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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=11504",
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"results": [
{
"id": "mp-778358",
"created_at": "2022-09-04T14:39:08.438310Z",
"structure_string": "Li8 Mn12 B12 O36\n1.0\n3.169800 14.407586 0.000000\n-3.169800 14.407586 0.000000\n0.000000 0.009069 8.245193\nLi Mn B O\n8 12 12 36\ndirect\n0.743634 0.743634 0.705950 Li\n0.243676 0.243676 0.710488 Li\n0.428954 0.428954 0.660405 Li\n0.073674 0.073674 0.628052 Li\n0.994042 0.994042 0.210937 Li\n0.493569 0.493569 0.210532 Li\n0.678935 0.678935 0.162853 Li\n0.823203 0.823203 0.126659 Li\n0.751475 0.252214 0.856163 Mn\n0.252214 0.751475 0.856163 Mn\n0.906112 0.400817 0.829121 Mn\n0.400817 0.906112 0.829121 Mn\n0.590794 0.091187 0.811629 Mn\n0.091187 0.590794 0.811629 Mn\n0.499058 0.004113 0.356449 Mn\n0.004113 0.499058 0.356449 Mn\n0.657790 0.150760 0.329089 Mn\n0.150760 0.657790 0.329089 Mn\n0.843490 0.337400 0.314909 Mn\n0.337400 0.843490 0.314909 Mn\n0.992365 0.503710 0.993228 B\n0.503710 0.992365 0.993228 B\n0.915612 0.915612 0.001365 B\n0.417356 0.417356 0.004297 B\n0.081052 0.081052 0.997223 B\n0.581443 0.581443 0.007726 B\n0.751232 0.245092 0.495228 B\n0.245092 0.751232 0.495228 B\n0.331198 0.331198 0.506878 B\n0.831235 0.831235 0.495055 B\n0.667520 0.667520 0.503830 B\n0.165093 0.165093 0.503370 B\n0.465091 0.465091 0.982074 O\n0.963152 0.963152 0.981790 O\n0.629887 0.629887 0.988154 O\n0.128563 0.128563 0.974991 O\n0.052163 0.052163 0.860911 O\n0.552851 0.552851 0.877177 O\n0.884822 0.884822 0.873620 O\n0.388865 0.388865 0.869135 O\n0.977134 0.474264 0.843103 O\n0.474264 0.977134 0.843103 O\n0.812680 0.812680 0.650283 O\n0.313214 0.313214 0.665133 O\n0.651026 0.651026 0.660958 O\n0.146058 0.146058 0.658701 O\n0.705366 0.239885 0.634472 O\n0.239885 0.705366 0.634472 O\n0.820496 0.270859 0.502084 O\n0.270859 0.820496 0.502084 O\n0.212565 0.212565 0.483307 O\n0.715073 0.715073 0.478019 O\n0.878896 0.878896 0.473270 O\n0.379573 0.379573 0.486726 O\n0.802553 0.802553 0.359064 O\n0.302234 0.302234 0.376978 O\n0.638308 0.638308 0.369991 O\n0.134420 0.134420 0.375218 O\n0.728186 0.224394 0.343892 O\n0.224394 0.728186 0.343892 O\n0.062294 0.062294 0.152039 O\n0.563313 0.563313 0.165988 O\n0.896474 0.896474 0.156709 O\n0.400585 0.400585 0.160874 O\n0.958212 0.486999 0.133946 O\n0.486999 0.958212 0.133946 O\n0.563465 0.029583 0.998465 O\n0.029583 0.563465 0.998465 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.132094704771693,
"density_atomic": 0.0902931926724551,
"volume": 753.1021773332877,
"volume_molar": 6.669540174358148,
"formula_full": "Li8 Mn12 B12 O36",
"formula_reduced": "Li2Mn3(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy": -548.28006264,
"energy_per_atom": -8.062942097647058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -503.53206264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0014059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.394000Z",
"spacegroup": 8
},
{
"id": "mp-1520922",
"created_at": "2022-09-04T14:39:08.463943Z",
"structure_string": "Pr1 Eu1 Mn1 Nb1 O6\n1.0\n0.000000 -4.080311 -4.080311\n4.080311 -0.000000 -4.080311\n4.080311 -4.080311 0.000000\nPr Eu Mn Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.744076 0.255924 0.255924 O\n0.255924 0.744076 0.744076 O\n0.744076 0.255924 0.744076 O\n0.255924 0.744076 0.255924 O\n0.744076 0.744076 0.255924 O\n0.255924 0.255924 0.744076 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Mn",
"Nb",
"O"
],
"chemical_system": "Eu-Mn-Nb-O-Pr",
"density": 6.559654919349598,
"density_atomic": 0.07360210003503491,
"volume": 135.86568855019024,
"volume_molar": 8.18202300903566,
"formula_full": "Pr1 Eu1 Mn1 Nb1 O6",
"formula_reduced": "PrEuMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -93.85252599,
"energy_per_atom": -9.385252599000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -88.06252599000001,
"band_gap": 0.1095000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.562000Z",
"spacegroup": 216
},
{
"id": "mp-754862",
"created_at": "2022-09-04T14:39:08.500743Z",
"structure_string": "V3 Sb1 P4 O16\n1.0\n5.032801 0.004396 -0.000003\n0.006783 10.316966 -0.000001\n-0.000003 -0.000001 6.040567\nV Sb P O\n3 1 4 16\ndirect\n0.471906 0.228195 0.750002 V\n0.532524 0.779079 0.249999 V\n0.976563 0.265828 0.249993 V\n0.026181 0.723496 0.749999 Sb\n0.110418 0.597223 0.250001 P\n0.414590 0.100150 0.250001 P\n0.570030 0.913357 0.749998 P\n0.905194 0.387358 0.750002 P\n0.120091 0.450063 0.250000 O\n0.276389 0.661675 0.054089 O\n0.276388 0.661675 0.445906 O\n0.205447 0.366552 0.750000 O\n0.268653 0.894306 0.750000 O\n0.266973 0.171802 0.051962 O\n0.266973 0.171801 0.448042 O\n0.360448 0.954124 0.249999 O\n0.638478 0.056830 0.749999 O\n0.706173 0.842201 0.547592 O\n0.706173 0.842201 0.952408 O\n0.713054 0.125656 0.250002 O\n0.825224 0.648079 0.249998 O\n0.766207 0.314447 0.549524 O\n0.766209 0.314448 0.950482 O\n0.829715 0.529448 0.750001 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"V",
"Sb",
"P",
"O"
],
"chemical_system": "O-P-Sb-V",
"density": 3.4649709088955185,
"density_atomic": 0.07651948309126022,
"volume": 313.6456106397979,
"volume_molar": 7.870075066787569,
"formula_full": "V3 Sb1 P4 O16",
"formula_reduced": "V3Sb(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -193.49677448,
"energy_per_atom": -8.062365603333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.40477448,
"band_gap": 1.5302999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.944000Z",
"spacegroup": 6
},
{
"id": "mp-1093836",
"created_at": "2022-09-04T14:39:08.552209Z",
"structure_string": "Sc2 In1 Tc1\n1.0\n-5.140923 6.899033 9.484310\n5.140923 -6.899033 9.484310\n5.140923 6.899033 -9.484310\nSc In Tc\n2 1 1\ndirect\n0.000000 0.213831 0.213831 Sc\n0.000000 0.786169 0.786169 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Tc"
],
"chemical_system": "In-Sc-Tc",
"density": 0.3736020515776211,
"density_atomic": 0.0029727948358371542,
"volume": 1345.535168380895,
"volume_molar": 202.57505453800127,
"formula_full": "Sc2 In1 Tc1",
"formula_reduced": "Sc2InTc",
"formula_anonymous": "ABC2",
"energy": -16.23917371,
"energy_per_atom": -4.0597934275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23917371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3924479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.170000Z",
"spacegroup": 71
},
{
"id": "mp-1080246",
"created_at": "2022-09-04T14:39:08.552215Z",
"structure_string": "Mn12 H2 O24\n1.0\n2.963993 4.663095 0.000000\n-2.963993 4.663095 0.000000\n0.000000 0.569292 13.901040\nMn H O\n12 2 24\ndirect\n0.747252 0.498520 0.502470 Mn\n0.252820 0.998873 0.500671 Mn\n0.482204 0.232571 0.155243 Mn\n0.989331 0.738613 0.158845 Mn\n0.518087 0.257184 0.845236 Mn\n0.008170 0.768799 0.845225 Mn\n0.498520 0.747252 0.002470 Mn\n0.998873 0.252820 0.000671 Mn\n0.738613 0.989331 0.658845 Mn\n0.232571 0.482204 0.655243 Mn\n0.768799 0.008170 0.345225 Mn\n0.257184 0.518087 0.345236 Mn\n0.711839 0.472638 0.257928 H\n0.472638 0.711839 0.757928 H\n0.668759 0.413937 0.933133 O\n0.164315 0.918328 0.933818 O\n0.330333 0.082446 0.070132 O\n0.834205 0.583569 0.069574 O\n0.413937 0.668759 0.433133 O\n0.918328 0.164315 0.433818 O\n0.583569 0.834205 0.569574 O\n0.082446 0.330333 0.570132 O\n0.164962 0.414516 0.904607 O\n0.661156 0.911039 0.903740 O\n0.334965 0.580331 0.097753 O\n0.834877 0.089580 0.096846 O\n0.414516 0.164962 0.404607 O\n0.911039 0.661156 0.403740 O\n0.580331 0.334965 0.597753 O\n0.089580 0.834877 0.596846 O\n0.363374 0.611281 0.768954 O\n0.855835 0.106713 0.772456 O\n0.142824 0.396731 0.231505 O\n0.648105 0.892071 0.231822 O\n0.611281 0.363374 0.268954 O\n0.106713 0.855835 0.272456 O\n0.396731 0.142824 0.731505 O\n0.892071 0.648105 0.731822 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.516935408897384,
"density_atomic": 0.09889056791289895,
"volume": 384.2631385580647,
"volume_molar": 6.089701866515919,
"formula_full": "Mn12 H2 O24",
"formula_reduced": "Mn6HO12",
"formula_anonymous": "AB6C12",
"energy": -302.82498451000004,
"energy_per_atom": -7.969078539736843,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -266.32098451,
"band_gap": 0.0,
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"total_magnetization": 38.0007459,
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"updated_at": "2021-11-28T01:34:26.161000Z",
"spacegroup": 9
},
{
"id": "mp-1226315",
"created_at": "2022-09-04T14:39:08.586145Z",
"structure_string": "Cr4 Fe1 Cu1 Se8\n1.0\n0.000000 5.242158 5.242158\n5.242158 0.000000 5.242158\n5.242158 5.242158 0.000000\nCr Fe Cu Se\n4 1 1 8\ndirect\n0.630096 0.123301 0.123301 Cr\n0.123301 0.630096 0.123301 Cr\n0.123301 0.123301 0.630096 Cr\n0.123301 0.123301 0.123301 Cr\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Cu\n0.350928 0.883024 0.883024 Se\n0.883024 0.350928 0.883024 Se\n0.883024 0.883024 0.350928 Se\n0.883024 0.883024 0.883024 Se\n0.897138 0.367621 0.367621 Se\n0.367621 0.897138 0.367621 Se\n0.367621 0.367621 0.897138 Se\n0.367621 0.367621 0.367621 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Cu",
"Se"
],
"chemical_system": "Cr-Cu-Fe-Se",
"density": 5.52754742139305,
"density_atomic": 0.048592329595339843,
"volume": 288.1113154398476,
"volume_molar": 12.393192115196596,
"formula_full": "Cr4 Fe1 Cu1 Se8",
"formula_reduced": "Cr4FeCuSe8",
"formula_anonymous": "ABC4D8",
"energy": -89.07580978,
"energy_per_atom": -6.362557841428571,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:37.613000Z",
"spacegroup": 216
},
{
"id": "mp-761404",
"created_at": "2022-09-04T14:39:08.586130Z",
"structure_string": "Co10 Cu2 O16\n1.0\n0.000070 4.081621 4.076719\n8.210162 -4.145448 4.141480\n4.076692 0.003757 -4.079740\nCo Cu O\n10 2 16\ndirect\n0.501583 0.499424 0.001712 Co\n0.001140 0.998935 0.998342 Co\n0.624744 0.128182 0.250836 Co\n0.126762 0.628113 0.249926 Co\n0.560753 0.813204 0.123142 Co\n0.064008 0.312394 0.125609 Co\n0.059508 0.812875 0.622792 Co\n0.564268 0.312196 0.626342 Co\n0.064596 0.311829 0.626441 Co\n0.560385 0.813217 0.623241 Co\n0.813796 0.562493 0.625952 Cu\n0.311952 0.062412 0.625880 Cu\n0.691875 0.919150 0.386099 O\n0.195324 0.418545 0.388428 O\n0.428386 0.707830 0.859419 O\n0.931427 0.205955 0.863346 O\n0.915829 0.700261 0.378785 O\n0.420760 0.198073 0.382853 O\n0.203098 0.925357 0.410418 O\n0.708918 0.423433 0.415097 O\n0.204070 0.924023 0.869225 O\n0.708664 0.423755 0.870745 O\n0.660879 0.925801 0.867522 O\n0.163274 0.424105 0.869749 O\n0.965138 0.199561 0.382266 O\n0.461922 0.698401 0.380888 O\n0.420643 0.199824 0.838774 O\n0.916298 0.700652 0.836171 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 5.879240768793934,
"density_atomic": 0.10194802591586674,
"volume": 274.64975165980337,
"volume_molar": 5.907069514979928,
"formula_full": "Co10 Cu2 O16",
"formula_reduced": "Co5CuO8",
"formula_anonymous": "AB5C8",
"energy": -193.88201317,
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"updated_at": "2021-11-28T01:34:31.156000Z",
"spacegroup": 166
},
{
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