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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10374",
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"results": [
{
"id": "mp-1283659",
"created_at": "2022-09-04T14:40:11.150658Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.218256 0.010213 -1.642332\n-0.539255 5.338071 -1.747954\n-0.045580 -0.082962 8.967846\nSr Mn Ga O\n4 2 2 10\ndirect\n0.109736 0.596048 0.222363 Sr\n0.611193 0.130333 0.222932 Sr\n0.887129 0.403642 0.777577 Sr\n0.388236 0.869567 0.777080 Sr\n0.994936 0.999734 0.999865 Mn\n0.494831 0.500009 0.999919 Mn\n0.285837 0.181627 0.503706 Ga\n0.782510 0.818270 0.496371 Ga\n0.628052 0.121432 0.499438 O\n0.128707 0.878997 0.500711 O\n0.337262 0.402127 0.718757 O\n0.619300 0.597973 0.281344 O\n0.821599 0.795243 0.703153 O\n0.119580 0.205040 0.296893 O\n0.254544 0.756390 0.012939 O\n0.237336 0.238155 0.984365 O\n0.737695 0.247976 0.986609 O\n0.755517 0.757438 0.015978 O\n",
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"elements": [
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"chemical_system": "Ga-Mn-O-Sr",
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"volume": 248.6235416694814,
"volume_molar": 8.318033134351902,
"formula_full": "Sr4 Mn2 Ga2 O10",
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"updated_at": "2021-11-28T01:34:56.608000Z",
"spacegroup": 5
},
{
"id": "mp-1223571",
"created_at": "2022-09-04T14:40:11.343996Z",
"structure_string": "La4 Gd1 Sc15 B20 O60\n1.0\n4.952620 6.071792 0.000000\n-4.952620 6.071792 0.000000\n0.000000 0.991736 18.919006\nLa Gd Sc B O\n4 1 15 20 60\ndirect\n0.399874 0.399881 0.699710 La\n0.800034 0.800007 0.899974 La\n0.199993 0.199966 0.100026 La\n0.600119 0.600126 0.300290 La\n0.999984 0.000016 0.500000 Gd\n0.709604 0.161564 0.080785 Sc\n0.109569 0.561672 0.280837 Sc\n0.509558 0.961822 0.480919 Sc\n0.909675 0.361366 0.680702 Sc\n0.309612 0.761528 0.880779 Sc\n0.238472 0.690388 0.119221 Sc\n0.638634 0.090325 0.319298 Sc\n0.038178 0.490442 0.519081 Sc\n0.438328 0.890431 0.719163 Sc\n0.838436 0.290396 0.919215 Sc\n0.251954 0.348056 0.899994 Sc\n0.651944 0.748046 0.100006 Sc\n0.051869 0.147614 0.300538 Sc\n0.451900 0.548100 0.500000 Sc\n0.852386 0.948131 0.699462 Sc\n0.500011 0.499989 0.000000 B\n0.900051 0.899980 0.200001 B\n0.299790 0.299805 0.400075 B\n0.700195 0.700210 0.599925 B\n0.100020 0.099949 0.799999 B\n0.850781 0.751906 0.400462 B\n0.248094 0.149219 0.599538 B\n0.650009 0.549966 0.799980 B\n0.050041 0.949959 0.000000 B\n0.450034 0.349991 0.200020 B\n0.389967 0.940008 0.220039 B\n0.790841 0.337669 0.420449 B\n0.189345 0.741398 0.619123 B\n0.590051 0.139995 0.819958 B\n0.989992 0.540014 0.020021 B\n0.662331 0.209159 0.579551 B\n0.059992 0.610032 0.779961 B\n0.459986 0.010008 0.979979 B\n0.860005 0.409949 0.180042 B\n0.258602 0.810655 0.380877 B\n0.640330 0.359670 0.000000 O\n0.040272 0.759580 0.200019 O\n0.440327 0.159713 0.400161 O\n0.840287 0.559673 0.599839 O\n0.240420 0.959728 0.799981 O\n0.471954 0.612208 0.056131 O\n0.872225 0.012110 0.256175 O\n0.271668 0.412415 0.456073 O\n0.671994 0.812105 0.656144 O\n0.071936 0.212181 0.856120 O\n0.387792 0.528046 0.943869 O\n0.787819 0.928064 0.143880 O\n0.187895 0.328006 0.343856 O\n0.587585 0.728332 0.543927 O\n0.987890 0.127775 0.743825 O\n0.909813 0.090187 0.000000 O\n0.309778 0.490239 0.200033 O\n0.708576 0.890098 0.399800 O\n0.109902 0.291424 0.600200 O\n0.509761 0.690222 0.799967 O\n0.417995 0.827893 0.163915 O\n0.817575 0.228287 0.363473 O\n0.218649 0.626327 0.564021 O\n0.618195 0.027837 0.763825 O\n0.018044 0.427828 0.963928 O\n0.172107 0.582005 0.836085 O\n0.572172 0.981956 0.036072 O\n0.972163 0.381805 0.236175 O\n0.373673 0.781351 0.435979 O\n0.771713 0.182425 0.636527 O\n0.082875 0.850444 0.940534 O\n0.482822 0.250471 0.140534 O\n0.883732 0.650452 0.341414 O\n0.276529 0.049483 0.539686 O\n0.682752 0.450511 0.740516 O\n0.712795 0.117268 0.871702 O\n0.112822 0.517280 0.071712 O\n0.512861 0.917249 0.271687 O\n0.914686 0.310193 0.472258 O\n0.310710 0.718584 0.671533 O\n0.731389 0.559314 0.178797 O\n0.128520 0.959861 0.381622 O\n0.532048 0.357348 0.578218 O\n0.931460 0.759485 0.778584 O\n0.331347 0.159292 0.978742 O\n0.440686 0.268611 0.821203 O\n0.840708 0.668653 0.021258 O\n0.240515 0.068540 0.221416 O\n0.642652 0.467952 0.421782 O\n0.040139 0.871480 0.618378 O\n0.149556 0.917125 0.059466 O\n0.549489 0.317248 0.259484 O\n0.950517 0.723471 0.460314 O\n0.349548 0.116268 0.658586 O\n0.749529 0.517178 0.859466 O\n0.882732 0.287205 0.128298 O\n0.281416 0.689290 0.328467 O\n0.689807 0.085314 0.527742 O\n0.082751 0.487139 0.728313 O\n0.482720 0.887178 0.928288 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
"La",
"Gd",
"Sc",
"B",
"O"
],
"chemical_system": "B-Gd-La-O-Sc",
"density": 3.7409710938432665,
"density_atomic": 0.08788601983301683,
"volume": 1137.8373965506653,
"volume_molar": 6.852216964020044,
"formula_full": "La4 Gd1 Sc15 B20 O60",
"formula_reduced": "La4GdSc15(BO3)20",
"formula_anonymous": "AB4C15D20E60",
"energy": -906.06511662,
"energy_per_atom": -9.0606511662,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -864.8451166199999,
"band_gap": 2.1905,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0335179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.962000Z",
"spacegroup": 5
},
{
"id": "mp-1221210",
"created_at": "2022-09-04T14:40:11.416179Z",
"structure_string": "Na4 Al3 Si3 Cl1 O12\n1.0\n4.494467 6.360584 0.000000\n-4.494467 6.360584 0.000000\n0.000000 6.321097 6.355155\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.645177 0.003036 0.358340 Na\n0.361367 0.002244 0.991331 Na\n0.997756 0.638633 0.008669 Na\n0.996964 0.354823 0.641660 Na\n0.748096 0.251904 0.500000 Al\n0.250727 0.252178 0.252963 Al\n0.747822 0.749273 0.747037 Al\n0.496244 0.494413 0.753329 Si\n0.253592 0.746408 0.500000 Si\n0.505587 0.503756 0.246671 Si\n0.999202 0.000798 0.000000 Cl\n0.699475 0.000994 0.583841 O\n0.423860 0.303917 0.290714 O\n0.414993 0.695512 0.586315 O\n0.298841 0.986715 0.304591 O\n0.578411 0.702147 0.008826 O\n0.567256 0.296085 0.715382 O\n0.013285 0.701159 0.695409 O\n0.297853 0.421589 0.991174 O\n0.703915 0.432744 0.284618 O\n0.999006 0.300525 0.416159 O\n0.696083 0.576140 0.709286 O\n0.304488 0.585007 0.413685 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 2.214657373159833,
"density_atomic": 0.06329894979084047,
"volume": 363.3551595405484,
"volume_molar": 9.513808333154085,
"formula_full": "Na4 Al3 Si3 Cl1 O12",
"formula_reduced": "Na4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy": -164.41479217,
"energy_per_atom": -7.148469224782609,
"energy_above_hull": null,
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"band_gap": 4.338900000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.307000Z",
"spacegroup": 5
},
{
"id": "mp-754580",
"created_at": "2022-09-04T14:40:11.332059Z",
"structure_string": "Li5 Mn1 O5\n1.0\n2.062702 4.625532 0.000000\n-2.062702 4.625532 0.000000\n0.000000 1.734506 5.386204\nLi Mn O\n5 1 5\ndirect\n0.679097 0.695037 0.139848 Li\n0.689613 0.712893 0.663850 Li\n0.287107 0.310387 0.336150 Li\n0.304963 0.320903 0.860152 Li\n0.007338 0.992662 0.500000 Li\n0.933610 0.066390 0.000000 Mn\n0.152291 0.126278 0.161159 O\n0.516482 0.483518 0.000000 O\n0.140514 0.172038 0.686172 O\n0.827962 0.859486 0.313828 O\n0.873722 0.847709 0.838841 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.7407315752639465,
"density_atomic": 0.10702413142517028,
"volume": 102.78055849199804,
"volume_molar": 5.626899914820232,
"formula_full": "Li5 Mn1 O5",
"formula_reduced": "Li5MnO5",
"formula_anonymous": "AB5C5",
"energy": -64.97152815999999,
"energy_per_atom": -5.906502559999999,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:56.032000Z",
"spacegroup": 5
},
{
"id": "mp-1175667",
"created_at": "2022-09-04T14:40:11.617160Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.740461 5.210635 0.000000\n-5.740461 5.210635 0.000000\n0.000000 1.976782 4.820291\nLi Mn Co O\n9 2 5 16\ndirect\n0.378692 0.125059 0.003700 Li\n0.874941 0.621308 0.996300 Li\n0.493789 0.994008 0.505634 Li\n0.005992 0.506211 0.494366 Li\n0.619301 0.873099 0.004155 Li\n0.126901 0.380699 0.995845 Li\n0.750255 0.747952 0.502315 Li\n0.252048 0.249745 0.497685 Li\n0.249781 0.750219 0.000000 Li\n0.002255 0.997745 0.000000 Mn\n0.124648 0.875352 0.500000 Mn\n0.495434 0.504566 0.000000 Co\n0.625666 0.374334 0.500000 Co\n0.751877 0.248123 0.000000 Co\n0.374466 0.625534 0.500000 Co\n0.874904 0.125096 0.500000 Co\n0.228810 0.988660 0.737387 O\n0.732365 0.490680 0.778304 O\n0.363187 0.871338 0.277895 O\n0.861250 0.360406 0.271391 O\n0.497551 0.726053 0.761940 O\n0.991423 0.243058 0.767997 O\n0.618143 0.608276 0.266298 O\n0.112595 0.117804 0.274707 O\n0.509320 0.267635 0.221696 O\n0.011340 0.771190 0.262613 O\n0.639594 0.138750 0.728609 O\n0.128662 0.636813 0.722105 O\n0.756942 0.008577 0.232003 O\n0.273947 0.502449 0.238060 O\n0.882196 0.887405 0.725293 O\n0.391724 0.381857 0.733702 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.163394831461275,
"density_atomic": 0.11097094957363413,
"volume": 288.363757568521,
"volume_molar": 5.426772306750465,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.34480135,
"energy_per_atom": -6.5107750421875,
"energy_above_hull": null,
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"energy_uncorrected": -185.82680135,
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"updated_at": "2021-11-28T01:34:56.214000Z",
"spacegroup": 5
},
{
"id": "mp-1235187",
"created_at": "2022-09-04T14:40:11.616335Z",
"structure_string": "Li1 Er2 Tl2 W4 O16\n1.0\n4.315375 5.363673 -3.585268\n4.315375 -5.363673 -3.585268\n0.194659 0.000000 -7.546920\nLi Er Tl W O\n1 2 2 4 16\ndirect\n0.507242 0.492758 0.750000 Li\n0.221754 0.778246 0.750000 Er\n0.774537 0.225463 0.250000 Er\n0.791897 0.208103 0.750000 Tl\n0.206873 0.793127 0.250000 Tl\n0.287369 0.302173 0.704618 W\n0.706915 0.697084 0.286692 W\n0.697827 0.712631 0.795382 W\n0.302916 0.293085 0.213308 W\n0.362568 0.236677 0.953396 O\n0.629634 0.759196 0.057197 O\n0.763323 0.637432 0.546604 O\n0.240805 0.370366 0.442803 O\n0.646413 0.949905 0.617789 O\n0.355039 0.054100 0.382746 O\n0.050095 0.353587 0.882211 O\n0.945900 0.644961 0.117254 O\n0.408406 0.622667 0.546162 O\n0.591533 0.378787 0.461617 O\n0.377333 0.591594 0.953838 O\n0.621213 0.408467 0.038383 O\n0.236101 0.031946 0.804567 O\n0.762385 0.964466 0.193840 O\n0.968054 0.763899 0.695433 O\n0.035534 0.237615 0.306159 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Li",
"Er",
"Tl",
"W",
"O"
],
"chemical_system": "Er-Li-O-Tl-W",
"density": 8.458994466468367,
"density_atomic": 0.07312522591999691,
"volume": 341.87928564284226,
"volume_molar": 8.235380724277771,
"formula_full": "Li1 Er2 Tl2 W4 O16",
"formula_reduced": "LiEr2Tl2(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -207.34439248000004,
"energy_per_atom": -8.293775699200001,
"energy_above_hull": null,
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"is_magnetic": true,
"total_magnetization": 1.0001053,
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"updated_at": "2021-11-28T01:34:53.460000Z",
"spacegroup": 5
},
{
"id": "mp-760216",
"created_at": "2022-09-04T14:40:11.775519Z",
"structure_string": "Li11 Ti4 Mn12 O32\n1.0\n5.955818 5.900611 0.000000\n-5.955818 5.900611 0.000000\n0.000000 0.008975 8.745868\nLi Ti Mn O\n11 4 12 32\ndirect\n0.996985 0.749900 0.625057 Li\n0.376809 0.623191 0.000000 Li\n0.627037 0.627983 0.251027 Li\n0.372017 0.372963 0.748973 Li\n0.625740 0.374260 0.500000 Li\n0.127114 0.377155 0.002043 Li\n0.881662 0.378478 0.251775 Li\n0.621522 0.118338 0.748225 Li\n0.877054 0.122946 0.000000 Li\n0.250100 0.003015 0.374943 Li\n0.622845 0.872886 0.997957 Li\n0.371856 0.628144 0.500000 Ti\n0.873542 0.367165 0.749191 Ti\n0.632835 0.126458 0.250809 Ti\n0.130892 0.869108 0.000000 Ti\n0.629095 0.628130 0.745255 Mn\n0.873440 0.626106 0.996323 Mn\n0.124316 0.626127 0.251868 Mn\n0.622301 0.377699 0.000000 Mn\n0.371870 0.370905 0.254745 Mn\n0.126390 0.375768 0.505408 Mn\n0.373894 0.126560 0.003677 Mn\n0.124842 0.121007 0.753447 Mn\n0.880714 0.119286 0.500000 Mn\n0.373873 0.875684 0.748132 Mn\n0.624232 0.873610 0.494592 Mn\n0.878993 0.875158 0.246553 Mn\n0.396347 0.623295 0.730710 O\n0.608194 0.644013 0.492055 O\n0.877046 0.618361 0.213582 O\n0.120725 0.639882 0.009579 O\n0.861722 0.616559 0.772136 O\n0.630624 0.609128 0.001286 O\n0.376705 0.603653 0.269290 O\n0.137924 0.612684 0.489502 O\n0.641082 0.390582 0.737504 O\n0.859134 0.383285 0.983832 O\n0.136115 0.398660 0.246401 O\n0.355987 0.391806 0.507945 O\n0.609418 0.358918 0.262496 O\n0.390872 0.369376 0.998714 O\n0.108559 0.352163 0.760454 O\n0.889920 0.357309 0.516461 O\n0.616715 0.140866 0.016168 O\n0.383441 0.138278 0.227864 O\n0.111405 0.136265 0.522973 O\n0.861720 0.147606 0.758668 O\n0.132749 0.109044 0.986299 O\n0.381639 0.122954 0.786418 O\n0.642691 0.110080 0.483539 O\n0.852394 0.138280 0.241332 O\n0.360118 0.879275 0.990421 O\n0.139595 0.889047 0.766147 O\n0.863735 0.888595 0.477027 O\n0.647837 0.891441 0.239546 O\n0.387316 0.862076 0.510498 O\n0.601340 0.863885 0.753599 O\n0.890956 0.867251 0.013701 O\n0.110953 0.860405 0.233853 O\n",
"nsites": 59,
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"elements": [
"Li",
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.887367309231284,
"density_atomic": 0.09597998884992205,
"volume": 614.7114696195124,
"volume_molar": 6.274371181076554,
"formula_full": "Li11 Ti4 Mn12 O32",
"formula_reduced": "Li11Ti4Mn12O32",
"formula_anonymous": "A4B11C12D32",
"energy": -461.65594259,
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"updated_at": "2021-11-28T01:34:50.408000Z",
"spacegroup": 5
},
{
"id": "mp-1046655",
"created_at": "2022-09-04T14:40:11.805922Z",
"structure_string": "Zn8 Te6 W10 O36\n1.0\n5.253912 7.872683 0.000000\n-5.253912 7.872683 0.000000\n0.000000 0.446826 10.253141\nZn Te W O\n8 6 10 36\ndirect\n0.112293 0.460930 0.682704 Zn\n0.469987 0.459061 0.767320 Zn\n0.539070 0.887707 0.317296 Zn\n0.540939 0.530013 0.232680 Zn\n0.844586 0.075745 0.261652 Zn\n0.852591 0.718996 0.180334 Zn\n0.281004 0.147409 0.819666 Zn\n0.924255 0.155414 0.738348 Zn\n0.665745 0.168119 0.056618 Te\n0.193903 0.806801 0.752692 Te\n0.193199 0.806097 0.247308 Te\n0.572728 0.267194 0.567860 Te\n0.732806 0.427272 0.432140 Te\n0.831881 0.334255 0.943382 Te\n0.196543 0.480320 0.017102 W\n0.870761 0.804312 0.514823 W\n0.669129 0.654642 0.702548 W\n0.048324 0.281926 0.205959 W\n0.345358 0.330871 0.297452 W\n0.076434 0.923566 0.000000 W\n0.314724 0.685276 0.500000 W\n0.718074 0.951676 0.794041 W\n0.195688 0.129239 0.485177 W\n0.519680 0.803457 0.982898 W\n0.629529 0.855909 0.121899 O\n0.264059 0.531445 0.183165 O\n0.365274 0.458520 0.428282 O\n0.293486 0.924353 0.524098 O\n0.468555 0.735941 0.816835 O\n0.075647 0.706514 0.475902 O\n0.715577 0.158506 0.712949 O\n0.963115 0.869752 0.173580 O\n0.425952 0.738517 0.321822 O\n0.889158 0.594773 0.633832 O\n0.383871 0.441759 0.937505 O\n0.498145 0.009308 0.868166 O\n0.130267 0.081676 0.319138 O\n0.266269 0.274564 0.131049 O\n0.558241 0.616129 0.062495 O\n0.684295 0.455871 0.788569 O\n0.008684 0.167536 0.564764 O\n0.725436 0.733731 0.868951 O\n0.541480 0.634726 0.571718 O\n0.832464 0.991316 0.435236 O\n0.248719 0.236841 0.625934 O\n0.135864 0.337291 0.375168 O\n0.130248 0.036885 0.826420 O\n0.544129 0.315705 0.211431 O\n0.011447 0.149783 0.068177 O\n0.315395 0.901192 0.022589 O\n0.990692 0.501855 0.131834 O\n0.841494 0.284423 0.287051 O\n0.918324 0.869733 0.680862 O\n0.662709 0.864136 0.624832 O\n0.763159 0.751281 0.374066 O\n0.098808 0.684605 0.977411 O\n0.261483 0.574048 0.678178 O\n0.405227 0.110842 0.366168 O\n0.850217 0.988553 0.931823 O\n0.144091 0.370471 0.878101 O\n",
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],
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"formula_full": "Zn8 Te6 W10 O36",
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"spacegroup": 5
},
{
"id": "mp-1224904",
"created_at": "2022-09-04T14:40:12.514056Z",
"structure_string": "Ga2 Fe1 P3 O12\n1.0\n2.491393 4.360250 0.000000\n-2.491393 4.360250 0.000000\n0.000000 0.022282 11.282663\nGa Fe P O\n2 1 3 12\ndirect\n0.541535 0.000278 0.665106 Ga\n0.999722 0.458465 0.334894 Ga\n0.453856 0.546144 0.000000 Fe\n0.458327 0.541673 0.500000 P\n0.543009 0.002140 0.169323 P\n0.997860 0.456991 0.830677 P\n0.588263 0.314754 0.605765 O\n0.316142 0.094688 0.275059 O\n0.088738 0.587568 0.936943 O\n0.685246 0.411737 0.394235 O\n0.905312 0.683858 0.724941 O\n0.412432 0.911262 0.063057 O\n0.409828 0.857367 0.540351 O\n0.859633 0.727462 0.207863 O\n0.732053 0.406930 0.870006 O\n0.142633 0.590172 0.459649 O\n0.272538 0.140367 0.792137 O\n0.593070 0.267947 0.129994 O\n",
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"elements": [
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],
"chemical_system": "Fe-Ga-O-P",
"density": 3.2529741352830484,
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"formula_full": "Ga2 Fe1 P3 O12",
"formula_reduced": "Ga2Fe(PO4)3",
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},
{
"id": "mp-1221351",
"created_at": "2022-09-04T14:40:12.245419Z",
"structure_string": "Na2 Mg1 Zn5 As6 O24\n1.0\n6.187541 6.117789 0.000000\n-6.187541 6.117789 0.000000\n0.000000 2.701547 6.349420\nNa Mg Zn As O\n2 1 5 6 24\ndirect\n0.009411 0.990589 0.500000 Na\n0.990658 0.009342 0.000000 Na\n0.717223 0.282777 0.500000 Mg\n0.049941 0.367225 0.628184 Zn\n0.632775 0.950059 0.371816 Zn\n0.949178 0.632436 0.872191 Zn\n0.367564 0.050822 0.127809 Zn\n0.283562 0.716438 0.000000 Zn\n0.889507 0.662183 0.364970 As\n0.337817 0.110493 0.635030 As\n0.110412 0.338735 0.135490 As\n0.661265 0.889588 0.864510 As\n0.311355 0.688645 0.500000 As\n0.689255 0.310745 0.000000 As\n0.978826 0.599974 0.566229 O\n0.400026 0.021174 0.433771 O\n0.021765 0.400228 0.933826 O\n0.599772 0.978235 0.066174 O\n0.197814 0.732215 0.725398 O\n0.267785 0.802186 0.274602 O\n0.801264 0.268101 0.774127 O\n0.731899 0.198736 0.225873 O\n0.277050 0.487429 0.516564 O\n0.512571 0.722950 0.483436 O\n0.723179 0.512267 0.983589 O\n0.487733 0.276821 0.016411 O\n0.142265 0.150979 0.654248 O\n0.849021 0.857735 0.345752 O\n0.856804 0.848576 0.845550 O\n0.151424 0.143196 0.154450 O\n0.973452 0.328158 0.376417 O\n0.671842 0.026548 0.623583 O\n0.025627 0.671433 0.123141 O\n0.328567 0.974373 0.876859 O\n0.723688 0.533089 0.413869 O\n0.466911 0.276312 0.586131 O\n0.278329 0.467538 0.084276 O\n0.532462 0.721671 0.915724 O\n",
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"formula_full": "Na2 Mg1 Zn5 As6 O24",
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{
"id": "mp-1337089",
"created_at": "2022-09-04T14:41:11.756621Z",
"structure_string": "Ca4 Cu2 Rh2 O12\n1.0\n4.639879 4.545319 0.000000\n-4.639879 4.545319 0.000000\n0.000000 0.214911 6.358469\nCa Cu Rh O\n4 2 2 12\ndirect\n0.386468 0.241320 0.621773 Ca\n0.098698 0.901302 0.000000 Ca\n0.758680 0.613532 0.378227 Ca\n0.898747 0.101253 0.500000 Ca\n0.313625 0.686375 0.500000 Cu\n0.666839 0.333161 0.000000 Cu\n0.000970 0.499014 0.760197 Rh\n0.500986 0.999030 0.239803 Rh\n0.078851 0.209206 0.799233 O\n0.880860 0.517351 0.043357 O\n0.221455 0.071295 0.320964 O\n0.790794 0.921149 0.200767 O\n0.624066 0.291609 0.291399 O\n0.285265 0.614221 0.784764 O\n0.522184 0.884309 0.535067 O\n0.928705 0.778545 0.679036 O\n0.115691 0.477816 0.464933 O\n0.708391 0.375934 0.708601 O\n0.385779 0.714735 0.215236 O\n0.482649 0.119140 0.956643 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.24246060519468,
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"volume": 268.19679109002055,
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"formula_full": "Ca4 Cu2 Rh2 O12",
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"energy": -127.5980905,
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{
"id": "mp-675991",
"created_at": "2022-09-04T14:40:12.636482Z",
"structure_string": "Cd3 Bi10 O20\n1.0\n5.036957 7.263012 0.000000\n-5.036957 7.263012 0.000000\n0.000000 7.240288 7.367808\nCd Bi O\n3 10 20\ndirect\n0.999697 0.000303 0.000000 Cd\n0.320557 0.307152 0.868940 Cd\n0.692848 0.679443 0.131060 Cd\n0.180827 0.826335 0.681344 Bi\n0.133103 0.501214 0.189489 Bi\n0.173665 0.819173 0.318656 Bi\n0.339264 0.329474 0.500888 Bi\n0.502606 0.134926 0.176122 Bi\n0.498786 0.866897 0.810511 Bi\n0.670526 0.660736 0.499112 Bi\n0.814353 0.157622 0.702825 Bi\n0.865074 0.497394 0.823878 Bi\n0.842378 0.185647 0.297175 Bi\n0.002087 0.734393 0.010379 O\n0.255975 0.274204 0.375792 O\n0.982520 0.262670 0.755416 O\n0.117256 0.626694 0.612691 O\n0.001824 0.650074 0.349476 O\n0.373306 0.882744 0.387309 O\n0.247971 0.241754 0.140281 O\n0.367035 0.613241 0.742406 O\n0.265607 0.997913 0.989621 O\n0.386759 0.632965 0.257594 O\n0.644625 0.001455 0.004302 O\n0.623135 0.365840 0.265753 O\n0.634160 0.376865 0.734247 O\n0.349926 0.998176 0.650524 O\n0.619060 0.124845 0.637698 O\n0.758246 0.752029 0.859719 O\n0.725796 0.744025 0.624208 O\n0.875155 0.380940 0.362302 O\n0.737330 0.017480 0.244584 O\n0.998545 0.355375 0.995698 O\n",
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"elements": [
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],
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"density": 8.461715291385856,
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"volume": 539.0801004697686,
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"formula_full": "Cd3 Bi10 O20",
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}
]
}