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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=139",
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"results": [
{
"id": "mp-849337",
"created_at": "2022-09-04T14:44:30.367787Z",
"structure_string": "Na1 Li3 Ti2 Fe2 P6 O24\n1.0\n7.895100 -4.237351 0.000000\n7.895100 4.237351 0.000000\n5.620886 0.000000 6.978064\nNa Li Ti Fe P O\n1 3 2 2 6 24\ndirect\n0.495506 0.495506 0.495506 Na\n0.261489 0.922424 0.674611 Li\n0.674611 0.261489 0.922424 Li\n0.922424 0.674611 0.261489 Li\n0.853260 0.853260 0.853260 Ti\n0.142635 0.142635 0.142635 Ti\n0.353937 0.353937 0.353937 Fe\n0.652462 0.652462 0.652462 Fe\n0.248756 0.535888 0.967958 P\n0.042774 0.749671 0.460061 P\n0.460061 0.042774 0.749671 P\n0.535888 0.967958 0.248756 P\n0.967958 0.248756 0.535888 P\n0.749671 0.460061 0.042774 P\n0.469689 0.863088 0.752780 O\n0.752780 0.469689 0.863088 O\n0.194985 0.381751 0.000983 O\n0.115269 0.740488 0.877543 O\n0.266824 0.110190 0.900777 O\n0.863088 0.752780 0.469689 O\n0.993638 0.805126 0.622895 O\n0.458695 0.507997 0.823047 O\n0.201398 0.550927 0.479991 O\n0.622895 0.993638 0.805126 O\n0.110190 0.900777 0.266824 O\n0.479991 0.201398 0.550927 O\n0.507997 0.823047 0.458695 O\n0.877543 0.115269 0.740488 O\n0.381751 0.000983 0.194985 O\n0.823047 0.458695 0.507997 O\n0.550927 0.479991 0.201398 O\n0.000983 0.194985 0.381751 O\n0.162456 0.213358 0.528059 O\n0.740488 0.877543 0.115269 O\n0.900777 0.266824 0.110190 O\n0.805126 0.622895 0.993638 O\n0.213358 0.528059 0.162456 O\n0.528059 0.162456 0.213358 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
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"Li",
"Ti",
"Fe",
"P",
"O"
],
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"density": 2.9201797611647256,
"density_atomic": 0.08138916206873556,
"volume": 466.8926308383403,
"volume_molar": 7.3991924808294804,
"formula_full": "Na1 Li3 Ti2 Fe2 P6 O24",
"formula_reduced": "NaLi3Ti2Fe2(PO4)6",
"formula_anonymous": "AB2C2D3E6F24",
"energy": -295.11910956,
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"energy_uncorrected": -274.11910956,
"band_gap": 2.4483,
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"updated_at": "2021-11-28T01:36:44.307000Z",
"spacegroup": 146
},
{
"id": "mp-1176405",
"created_at": "2022-09-04T14:44:27.863334Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n8.337791 0.000000 0.000000\n1.823439 8.170734 0.000000\n0.149100 0.008184 8.957957\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.747061 0.508913 0.918576 Na\n0.250055 0.015372 0.918954 Na\n0.882207 0.136429 0.731935 Na\n0.612373 0.867557 0.731681 Na\n0.618386 0.368128 0.263965 Na\n0.119556 0.869952 0.263233 Na\n0.245168 0.486365 0.070978 Na\n0.749161 0.982090 0.089518 Na\n0.993999 0.755905 0.654463 Fe\n0.472162 0.277696 0.657821 Fe\n0.024977 0.241104 0.344032 Fe\n0.521418 0.737577 0.344533 Fe\n0.769171 0.478993 0.575924 P\n0.270472 0.980305 0.575714 P\n0.731334 0.022483 0.426890 P\n0.231363 0.522575 0.421284 P\n0.517791 0.235399 0.937109 C\n0.007435 0.745824 0.935310 C\n0.983670 0.253414 0.065178 C\n0.489297 0.759136 0.064918 C\n0.966743 0.263639 0.924631 O\n0.481804 0.779206 0.924332 O\n0.400465 0.344073 0.874956 O\n0.890879 0.855227 0.870305 O\n0.611645 0.133812 0.843575 O\n0.101366 0.643247 0.844397 O\n0.827138 0.610432 0.670912 O\n0.342971 0.097715 0.675084 O\n0.653825 0.406491 0.682239 O\n0.140982 0.922008 0.677818 O\n0.305527 0.443358 0.566670 O\n0.811258 0.939574 0.571419 O\n0.915383 0.336713 0.530356 O\n0.413071 0.834290 0.530892 O\n0.593319 0.171179 0.474147 O\n0.090806 0.673427 0.462025 O\n0.189215 0.059804 0.432114 O\n0.682709 0.553862 0.432981 O\n0.858997 0.083294 0.325273 O\n0.165149 0.401915 0.320815 O\n0.359361 0.583098 0.319800 O\n0.663881 0.900601 0.329041 O\n0.890103 0.354535 0.158183 O\n0.389826 0.854414 0.158165 O\n0.600762 0.643961 0.127426 O\n0.099367 0.142548 0.127851 O\n0.538284 0.228965 0.076981 O\n0.025647 0.740931 0.075599 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.795060266431695,
"density_atomic": 0.07865388649860043,
"volume": 610.2686356236715,
"volume_molar": 7.656507552372708,
"formula_full": "Na8 Fe4 P4 C4 O28",
"formula_reduced": "Na2FePCO7",
"formula_anonymous": "ABCD2E7",
"energy": -349.20881775,
"energy_per_atom": -7.275183703124999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -320.94881775,
"band_gap": 0.3952,
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"is_magnetic": true,
"total_magnetization": 20.0050713,
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"updated_at": "2021-11-28T01:36:36.817000Z",
"spacegroup": 1
},
{
"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": [
"Li",
"Ti",
"Co",
"W",
"O"
],
"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,
"energy_per_atom": -8.055241111785714,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -200.76475113,
"band_gap": 0.0398000000000005,
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"is_magnetic": true,
"total_magnetization": 8.9998789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.574000Z",
"spacegroup": 8
},
{
"id": "mp-865511",
"created_at": "2022-09-04T14:44:27.495489Z",
"structure_string": "V4 Cl16\n1.0\n6.382205 0.000000 0.000000\n0.000000 9.487430 0.000000\n0.000000 5.333307 10.412775\nV Cl\n4 16\ndirect\n0.161329 0.196071 0.615526 V\n0.161329 0.803929 0.884474 V\n0.838671 0.803929 0.384474 V\n0.838671 0.196071 0.115526 V\n0.258750 0.948953 0.646500 Cl\n0.258750 0.051047 0.853500 Cl\n0.741250 0.948953 0.146500 Cl\n0.741250 0.051047 0.353500 Cl\n0.827842 0.196635 0.626030 Cl\n0.827842 0.803365 0.873970 Cl\n0.172158 0.803365 0.373970 Cl\n0.172158 0.196635 0.126030 Cl\n0.222827 0.296655 0.409949 Cl\n0.222827 0.703345 0.090051 Cl\n0.777173 0.703345 0.590051 Cl\n0.777173 0.296655 0.909949 Cl\n0.287868 0.396767 0.636702 Cl\n0.287868 0.603233 0.863298 Cl\n0.712132 0.603233 0.363298 Cl\n0.712132 0.396767 0.136702 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"Cl"
],
"chemical_system": "Cl-V",
"density": 2.0306054280272625,
"density_atomic": 0.03172080330532562,
"volume": 630.5010565934247,
"volume_molar": 18.984830560671647,
"formula_full": "V4 Cl16",
"formula_reduced": "VCl4",
"formula_anonymous": "AB4",
"energy": -97.58168091,
"energy_per_atom": -4.8790840455,
"energy_above_hull": null,
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"energy_uncorrected": -87.75768091,
"band_gap": 0.1207999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.998241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.745000Z",
"spacegroup": 13
},
{
"id": "mp-543090",
"created_at": "2022-09-04T14:44:49.914182Z",
"structure_string": "Li34 Co6 O24\n1.0\n6.568367 0.000000 0.000000\n0.000000 8.056249 0.000000\n0.000000 0.057241 11.430816\nLi Co O\n34 6 24\ndirect\n0.037531 0.552542 0.095082 Li\n0.035093 0.890663 0.427189 Li\n0.036625 0.225894 0.761228 Li\n0.030788 0.940541 0.908547 Li\n0.029725 0.598791 0.563940 Li\n0.249562 0.767807 0.022647 Li\n0.270948 0.620276 0.843711 Li\n0.225450 0.114985 0.345897 Li\n0.244040 0.439786 0.684154 Li\n0.247305 0.933688 0.187425 Li\n0.250570 0.266054 0.522690 Li\n0.474563 0.555510 0.098867 Li\n0.464466 0.904075 0.424778 Li\n0.467583 0.237689 0.760766 Li\n0.471239 0.920586 0.896034 Li\n0.460239 0.273687 0.242329 Li\n0.474020 0.619607 0.587309 Li\n0.537531 0.447458 0.904918 Li\n0.530788 0.059459 0.091453 Li\n0.536625 0.774106 0.238772 Li\n0.529725 0.401209 0.436060 Li\n0.535093 0.109337 0.572811 Li\n0.749562 0.232193 0.977353 Li\n0.725450 0.885015 0.654103 Li\n0.744040 0.560214 0.315846 Li\n0.770948 0.379724 0.156289 Li\n0.750570 0.733946 0.477310 Li\n0.747305 0.066312 0.812575 Li\n0.971239 0.079414 0.103966 Li\n0.974563 0.444490 0.901133 Li\n0.967583 0.762311 0.239234 Li\n0.974020 0.380393 0.412691 Li\n0.964466 0.095925 0.575222 Li\n0.960239 0.726313 0.757671 Li\n0.252559 0.251934 0.998011 Co\n0.253822 0.581546 0.335268 Co\n0.254287 0.912853 0.668520 Co\n0.752559 0.748066 0.001989 Co\n0.754287 0.087147 0.331480 Co\n0.753822 0.418454 0.664732 Co\n0.014840 0.684910 0.930493 O\n0.002788 0.997008 0.267234 O\n0.010010 0.340854 0.597058 O\n0.254419 0.362177 0.842345 O\n0.251633 0.007752 0.018951 O\n0.251684 0.685616 0.179691 O\n0.246250 0.022158 0.510093 O\n0.262881 0.346924 0.363003 O\n0.229667 0.675399 0.677655 O\n0.488680 0.679452 0.946326 O\n0.485739 0.016150 0.263578 O\n0.486757 0.352124 0.602343 O\n0.502788 0.002992 0.732766 O\n0.514840 0.315090 0.069507 O\n0.510010 0.659146 0.402942 O\n0.751633 0.992248 0.981049 O\n0.762881 0.653076 0.636997 O\n0.729667 0.324601 0.322345 O\n0.754419 0.637823 0.157655 O\n0.746250 0.977842 0.489907 O\n0.751684 0.314384 0.820309 O\n0.988680 0.320548 0.053674 O\n0.985739 0.983850 0.736422 O\n0.986757 0.647876 0.397657 O\n",
"nsites": 64,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 2.6727150993011244,
"density_atomic": 0.10580652440434624,
"volume": 604.8776326440892,
"volume_molar": 5.691653509934807,
"formula_full": "Li34 Co6 O24",
"formula_reduced": "Li17(CoO4)3",
"formula_anonymous": "A3B12C17",
"energy": -349.243705,
"energy_per_atom": -5.456932890625,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:40.845000Z",
"spacegroup": 4
},
{
"id": "mp-726396",
"created_at": "2022-09-04T14:44:49.821488Z",
"structure_string": "Sb2 N4 Cl10\n1.0\n3.797673 6.462881 0.000000\n-3.797673 6.462881 0.000000\n0.000000 3.268389 11.630918\nSb N Cl\n2 4 10\ndirect\n0.129317 0.129317 0.748383 Sb\n0.870683 0.870683 0.251617 Sb\n0.796577 0.796577 0.623277 N\n0.203423 0.203423 0.376723 N\n0.397309 0.397309 0.886521 N\n0.602691 0.602691 0.113479 N\n0.932160 0.362734 0.882797 Cl\n0.362734 0.932160 0.882797 Cl\n0.067840 0.637266 0.117203 Cl\n0.637266 0.067840 0.117203 Cl\n0.822731 0.252319 0.668996 Cl\n0.252319 0.822731 0.668996 Cl\n0.177269 0.747681 0.331004 Cl\n0.747681 0.177269 0.331004 Cl\n0.298786 0.298786 0.617598 Cl\n0.701214 0.701214 0.382402 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sb",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sb",
"density": 1.9023487029607504,
"density_atomic": 0.028024138248700065,
"volume": 570.9363784180654,
"volume_molar": 21.489120223988852,
"formula_full": "Sb2 N4 Cl10",
"formula_reduced": "SbN2Cl5",
"formula_anonymous": "AB2C5",
"energy": -53.0717149,
"energy_per_atom": -3.31698218125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:41.356000Z",
"spacegroup": 12
},
{
"id": "mp-1245537",
"created_at": "2022-09-04T14:44:30.286302Z",
"structure_string": "Mn4 Zn4 N8\n1.0\n5.440283 0.000000 0.000000\n0.000000 6.268709 0.000000\n0.000000 0.000000 5.223426\nMn Zn N\n4 4 8\ndirect\n0.572143 0.874314 0.005582 Mn\n0.427857 0.125686 0.505582 Mn\n0.927857 0.374314 0.505582 Mn\n0.072143 0.625686 0.005582 Mn\n0.587458 0.380215 0.010193 Zn\n0.412542 0.619785 0.510193 Zn\n0.912542 0.880215 0.510193 Zn\n0.087458 0.119785 0.010193 Zn\n0.608325 0.355387 0.401404 N\n0.391675 0.644613 0.901404 N\n0.891675 0.855387 0.901404 N\n0.108325 0.144613 0.401404 N\n0.563276 0.892102 0.352821 N\n0.436724 0.107898 0.852821 N\n0.936724 0.392102 0.852821 N\n0.063276 0.607898 0.352821 N\n",
"nsites": 16,
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"elements": [
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"Zn",
"N"
],
"chemical_system": "Mn-N-Zn",
"density": 5.531872575237665,
"density_atomic": 0.08981832138877023,
"volume": 178.13737500999926,
"volume_molar": 6.7048021682945125,
"formula_full": "Mn4 Zn4 N8",
"formula_reduced": "MnZnN2",
"formula_anonymous": "ABC2",
"energy": -112.03295042,
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"updated_at": "2021-11-28T01:36:43.784000Z",
"spacegroup": 33
},
{
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