formula_anonymous": "ABC14D16",
"energy": -211.99165501,
"energy_per_atom": -6.6247392190625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -199.00065501,
"band_gap": 2.4515,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.728000Z",
"spacegroup": 47
},
{
"id": "mp-510250",
"created_at": "2022-09-04T14:44:57.590632Z",
"structure_string": "Sr1 V13 O18\n1.0\n4.546021 -6.576429 0.000000\n4.546021 6.576429 0.000000\n-4.967666 0.000000 6.264026\nSr V O\n1 13 18\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 V\n0.927913 0.120610 0.436099 V\n0.436099 0.927913 0.120610 V\n0.120610 0.436099 0.927913 V\n0.072087 0.879390 0.563901 V\n0.563901 0.072087 0.879390 V\n0.879390 0.563901 0.072087 V\n0.399458 0.342274 0.767153 V\n0.767153 0.399458 0.342274 V\n0.342274 0.767153 0.399458 V\n0.600542 0.657726 0.232847 V\n0.232847 0.600542 0.657726 V\n0.657726 0.232847 0.600542 V\n0.496620 0.772673 0.668723 O\n0.668723 0.496620 0.772673 O\n0.772673 0.668723 0.496620 O\n0.503380 0.227327 0.331277 O\n0.331277 0.503380 0.227327 O\n0.227327 0.331277 0.503380 O\n0.121715 0.173441 0.739217 O\n0.739217 0.121715 0.173441 O\n0.173441 0.739217 0.121715 O\n0.878285 0.826559 0.260783 O\n0.260783 0.878285 0.826559 O\n0.826559 0.260783 0.878285 O\n0.383143 0.052096 0.597263 O\n0.597263 0.383143 0.052096 O\n0.052096 0.597263 0.383143 O\n0.616857 0.947904 0.402737 O\n0.402737 0.616857 0.947904 O\n0.947904 0.402737 0.616857 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sr",
"V",
"O"
],
"chemical_system": "O-Sr-V",
"density": 4.60127322357733,
"density_atomic": 0.08543677717086107,
"volume": 374.5459632214904,
"volume_molar": 7.048651598779995,
"formula_full": "Sr1 V13 O18",
"formula_reduced": "SrV13O18",
"formula_anonymous": "AB13C18",
"energy": -285.07968409,
"energy_per_atom": -8.9087401278125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -250.61368409,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.148000Z",
"spacegroup": 148
},
{
"id": "mp-779555",
"created_at": "2022-09-04T14:44:57.608785Z",
"structure_string": "Li8 Mn12 B12 O36\n1.0\n3.172051 14.341241 0.000000\n-3.172051 14.341241 0.000000\n0.000000 0.057376 8.301765\nLi Mn B O\n8 12 12 36\ndirect\n0.742949 0.742949 0.286641 Li\n0.928073 0.928073 0.336560 Li\n0.072865 0.072865 0.368146 Li\n0.573138 0.573138 0.369204 Li\n0.493094 0.493094 0.787985 Li\n0.178286 0.178286 0.838869 Li\n0.823234 0.823234 0.870590 Li\n0.322338 0.322338 0.869104 Li\n0.752944 0.244091 0.130156 Mn\n0.244091 0.752944 0.130156 Mn\n0.907699 0.406208 0.169771 Mn\n0.406208 0.907699 0.169771 Mn\n0.587636 0.088552 0.198265 Mn\n0.088552 0.587636 0.198265 Mn\n0.497146 0.000798 0.627514 Mn\n0.000798 0.497146 0.627514 Mn\n0.656674 0.156460 0.667904 Mn\n0.156460 0.656674 0.667904 Mn\n0.839711 0.335340 0.697915 Mn\n0.335340 0.839711 0.697915 Mn\n0.000868 0.497905 0.997780 B\n0.497905 0.000868 0.997780 B\n0.413012 0.413012 0.994994 B\n0.913370 0.913370 0.002624 B\n0.579213 0.579213 0.005666 B\n0.082353 0.082353 0.000020 B\n0.751651 0.246138 0.497105 B\n0.246138 0.751651 0.497105 B\n0.830689 0.830689 0.500378 B\n0.331974 0.331974 0.505094 B\n0.163351 0.163351 0.501784 B\n0.662776 0.662776 0.498530 B\n0.960669 0.960669 0.033718 O\n0.461185 0.461185 0.013286 O\n0.130918 0.130918 0.018275 O\n0.626347 0.626347 0.026786 O\n0.548920 0.548920 0.139604 O\n0.053157 0.053157 0.134158 O\n0.382683 0.382683 0.124712 O\n0.883325 0.883325 0.135875 O\n0.962039 0.492189 0.144452 O\n0.492189 0.962039 0.144452 O\n0.313955 0.313955 0.349816 O\n0.810942 0.810942 0.346554 O\n0.144139 0.144139 0.348873 O\n0.644155 0.644155 0.344059 O\n0.745320 0.201235 0.357635 O\n0.201235 0.745320 0.357635 O\n0.798826 0.296503 0.488068 O\n0.296503 0.798826 0.488068 O\n0.711046 0.711046 0.514847 O\n0.210565 0.210565 0.529125 O\n0.379525 0.379525 0.526801 O\n0.878944 0.878944 0.516098 O\n0.301429 0.301429 0.637057 O\n0.801580 0.801580 0.635493 O\n0.134202 0.134202 0.637747 O\n0.632555 0.632555 0.628889 O\n0.712015 0.241295 0.644235 O\n0.241295 0.712015 0.644235 O\n0.560023 0.560023 0.850353 O\n0.063719 0.063719 0.846161 O\n0.394404 0.394404 0.841206 O\n0.895408 0.895408 0.847862 O\n0.992087 0.455286 0.857942 O\n0.455286 0.992087 0.857942 O\n0.553935 0.041322 0.989674 O\n0.041322 0.553935 0.989674 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1229243358504464,
"density_atomic": 0.0900288258617638,
"volume": 755.3136381497598,
"volume_molar": 6.689125068949353,
"formula_full": "Li8 Mn12 B12 O36",
"formula_reduced": "Li2Mn3(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy": -548.20184812,
"energy_per_atom": -8.061791884117648,
"energy_above_hull": null,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:44.993000Z",
"spacegroup": 8
},
{
"id": "mp-779751",
"created_at": "2022-09-04T14:44:49.910214Z",
"structure_string": "Li4 Ti3 Co3 W2 O16\n1.0\n5.976111 -0.007169 -0.043362\n-2.994223 5.189506 0.000611\n-0.069418 -0.038795 9.827261\nLi Ti Co W O\n4 3 3 2 16\ndirect\n0.328645 0.664169 0.904891 Li\n0.988135 0.994011 0.983356 Li\n0.008343 0.004733 0.491603 Li\n0.667970 0.333477 0.407285 Li\n0.180644 0.840301 0.215642 Ti\n0.182903 0.341247 0.216282 Ti\n0.359366 0.178676 0.732566 Ti\n0.642619 0.820883 0.210938 Co\n0.832980 0.655754 0.711621 Co\n0.833632 0.178144 0.711603 Co\n0.340608 0.670651 0.490333 W\n0.689876 0.344444 0.989582 W\n0.182209 0.828346 0.586215 O\n0.043706 0.521947 0.340047 O\n0.295120 0.647383 0.105751 O\n0.007177 0.004073 0.302396 O\n0.014234 0.007155 0.793351 O\n0.181875 0.354499 0.586038 O\n0.466869 0.959614 0.350017 O\n0.467548 0.507366 0.350148 O\n0.339974 0.170191 0.106742 O\n0.661824 0.830841 0.579546 O\n0.503008 0.467045 0.852461 O\n0.503631 0.034602 0.851673 O\n0.637920 0.319205 0.608266 O\n0.836821 0.668783 0.089738 O\n0.966632 0.483830 0.850442 O\n0.835731 0.168928 0.089309 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Co",
"W",
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],
"chemical_system": "Co-Li-O-Ti-W",
"density": 5.299006078074124,
"density_atomic": 0.09194133858393692,
"volume": 304.5420094078539,
"volume_molar": 6.549981599954788,
"formula_full": "Li4 Ti3 Co3 W2 O16",
"formula_reduced": "Li4Ti3Co3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -225.54675113,
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"updated_at": "2021-11-28T01:36:45.574000Z",
"spacegroup": 8
},
{
"id": "mp-1176713",
"created_at": "2022-09-04T14:45:03.621696Z",
"structure_string": "Li8 Mn8 P16 O56\n1.0\n9.736869 0.000000 0.000000\n0.140328 9.903765 0.000000\n0.057666 2.107321 10.948088\nLi Mn P O\n8 8 16 56\ndirect\n0.113923 0.919230 0.021610 Li\n0.584382 0.589417 0.979719 Li\n0.966745 0.602611 0.499733 Li\n0.787497 0.375731 0.452872 Li\n0.150662 0.354890 0.035235 Li\n0.890960 0.094460 0.978555 Li\n0.562642 0.086846 0.510626 Li\n0.272558 0.104368 0.550948 Li\n0.929013 0.797593 0.670378 Mn\n0.227281 0.724453 0.839131 Mn\n0.716799 0.789575 0.159062 Mn\n0.417617 0.684623 0.343692 Mn\n0.570485 0.302079 0.669405 Mn\n0.286754 0.243270 0.825582 Mn\n0.774069 0.292782 0.157324 Mn\n0.077110 0.186456 0.339008 Mn\n0.443133 0.981712 0.756395 P\n0.713350 0.878120 0.877946 P\n0.934467 0.939088 0.243961 P\n0.148283 0.859892 0.435625 P\n0.645657 0.621942 0.565576 P\n0.420547 0.573854 0.751149 P\n0.050523 0.478514 0.750488 P\n0.209775 0.625256 0.122961 P\n0.778535 0.384444 0.874178 P\n0.932489 0.539097 0.234527 P\n0.567026 0.436778 0.244335 P\n0.353042 0.360943 0.430608 P\n0.860375 0.119238 0.572176 P\n0.073680 0.063864 0.762064 P\n0.289618 0.120541 0.120158 P\n0.567737 0.041054 0.234808 P\n0.423722 0.992878 0.621039 O\n0.854356 0.967653 0.565651 O\n0.083524 0.915598 0.739948 O\n0.341105 0.898056 0.842227 O\n0.590885 0.910365 0.779596 O\n0.817932 0.797869 0.812328 O\n0.654440 0.777568 0.991248 O\n0.256110 0.979969 0.103608 O\n0.068495 0.864181 0.307726 O\n0.943970 0.940099 0.108354 O\n0.560152 0.899564 0.191644 O\n0.286907 0.795912 0.417264 O\n0.811399 0.848260 0.294685 O\n0.057268 0.772371 0.533873 O\n0.562630 0.706190 0.461132 O\n0.300498 0.668491 0.692121 O\n0.788344 0.674964 0.582320 O\n0.043693 0.624835 0.787777 O\n0.560706 0.631850 0.689772 O\n0.415860 0.597446 0.882860 O\n0.726541 0.517553 0.898186 O\n0.164188 0.731764 0.006453 O\n0.317514 0.690289 0.193201 O\n0.078968 0.609876 0.215371 O\n0.566385 0.584400 0.270915 O\n0.832297 0.632349 0.149179 O\n0.074136 0.478310 0.619029 O\n0.332207 0.507254 0.444909 O\n0.653515 0.466124 0.560167 O\n0.902979 0.523323 0.369171 O\n0.149180 0.387646 0.844541 O\n0.412743 0.422033 0.736802 O\n0.903519 0.407733 0.779359 O\n0.678780 0.297909 0.812236 O\n0.840367 0.287177 0.990453 O\n0.243154 0.488826 0.092593 O\n0.580428 0.429532 0.110837 O\n0.431956 0.361729 0.301795 O\n0.941471 0.397078 0.190885 O\n0.223314 0.277786 0.420534 O\n0.689757 0.345375 0.306061 O\n0.444670 0.272677 0.531657 O\n0.938751 0.211185 0.466658 O\n0.192298 0.156682 0.699920 O\n0.717823 0.184990 0.579652 O\n0.452403 0.133318 0.788963 O\n0.066342 0.079546 0.894133 O\n0.936376 0.133318 0.696723 O\n0.758439 0.010078 0.907759 O\n0.317818 0.228286 0.001866 O\n0.176506 0.195989 0.185982 O\n0.419931 0.115455 0.206422 O\n0.670274 0.130566 0.148227 O\n0.929283 0.086518 0.273922 O\n0.159518 0.008544 0.452278 O\n0.589918 0.033170 0.367167 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9673320607324465,
"density_atomic": 0.08335367241317021,
"volume": 1055.7423260705145,
"volume_molar": 7.224805561234609,
"formula_full": "Li8 Mn8 P16 O56",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -673.49253194,
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"spacegroup": 1
},
{
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