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{
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"results": [
{
"id": "mp-1245714",
"created_at": "2022-09-04T14:48:06.263836Z",
"structure_string": "Sr16 C8 N20\n1.0\n13.028210 0.000000 -0.309609\n0.000000 7.100832 0.000000\n-1.203652 0.000000 7.173408\nSr C N\n16 8 20\ndirect\n0.039355 0.769909 0.007477 Sr\n0.960645 0.269909 0.492523 Sr\n0.960645 0.230091 0.992523 Sr\n0.039355 0.730091 0.507477 Sr\n0.171819 0.094166 0.767985 Sr\n0.828181 0.594166 0.732015 Sr\n0.828181 0.905834 0.232015 Sr\n0.171819 0.405834 0.267985 Sr\n0.389148 0.159111 0.529286 Sr\n0.610852 0.659111 0.970714 Sr\n0.610852 0.840889 0.470714 Sr\n0.389148 0.340889 0.029286 Sr\n0.677925 0.176684 0.849617 Sr\n0.322075 0.676685 0.650383 Sr\n0.322075 0.823315 0.150383 Sr\n0.677925 0.323315 0.349617 Sr\n0.136296 0.492139 0.781804 C\n0.863704 0.992139 0.718196 C\n0.863704 0.507861 0.218196 C\n0.136296 0.007861 0.281804 C\n0.534804 0.481610 0.616341 C\n0.465196 0.981610 0.883659 C\n0.465196 0.518390 0.383659 C\n0.534804 0.018390 0.116341 C\n0.794032 0.085442 0.576808 N\n0.205968 0.585442 0.923192 N\n0.205968 0.914558 0.423192 N\n0.794032 0.414558 0.076808 N\n0.030226 0.477369 0.787057 N\n0.969774 0.977369 0.712943 N\n0.969774 0.522631 0.212943 N\n0.030226 0.022631 0.287057 N\n0.170497 0.420614 0.623420 N\n0.829503 0.920614 0.876580 N\n0.829503 0.579386 0.376580 N\n0.170497 0.079386 0.123420 N\n0.638350 0.509465 0.642785 N\n0.361650 0.009465 0.857215 N\n0.361650 0.490535 0.357215 N\n0.638350 0.990535 0.142785 N\n0.478995 0.432228 0.746129 N\n0.521005 0.932228 0.753871 N\n0.521005 0.567772 0.253871 N\n0.478995 0.067772 0.246129 N\n",
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"spacegroup": 14
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{
"id": "mp-557398",
"created_at": "2022-09-04T14:48:06.268931Z",
"structure_string": "Ca8 Fe8 Sb8 As16 O56\n1.0\n-8.224191 8.224191 5.458909\n8.224191 -8.224191 5.458909\n8.224191 8.224191 -5.458909\nCa Fe Sb As O\n8 8 8 16 56\ndirect\n0.798235 0.458319 0.960639 Ca\n0.708319 0.247680 0.160084 Ca\n0.162404 0.201765 0.660084 Ca\n0.541681 0.502320 0.339916 Ca\n0.451765 0.291681 0.539361 Ca\n0.752320 0.912404 0.460639 Ca\n0.087596 0.548235 0.839916 Ca\n0.497680 0.837596 0.039361 Ca\n0.359717 0.105076 0.728382 Fe\n0.376694 0.631335 0.271618 Fe\n0.368665 0.640283 0.745359 Fe\n0.355076 0.126694 0.245359 Fe\n0.881335 0.109717 0.754641 Fe\n0.890283 0.644924 0.771618 Fe\n0.894924 0.623306 0.254641 Fe\n0.873306 0.118665 0.228382 Fe\n0.935123 0.786234 0.500992 Sb\n0.285242 0.434132 0.499008 Sb\n0.314877 0.963766 0.999008 Sb\n0.565868 0.064877 0.851110 Sb\n0.964758 0.315868 0.000992 Sb\n0.684132 0.685123 0.648890 Sb\n0.213766 0.714758 0.148890 Sb\n0.036234 0.035242 0.351110 Sb\n0.269816 0.936193 0.431023 As\n0.526910 0.358549 0.038827 As\n0.930278 0.261917 0.538827 As\n0.088793 0.019816 0.833623 As\n0.738083 0.276910 0.668361 As\n0.505170 0.838793 0.568977 As\n0.063807 0.494830 0.333623 As\n0.511917 0.473090 0.831639 As\n0.186193 0.255170 0.166377 As\n0.744830 0.911207 0.931023 As\n0.723090 0.391451 0.461173 As\n0.608549 0.069722 0.331639 As\n0.980184 0.813807 0.068977 As\n0.319722 0.488083 0.961173 As\n0.641451 0.680278 0.168361 As\n0.161207 0.730184 0.666377 As\n0.582790 0.702447 0.277845 O\n0.730164 0.094008 0.456420 O\n0.297757 0.451615 0.661057 O\n0.755965 0.986397 0.069929 O\n0.701615 0.540558 0.653858 O\n0.363300 0.702243 0.153858 O\n0.072975 0.813487 0.392643 O\n0.333532 0.063964 0.569929 O\n0.741300 0.726857 0.515790 O\n0.936036 0.505965 0.269568 O\n0.273143 0.788933 0.014443 O\n0.013603 0.083532 0.769568 O\n0.519836 0.655992 0.043580 O\n0.886700 0.047757 0.346142 O\n0.554946 0.332790 0.380343 O\n0.696269 0.934512 0.634455 O\n0.612412 0.476256 0.956420 O\n0.829156 0.069668 0.892643 O\n0.695054 0.417210 0.119657 O\n0.667210 0.047553 0.222155 O\n0.186513 0.579156 0.259488 O\n0.637588 0.273744 0.543580 O\n0.494035 0.763603 0.430071 O\n0.825398 0.445054 0.777845 O\n0.949943 0.688186 0.134455 O\n0.976857 0.961067 0.485557 O\n0.211067 0.225510 0.484210 O\n0.184512 0.050057 0.738243 O\n0.774490 0.258700 0.985557 O\n0.523744 0.480164 0.136155 O\n0.508700 0.023143 0.984210 O\n0.063487 0.170844 0.240512 O\n0.065488 0.699943 0.761757 O\n0.344008 0.387588 0.863845 O\n0.236397 0.666468 0.730432 O\n0.319668 0.927025 0.740512 O\n0.952243 0.298385 0.838943 O\n0.938186 0.303731 0.238243 O\n0.311814 0.446269 0.261757 O\n0.459442 0.113300 0.161057 O\n0.177025 0.936513 0.107357 O\n0.790558 0.636700 0.338943 O\n0.475510 0.491300 0.514443 O\n0.930332 0.822975 0.759488 O\n0.553731 0.815488 0.865545 O\n0.424602 0.304946 0.722155 O\n0.300057 0.061814 0.365545 O\n0.905992 0.362412 0.636155 O\n0.916468 0.686036 0.930071 O\n0.420844 0.680332 0.607357 O\n0.952447 0.174602 0.619657 O\n0.297553 0.575398 0.880343 O\n0.548385 0.209442 0.846142 O\n0.726256 0.269836 0.363845 O\n0.038933 0.524490 0.015790 O\n0.313964 0.244035 0.230432 O\n",
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"As",
"O"
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"chemical_system": "As-Ca-Fe-O-Sb",
"density": 4.313158318539214,
"density_atomic": 0.06500084631791894,
"volume": 1476.903847227839,
"volume_molar": 9.26471130936623,
"formula_full": "Ca8 Fe8 Sb8 As16 O56",
"formula_reduced": "CaFeSbAs2O7",
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"energy": -648.3357096,
"energy_per_atom": -6.753496975,
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"total_magnetization": 8.0023139,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.270000Z",
"spacegroup": 88
},
{
"id": "mp-560242",
"created_at": "2022-09-04T14:48:06.310360Z",
"structure_string": "Na4 Mn4 F12\n1.0\n5.619331 0.000000 0.000000\n0.000000 5.838772 0.000000\n0.000000 0.000000 8.123767\nNa Mn F\n4 4 12\ndirect\n0.484419 0.943131 0.250000 Na\n0.984419 0.556869 0.750000 Na\n0.015581 0.443131 0.250000 Na\n0.515581 0.056869 0.750000 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.618838 0.553684 0.250000 F\n0.118838 0.946316 0.750000 F\n0.881162 0.053684 0.250000 F\n0.381162 0.446316 0.750000 F\n0.808382 0.304145 0.937111 F\n0.308382 0.195855 0.062889 F\n0.691618 0.804145 0.562889 F\n0.191618 0.695855 0.437111 F\n0.808382 0.304145 0.562889 F\n0.308382 0.195855 0.437111 F\n0.691618 0.804145 0.937111 F\n0.191618 0.695855 0.062889 F\n",
"nsites": 20,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Mn-Na",
"density": 3.3622620974521995,
"density_atomic": 0.07503543519701933,
"volume": 266.5407343541931,
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"formula_full": "Na4 Mn4 F12",
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"spacegroup": 62
},
{
"id": "mp-21113",
"created_at": "2022-09-04T14:48:15.005488Z",
"structure_string": "Y1 Fe2 Ge2\n1.0\n-1.991334 1.991334 5.094202\n1.991334 -1.991334 5.094202\n1.991334 1.991334 -5.094202\nY Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.628043 0.628043 0.000000 Ge\n0.371957 0.371957 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Fe-Ge-Y",
"density": 7.107959844950806,
"density_atomic": 0.061879334329809486,
"volume": 80.80242061672149,
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"formula_full": "Y1 Fe2 Ge2",
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"formula_anonymous": "AB2C2",
"energy": -34.95128923,
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{
"id": "mp-1041240",
"created_at": "2022-09-04T14:48:06.244911Z",
"structure_string": "Sb6 P6 O26\n1.0\n6.719355 0.000000 0.000000\n0.000000 7.825800 0.000000\n0.000000 0.638882 11.389900\nSb P O\n6 6 26\ndirect\n0.250000 0.651039 0.201070 Sb\n0.750000 0.348961 0.798930 Sb\n0.250000 0.250844 0.469005 Sb\n0.500000 0.000000 0.000000 Sb\n0.750000 0.749156 0.530995 Sb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.819704 0.472191 P\n0.750000 0.180296 0.527809 P\n0.250000 0.245153 0.771385 P\n0.750000 0.754847 0.228615 P\n0.750000 0.668369 0.881467 P\n0.250000 0.331631 0.118533 P\n0.750000 0.605047 0.749115 O\n0.566317 0.219874 0.452859 O\n0.250000 0.169135 0.649697 O\n0.558242 0.765295 0.905445 O\n0.750000 0.311066 0.629834 O\n0.750000 0.127872 0.887110 O\n0.250000 0.688934 0.370166 O\n0.058242 0.234705 0.094555 O\n0.250000 0.004754 0.412620 O\n0.750000 0.995246 0.587380 O\n0.061779 0.356688 0.791005 O\n0.250000 0.872128 0.112890 O\n0.561779 0.643312 0.208995 O\n0.750000 0.481696 0.945634 O\n0.750000 0.830865 0.350303 O\n0.441758 0.234705 0.094555 O\n0.933683 0.219874 0.452859 O\n0.433683 0.780126 0.547141 O\n0.438221 0.356688 0.791005 O\n0.250000 0.394953 0.250885 O\n0.750000 0.909758 0.133747 O\n0.250000 0.090242 0.866253 O\n0.938221 0.643312 0.208995 O\n0.941758 0.765295 0.905445 O\n0.066317 0.780126 0.547141 O\n0.250000 0.518304 0.054366 O\n",
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"formula_full": "Sb6 P6 O26",
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"energy": -270.64992522,
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"spacegroup": 11
},
{
"id": "mp-760787",
"created_at": "2022-09-04T14:48:06.246672Z",
"structure_string": "Li10 Mn2 V3 Cr3 O16\n1.0\n6.005165 0.000000 0.000000\n-2.984092 5.262095 0.000000\n-0.036260 -0.099854 9.986518\nLi Mn V Cr O\n10 2 3 3 16\ndirect\n0.985194 0.973352 0.514356 Li\n0.977401 0.985080 0.014551 Li\n0.649809 0.319245 0.225190 Li\n0.803726 0.189784 0.436401 Li\n0.786430 0.587676 0.440445 Li\n0.378280 0.191139 0.436836 Li\n0.319247 0.647014 0.724572 Li\n0.581826 0.780495 0.943078 Li\n0.182887 0.797388 0.937204 Li\n0.187492 0.375593 0.936247 Li\n0.655853 0.323495 0.976039 Mn\n0.322530 0.658799 0.474309 Mn\n0.820185 0.150063 0.713759 V\n0.325767 0.151182 0.712352 V\n0.152798 0.325421 0.213194 V\n0.820693 0.647741 0.714588 Cr\n0.648824 0.821663 0.214678 Cr\n0.151645 0.821889 0.213509 Cr\n0.823901 0.672128 0.099113 O\n0.976771 0.475882 0.828276 O\n0.823682 0.146814 0.102267 O\n0.652379 0.322829 0.595750 O\n0.497140 0.482916 0.829600 O\n0.297640 0.146198 0.099025 O\n0.496975 0.997567 0.828772 O\n0.670328 0.823967 0.601102 O\n0.479351 0.978112 0.329836 O\n0.480257 0.496206 0.327053 O\n0.320952 0.663267 0.097128 O\n0.142468 0.814670 0.600528 O\n0.999079 0.497473 0.326813 O\n0.141097 0.293438 0.596074 O\n0.982056 0.983331 0.327288 O\n0.994855 0.980310 0.827495 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
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"V",
"Cr",
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],
"chemical_system": "Cr-Li-Mn-O-V",
"density": 3.9154026712505656,
"density_atomic": 0.10774104877937135,
"volume": 315.5714593944979,
"volume_molar": 5.589458083271443,
"formula_full": "Li10 Mn2 V3 Cr3 O16",
"formula_reduced": "Li10Mn2V3Cr3O16",
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"energy": -249.99796356,
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"updated_at": "2021-11-28T01:38:26.178000Z",
"spacegroup": 1
},
{
"id": "mp-768991",
"created_at": "2022-09-04T14:48:06.266109Z",
"structure_string": "Li8 Bi4 C8 S2 O32\n1.0\n0.000000 6.962180 7.584835\n6.599187 0.000000 7.584835\n6.599187 6.962180 0.000000\nLi Bi C S O\n8 4 8 2 32\ndirect\n0.939937 0.560063 0.939937 Li\n0.947855 0.552145 0.552145 Li\n0.697855 0.302145 0.302145 Li\n0.689937 0.310063 0.689937 Li\n0.560063 0.939937 0.560063 Li\n0.552145 0.947855 0.947855 Li\n0.302145 0.697855 0.697855 Li\n0.310063 0.689937 0.310063 Li\n0.125000 0.625000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.125000 Bi\n0.125000 0.125000 0.625000 Bi\n0.874681 0.305879 0.916986 C\n0.944121 0.375319 0.347545 C\n0.916986 0.902455 0.874681 C\n0.902455 0.916986 0.305879 C\n0.347545 0.333014 0.944121 C\n0.333014 0.347545 0.375319 C\n0.305879 0.874681 0.902455 C\n0.375319 0.944121 0.333014 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.998644 0.312548 0.914529 O\n0.557066 0.550380 0.315344 O\n0.756334 0.293327 0.053328 O\n0.956673 0.493666 0.352990 O\n0.053328 0.897010 0.756334 O\n0.942807 0.375486 0.212155 O\n0.315344 0.577209 0.557066 O\n0.550380 0.557066 0.577209 O\n0.469551 0.212155 0.375486 O\n0.897010 0.053328 0.293327 O\n0.937452 0.251356 0.475721 O\n0.577209 0.315344 0.550380 O\n0.914529 0.774279 0.998644 O\n0.774279 0.914529 0.312548 O\n0.874514 0.307193 0.780449 O\n0.212155 0.469551 0.942807 O\n0.037845 0.780449 0.307193 O\n0.375486 0.942807 0.469551 O\n0.475721 0.335471 0.937452 O\n0.335471 0.475721 0.251356 O\n0.672791 0.934656 0.699620 O\n0.312548 0.998644 0.774279 O\n0.352990 0.196672 0.956673 O\n0.780449 0.037845 0.874514 O\n0.699620 0.692934 0.672791 O\n0.934656 0.672791 0.692934 O\n0.307193 0.874514 0.037845 O\n0.196672 0.352990 0.493666 O\n0.293327 0.756334 0.897010 O\n0.493666 0.956673 0.196672 O\n0.692934 0.699620 0.934656 O\n0.251356 0.937452 0.335471 O\n",
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],
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"volume": 696.9663581718455,
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"formula_full": "Li8 Bi4 C8 S2 O32",
"formula_reduced": "Li4Bi2C4SO16",
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