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{
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"results": [
{
"id": "mp-1247722",
"created_at": "2022-09-04T14:40:40.158066Z",
"structure_string": "Sr4 Ca28 Mn28 Al4 O90\n1.0\n10.869341 -0.001869 -0.101859\n-0.001934 15.187126 0.008099\n-0.099701 0.006147 10.811688\nSr Ca Mn Al O\n4 28 28 4 90\ndirect\n0.002314 0.119452 0.500681 Sr\n0.498677 0.371655 0.990960 Sr\n0.244603 0.376718 0.247991 Sr\n0.257081 0.122980 0.237573 Sr\n0.007120 0.110886 0.004674 Ca\n0.017148 0.629242 0.499085 Ca\n0.019261 0.626847 0.996091 Ca\n0.535000 0.125233 0.495643 Ca\n0.530439 0.123733 0.995170 Ca\n0.524355 0.634107 0.510732 Ca\n0.523878 0.624785 0.979631 Ca\n0.496400 0.371408 0.509050 Ca\n0.480887 0.873272 0.998905 Ca\n0.478985 0.873490 0.508906 Ca\n0.973663 0.383011 0.004597 Ca\n0.961485 0.384381 0.499038 Ca\n0.978721 0.873660 0.006345 Ca\n0.973868 0.872587 0.503031 Ca\n0.234171 0.391119 0.763368 Ca\n0.233157 0.875779 0.245406 Ca\n0.227759 0.872027 0.748180 Ca\n0.738261 0.364627 0.244789 Ca\n0.733473 0.374430 0.749198 Ca\n0.733238 0.874344 0.245347 Ca\n0.728801 0.876065 0.741814 Ca\n0.264435 0.114448 0.758319 Ca\n0.240414 0.634030 0.242277 Ca\n0.268836 0.628476 0.755391 Ca\n0.767295 0.120476 0.255052 Ca\n0.778103 0.122157 0.756020 Ca\n0.777268 0.626761 0.254901 Ca\n0.772099 0.625410 0.755077 Ca\n0.002040 -0.000475 0.250902 Mn\n0.997632 0.995473 0.752778 Mn\n0.000726 0.499010 0.251838 Mn\n0.995398 0.499498 0.751582 Mn\n0.496185 0.000516 0.745205 Mn\n0.512055 0.490600 0.241967 Mn\n0.499108 0.500722 0.746494 Mn\n0.250717 0.000127 -0.000769 Mn\n0.249242 0.501934 0.002412 Mn\n0.237451 0.499242 0.511740 Mn\n0.750579 0.996560 0.995394 Mn\n0.745681 0.998371 0.496584 Mn\n0.753360 0.502483 0.999548 Mn\n0.744240 0.504069 0.500555 Mn\n0.252266 0.240394 0.478433 Mn\n0.249557 0.751367 0.998710 Mn\n0.249874 0.750557 0.498772 Mn\n0.762841 0.246286 0.005630 Mn\n0.749451 0.250544 0.503173 Mn\n0.749054 0.750193 0.998968 Mn\n0.748382 0.750778 0.498536 Mn\n0.004292 0.251211 0.762820 Mn\n0.998404 0.752498 0.250375 Mn\n0.998256 0.750080 0.749526 Mn\n0.501649 0.242828 0.247883 Mn\n0.515328 0.242618 0.751689 Mn\n0.497149 0.760063 0.254032 Mn\n0.499271 0.752025 0.751079 Mn\n0.515656 0.998984 0.228702 Al\n0.227378 0.992969 0.516023 Al\n0.275178 0.247013 0.975182 Al\n0.983255 0.250888 0.270220 Al\n0.106472 0.769900 0.106073 O\n0.104772 0.771195 0.604561 O\n0.616365 0.264870 0.116601 O\n0.606218 0.262738 0.603808 O\n0.601581 0.766099 0.105608 O\n0.603119 0.768223 0.604378 O\n0.403856 0.223019 0.393662 O\n0.408851 0.228165 0.886661 O\n0.389893 0.717559 0.388437 O\n0.394310 0.732354 0.895814 O\n0.886082 0.240433 0.398987 O\n0.908650 0.232186 0.911414 O\n0.891608 0.730761 0.392833 O\n0.893438 0.728782 0.894524 O\n0.131895 0.236861 0.348787 O\n0.174059 0.247029 0.816985 O\n0.139740 0.732049 0.359214 O\n0.145013 0.732674 0.852448 O\n0.647345 0.227474 0.355473 O\n0.661252 0.229578 0.861527 O\n0.640305 0.728322 0.353937 O\n0.643824 0.728113 0.854735 O\n0.359873 0.260336 0.134718 O\n0.352454 0.761276 0.147417 O\n0.356039 0.770287 0.644076 O\n0.876929 0.272340 0.142698 O\n0.868051 0.274464 0.640140 O\n0.854210 0.770712 0.145367 O\n0.854909 0.772846 0.642993 O\n0.361172 0.508054 0.161066 O\n0.357413 0.485228 0.639688 O\n0.359444 0.984939 0.142450 O\n0.355739 0.979076 0.633550 O\n0.852714 0.480698 0.150564 O\n0.848782 0.479502 0.646714 O\n0.860862 0.975606 0.139357 O\n0.854678 0.980427 0.643414 O\n0.146446 0.014502 0.364966 O\n0.143038 0.012718 0.855413 O\n0.154730 0.515609 0.356882 O\n0.147279 0.518773 0.853365 O\n0.633418 0.023594 0.359537 O\n0.641908 0.024734 0.852706 O\n0.623708 0.532905 0.359587 O\n0.645095 0.516670 0.851492 O\n0.392633 0.022589 0.892923 O\n0.392595 0.512566 0.895197 O\n0.884952 0.014489 0.384183 O\n0.890839 0.017116 0.890898 O\n0.893496 0.519232 0.396282 O\n0.896761 0.519276 0.899619 O\n0.104859 0.483530 0.107212 O\n0.094158 0.475694 0.612262 O\n0.109248 0.982617 0.107866 O\n0.098865 0.975532 0.613556 O\n0.609866 0.491875 0.100977 O\n0.599022 0.487969 0.599773 O\n0.613633 0.976689 0.099976 O\n0.602942 0.981264 0.602479 O\n0.011963 0.374782 0.283099 O\n0.010536 0.376037 0.792727 O\n0.011321 0.875111 0.289314 O\n0.006752 0.873159 0.793401 O\n0.494055 0.372923 0.293550 O\n0.497316 0.370763 0.761442 O\n0.493951 0.889967 0.294537 O\n0.511022 0.876374 0.787522 O\n0.493015 0.118754 0.215270 O\n0.480263 0.124970 0.701119 O\n0.487241 0.626464 0.719939 O\n0.992742 0.128006 0.219176 O\n0.999156 0.126322 0.724821 O\n0.998143 0.625785 0.213944 O\n0.988213 0.625088 0.711545 O\n0.220623 0.136954 0.015585 O\n0.241422 0.122229 0.535776 O\n0.235802 0.626146 0.030178 O\n0.238324 0.624916 0.539659 O\n0.750637 0.121491 0.041704 O\n0.751794 0.125395 0.539926 O\n0.740673 0.626687 0.039000 O\n0.743083 0.627290 0.540248 O\n0.268990 0.362959 0.499508 O\n0.248130 0.369041 0.985464 O\n0.262945 0.877348 0.461230 O\n0.264275 0.875883 0.963213 O\n0.741781 0.378775 0.461047 O\n0.754821 0.376198 0.965975 O\n0.753296 0.874176 0.459152 O\n0.758673 0.873627 0.955761 O\n",
"nsites": 154,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O-Sr",
"density": 4.241945946327293,
"density_atomic": 0.08629508863969271,
"volume": 1784.5743300988443,
"volume_molar": 6.97854403411555,
"formula_full": "Sr4 Ca28 Mn28 Al4 O90",
"formula_reduced": "Sr2Ca14Mn14Al2O45",
"formula_anonymous": "A2B2C14D14E45",
"energy": -1178.05434703,
"energy_per_atom": -7.6497035521428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1069.52034703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 92.0000011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.063000Z",
"spacegroup": 1
},
{
"id": "mp-1224835",
"created_at": "2022-09-04T14:40:39.973935Z",
"structure_string": "Fe2 Pb3 W1 O9\n1.0\n4.021153 -0.000025 4.021126\n0.000011 4.021295 4.021090\n-4.031917 -4.032132 4.031915\nFe Pb W O\n2 3 1 9\ndirect\n0.666670 0.666648 0.166655 Fe\n0.999984 0.000013 0.499993 Fe\n0.333185 0.333214 0.333401 Pb\n0.666657 0.666683 0.623338 Pb\n0.000073 0.000000 0.043329 Pb\n0.333377 0.333396 0.833351 W\n0.333340 0.833350 0.333341 O\n0.833317 0.833338 0.333328 O\n0.833384 0.333358 0.333316 O\n0.655784 0.172081 0.670057 O\n0.010898 0.494541 0.996621 O\n0.172135 0.172126 0.670037 O\n0.494554 0.494573 0.996577 O\n0.172133 0.655758 0.670049 O\n0.494511 0.010920 0.996609 O\n",
"nsites": 15,
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"elements": [
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"Pb",
"W",
"O"
],
"chemical_system": "Fe-O-Pb-W",
"density": 9.008786846277925,
"density_atomic": 0.07669059196799867,
"volume": 195.5911359539274,
"volume_molar": 7.8525156808189855,
"formula_full": "Fe2 Pb3 W1 O9",
"formula_reduced": "Fe2Pb3WO9",
"formula_anonymous": "AB2C3D9",
"energy": -111.78538757,
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"updated_at": "2021-11-28T01:35:08.146000Z",
"spacegroup": 164
},
{
"id": "mp-27523",
"created_at": "2022-09-04T14:40:39.667724Z",
"structure_string": "V2 P2 Cl18\n1.0\n6.172529 -8.478424 0.000000\n6.172529 8.478424 0.000000\n0.000000 0.000000 6.438917\nV P Cl\n2 2 18\ndirect\n0.750000 0.250000 0.613359 V\n0.250000 0.750000 0.386641 V\n0.750000 0.750000 0.000000 P\n0.250000 0.250000 0.000000 P\n0.224507 0.091769 0.822646 Cl\n0.408231 0.275493 0.177354 Cl\n0.908093 0.408093 0.767736 Cl\n0.091907 0.591907 0.232264 Cl\n0.408093 0.908093 0.232264 Cl\n0.591907 0.091907 0.767736 Cl\n0.750000 0.250000 0.269809 Cl\n0.250000 0.750000 0.730191 Cl\n0.112489 0.887511 0.391521 Cl\n0.612489 0.387511 0.608479 Cl\n0.387511 0.612489 0.391521 Cl\n0.887511 0.112489 0.608479 Cl\n0.275493 0.408231 0.822646 Cl\n0.091769 0.224507 0.177354 Cl\n0.775493 0.908231 0.177354 Cl\n0.591769 0.724507 0.822646 Cl\n0.908231 0.775493 0.822646 Cl\n0.724507 0.591769 0.177354 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"P",
"Cl"
],
"chemical_system": "Cl-P-V",
"density": 1.9760320853078113,
"density_atomic": 0.03264386609266681,
"volume": 673.9397820573136,
"volume_molar": 18.44800105142211,
"formula_full": "V2 P2 Cl18",
"formula_reduced": "VPCl9",
"formula_anonymous": "ABC9",
"energy": -92.15342574,
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"updated_at": "2021-11-28T01:35:06.466000Z",
"spacegroup": 67
},
{
"id": "mp-560199",
"created_at": "2022-09-04T14:40:39.255827Z",
"structure_string": "Mn10 Si10 O30\n1.0\n6.801659 0.000000 0.000000\n-0.619360 7.705474 0.000000\n-0.512616 -3.319077 11.549643\nMn Si O\n10 10 30\ndirect\n0.130183 0.316159 0.446655 Mn\n0.655640 0.033123 0.705523 Mn\n0.027668 0.122596 0.147140 Mn\n0.344360 0.966877 0.294477 Mn\n0.208062 0.701641 0.027975 Mn\n0.791938 0.298359 0.972025 Mn\n0.814065 0.490066 0.269146 Mn\n0.185935 0.509934 0.730854 Mn\n0.972332 0.877404 0.852860 Mn\n0.869817 0.683841 0.553345 Mn\n0.494190 0.223576 0.124131 Si\n0.242693 0.255106 0.910945 Si\n0.702756 0.451267 0.733844 Si\n0.297244 0.548733 0.266156 Si\n0.757307 0.744894 0.089055 Si\n0.361510 0.739869 0.533556 Si\n0.150903 0.075926 0.655246 Si\n0.638490 0.260131 0.466444 Si\n0.505810 0.776424 0.875869 Si\n0.849097 0.924074 0.344754 Si\n0.891350 0.595293 0.732336 O\n0.419471 0.230899 0.402291 O\n0.482380 0.426546 0.217861 O\n0.944694 0.843703 0.039760 O\n0.337590 0.068958 0.145054 O\n0.195363 0.598129 0.565558 O\n0.269083 0.796442 0.869175 O\n0.262217 0.695825 0.195090 O\n0.705739 0.861001 0.220947 O\n0.662410 0.931042 0.854946 O\n0.294261 0.138999 0.779053 O\n0.108650 0.404707 0.267664 O\n0.890184 0.748776 0.387962 O\n0.283634 0.944940 0.562075 O\n0.716366 0.055060 0.437925 O\n0.055306 0.156297 0.960240 O\n0.109816 0.251224 0.612038 O\n0.956794 0.954605 0.680118 O\n0.383686 0.678653 0.393258 O\n0.444691 0.256544 0.994207 O\n0.616314 0.321347 0.606742 O\n0.188965 0.452180 0.904676 O\n0.730917 0.203558 0.130825 O\n0.737783 0.304175 0.804910 O\n0.555309 0.743456 0.005793 O\n0.811035 0.547820 0.095324 O\n0.043206 0.045395 0.319882 O\n0.517620 0.573454 0.782139 O\n0.804637 0.401871 0.434442 O\n0.580529 0.769101 0.597709 O\n",
"nsites": 50,
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"elements": [
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"Si",
"O"
],
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"density": 3.5942617576944245,
"density_atomic": 0.08260136605798121,
"volume": 605.3168656424277,
"volume_molar": 7.290606738601415,
"formula_full": "Mn10 Si10 O30",
"formula_reduced": "MnSiO3",
"formula_anonymous": "ABC3",
"energy": -433.7610329900001,
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"updated_at": "2021-11-28T01:35:06.941000Z",
"spacegroup": 2
},
{
"id": "mp-1212083",
"created_at": "2022-09-04T14:40:39.977729Z",
"structure_string": "Ho1 Fe3 B4 O12\n1.0\n3.772951 -4.825930 0.000000\n3.772951 4.825930 0.000000\n-2.399830 0.000000 5.636096\nHo Fe B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Ho\n0.047283 0.952717 0.500000 Fe\n0.952717 0.500000 0.047283 Fe\n0.500000 0.047283 0.952717 Fe\n0.452037 0.547963 0.000000 B\n0.547963 0.000000 0.452037 B\n0.000000 0.452037 0.547963 B\n0.000000 0.000000 0.000000 B\n0.298821 0.525568 0.132767 O\n0.525568 0.132767 0.298821 O\n0.701179 0.867233 0.474432 O\n0.132767 0.298821 0.525568 O\n0.474432 0.701179 0.867233 O\n0.867233 0.474432 0.701179 O\n0.856511 0.143489 0.000000 O\n0.143489 0.000000 0.856511 O\n0.000000 0.856511 0.143489 O\n0.595242 0.404758 0.000000 O\n0.404758 0.000000 0.595242 O\n0.000000 0.595242 0.404758 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Ho-O",
"density": 4.593027575240793,
"density_atomic": 0.09744497195895693,
"volume": 205.24404284731946,
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"formula_full": "Ho1 Fe3 B4 O12",
"formula_reduced": "HoFe3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -167.63657154,
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"updated_at": "2021-11-28T01:35:03.804000Z",
"spacegroup": 155
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{
"id": "mp-1022314",
"created_at": "2022-09-04T14:40:39.981536Z",
"structure_string": "Mg12 Fe2 Sn2\n1.0\n4.924380 0.000000 0.000000\n0.000000 6.343512 0.000000\n0.000000 0.000000 10.727105\nMg Fe Sn\n12 2 2\ndirect\n0.000000 0.244202 0.084238 Mg\n0.000000 0.755798 0.084238 Mg\n0.000000 0.500000 0.836896 Mg\n0.500000 0.238448 0.910161 Mg\n0.500000 0.761552 0.910161 Mg\n0.500000 0.500000 0.666412 Mg\n0.000000 0.744202 0.584238 Mg\n0.000000 0.255798 0.584238 Mg\n0.000000 0.000000 0.336896 Mg\n0.500000 0.738448 0.410161 Mg\n0.500000 0.261552 0.410161 Mg\n0.500000 0.000000 0.166412 Mg\n0.000000 0.500000 0.339216 Fe\n0.000000 0.000000 0.839216 Fe\n0.500000 0.500000 0.168677 Sn\n0.500000 0.000000 0.668677 Sn\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.175319363208181,
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"volume": 335.09184305488145,
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"formula_full": "Mg12 Fe2 Sn2",
"formula_reduced": "Mg6FeSn",
"formula_anonymous": "ABC6",
"energy": -42.6571031,
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"updated_at": "2021-11-28T01:35:04.844000Z",
"spacegroup": 38
},
{
"id": "mp-1520426",
"created_at": "2022-09-04T14:40:39.209567Z",
"structure_string": "K1 Ce1 Nd1 Mn1 O6\n1.0\n0.000000 -4.098865 -4.098865\n4.098865 0.000000 -4.098865\n4.098865 -4.098865 0.000000\nK Ce Nd Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Mn\n0.733286 0.266714 0.266714 O\n0.266714 0.733286 0.733286 O\n0.733286 0.266714 0.733286 O\n0.266714 0.733286 0.266714 O\n0.733286 0.733286 0.266714 O\n0.266714 0.266714 0.733286 O\n",
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"elements": [
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"Nd",
"Mn",
"O"
],
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"density": 5.7195843021117545,
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"volume": 137.72755558741073,
"volume_molar": 8.294147262781118,
"formula_full": "K1 Ce1 Nd1 Mn1 O6",
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"formula_anonymous": "ABCDE6",
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