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{
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"results": [
{
"id": "mp-1205218",
"created_at": "2022-09-04T14:40:35.885533Z",
"structure_string": "Na4 Mo4 C8 N4 O36\n1.0\n15.347983 0.000000 0.000000\n0.000000 6.761008 0.000000\n0.000000 0.151471 10.156500\nNa Mo C N O\n4 4 8 4 36\ndirect\n0.890435 0.479019 0.106353 Na\n0.390435 0.020981 0.893647 Na\n0.109565 0.520981 0.893647 Na\n0.609565 0.979019 0.106353 Na\n0.768702 0.941902 0.425000 Mo\n0.268702 0.558098 0.575000 Mo\n0.231298 0.058098 0.575000 Mo\n0.731298 0.441902 0.425000 Mo\n0.577267 0.991762 0.714970 C\n0.077267 0.508238 0.285030 C\n0.422733 0.008238 0.285030 C\n0.922733 0.491762 0.714970 C\n0.795811 0.944690 0.859397 C\n0.295811 0.555310 0.140603 C\n0.204189 0.055310 0.140603 C\n0.704189 0.444690 0.859397 C\n0.521087 0.699812 0.370259 N\n0.021087 0.800188 0.629741 N\n0.478913 0.300188 0.629741 N\n0.978913 0.199812 0.370259 N\n0.597967 0.954766 0.607253 O\n0.097967 0.545234 0.392747 O\n0.402033 0.045234 0.392747 O\n0.902033 0.454766 0.607253 O\n0.558051 0.025269 0.824930 O\n0.058051 0.474731 0.175070 O\n0.441949 0.974731 0.175070 O\n0.941949 0.525269 0.824930 O\n0.752539 0.978635 0.952425 O\n0.252539 0.521365 0.047575 O\n0.247461 0.021365 0.047575 O\n0.747461 0.478635 0.952425 O\n0.836414 0.911012 0.764713 O\n0.336414 0.588988 0.235287 O\n0.163586 0.088988 0.235287 O\n0.663586 0.411012 0.764713 O\n0.877071 0.917039 0.379620 O\n0.377071 0.582961 0.620380 O\n0.122929 0.082961 0.620380 O\n0.622929 0.417039 0.379620 O\n0.699205 0.967540 0.286046 O\n0.199205 0.532460 0.713954 O\n0.300795 0.032460 0.713954 O\n0.800795 0.467540 0.286046 O\n0.759002 0.193368 0.514738 O\n0.259002 0.306632 0.485262 O\n0.240998 0.806632 0.485262 O\n0.740998 0.693368 0.514738 O\n0.542615 0.309711 0.040230 O\n0.042615 0.190289 0.959770 O\n0.457385 0.690289 0.959770 O\n0.957385 0.809711 0.040230 O\n0.536376 0.696991 0.002154 O\n0.036376 0.803009 0.997846 O\n0.463624 0.303009 0.997846 O\n0.963624 0.196991 0.002154 O\n",
"nsites": 56,
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"elements": [
"Na",
"Mo",
"C",
"N",
"O"
],
"chemical_system": "C-Mo-N-Na-O",
"density": 1.8967066533817896,
"density_atomic": 0.05313506238946825,
"volume": 1053.9180247786742,
"volume_molar": 11.3336476691399,
"formula_full": "Na4 Mo4 C8 N4 O36",
"formula_reduced": "NaMoC2NO9",
"formula_anonymous": "ABCD2E9",
"energy": -377.47429796,
"energy_per_atom": -6.740612463571429,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 19.758192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.666000Z",
"spacegroup": 14
},
{
"id": "mp-1183659",
"created_at": "2022-09-04T14:40:35.889924Z",
"structure_string": "Cd2 As6\n1.0\n3.076248 -5.328217 0.000000\n3.076248 5.328217 0.000000\n0.000000 0.000000 4.995624\nCd As\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.165923 0.331846 0.250000 As\n0.668154 0.834077 0.250000 As\n0.165923 0.834077 0.250000 As\n0.834077 0.668154 0.750000 As\n0.331846 0.165923 0.750000 As\n0.834077 0.165923 0.750000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"As"
],
"chemical_system": "As-Cd",
"density": 6.8377387316126725,
"density_atomic": 0.04885027352034821,
"volume": 163.76571559354036,
"volume_molar": 12.327752387080338,
"formula_full": "Cd2 As6",
"formula_reduced": "CdAs3",
"formula_anonymous": "AB3",
"energy": -26.77917209,
"energy_per_atom": -3.34739651125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -26.77917209,
"band_gap": 0.0,
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"total_magnetization": 0.0005474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.493000Z",
"spacegroup": 194
},
{
"id": "mp-1027975",
"created_at": "2022-09-04T14:40:35.891656Z",
"structure_string": "Mg14 V1 Zn1\n1.0\n6.295403 0.000000 -0.000000\n-3.147701 5.451978 0.000000\n-0.000000 0.000000 10.089604\nMg V Zn\n14 1 1\ndirect\n0.165489 0.832744 0.125000 Mg\n0.168718 0.834358 0.625000 Mg\n0.667256 0.334511 0.125000 Mg\n0.665642 0.331282 0.625000 Mg\n0.667256 0.832744 0.125000 Mg\n0.665642 0.834358 0.625000 Mg\n0.329465 0.170535 0.375334 Mg\n0.329465 0.170535 0.874666 Mg\n0.329465 0.658931 0.375334 Mg\n0.329465 0.658931 0.874666 Mg\n0.841069 0.170535 0.375334 Mg\n0.841069 0.170535 0.874666 Mg\n0.833333 0.666667 0.374670 Mg\n0.833333 0.666667 0.875330 Mg\n0.166667 0.333333 0.625000 V\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"Zn"
],
"chemical_system": "Mg-V-Zn",
"density": 2.189539327113611,
"density_atomic": 0.04620279302218118,
"volume": 346.29941078061387,
"volume_molar": 13.034148730161991,
"formula_full": "Mg14 V1 Zn1",
"formula_reduced": "Mg14VZn",
"formula_anonymous": "ABC14",
"energy": -31.60721354,
"energy_per_atom": -1.97545084625,
"energy_above_hull": null,
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"energy_uncorrected": -31.60721354,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.1073761,
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"updated_at": "2021-11-28T01:35:06.610000Z",
"spacegroup": 187
},
{
"id": "mp-1099672",
"created_at": "2022-09-04T14:40:34.745003Z",
"structure_string": "Sr20 Ca12 Mn28 Fe4 O80\n1.0\n-0.006785 -0.015914 11.015761\n11.118146 0.005614 -0.007113\n-5.547435 15.972021 -5.526044\nSr Ca Mn Fe O\n20 12 28 4 80\ndirect\n0.307932 0.057470 0.608104 Sr\n0.307782 0.558845 0.608666 Sr\n0.807918 0.058939 0.608860 Sr\n0.808956 0.558599 0.610361 Sr\n0.196924 0.439394 0.387797 Sr\n0.199656 0.442038 0.892632 Sr\n0.697613 0.440281 0.388575 Sr\n0.697664 0.940580 0.387821 Sr\n0.700563 0.940798 0.893330 Sr\n0.058872 0.299963 0.609154 Sr\n0.059263 0.801117 0.609647 Sr\n0.559097 0.301660 0.610206 Sr\n0.558669 0.800510 0.609551 Sr\n0.447527 0.198307 0.388075 Sr\n0.450286 0.202545 0.892534 Sr\n0.447338 0.698660 0.388139 Sr\n0.449227 0.701393 0.893070 Sr\n0.947482 0.196930 0.387382 Sr\n0.949947 0.200866 0.892545 Sr\n0.948210 0.699356 0.387832 Sr\n0.304936 0.063762 0.105736 Ca\n0.306227 0.563738 0.105773 Ca\n0.804812 0.062468 0.104967 Ca\n0.804742 0.562305 0.105120 Ca\n0.200526 0.938861 0.392910 Ca\n0.201119 0.939465 0.896953 Ca\n0.702796 0.440501 0.896853 Ca\n0.056422 0.292078 0.106312 Ca\n0.056295 0.793037 0.106452 Ca\n0.555414 0.293281 0.106097 Ca\n0.555240 0.792475 0.106000 Ca\n0.953565 0.708068 0.897888 Ca\n0.003230 0.999009 0.497731 Mn\n0.002877 0.499807 0.499153 Mn\n0.502456 0.999359 0.498015 Mn\n0.507627 0.501427 0.003679 Mn\n0.503227 0.499450 0.498940 Mn\n0.257423 0.251852 0.003530 Mn\n0.252513 0.247774 0.497577 Mn\n0.256466 0.753162 0.003983 Mn\n0.252494 0.749075 0.497867 Mn\n0.757508 0.253422 0.004538 Mn\n0.753116 0.249732 0.499014 Mn\n0.753503 0.749454 0.499154 Mn\n0.105730 0.091580 0.244873 Mn\n0.112060 0.095469 0.752556 Mn\n0.105865 0.597405 0.243346 Mn\n0.109269 0.602109 0.753700 Mn\n0.604819 0.092627 0.243274 Mn\n0.612176 0.100390 0.751678 Mn\n0.605486 0.593635 0.244629 Mn\n0.615336 0.597562 0.754795 Mn\n0.355340 0.401478 0.245130 Mn\n0.363411 0.404677 0.751873 Mn\n0.352777 0.902408 0.246715 Mn\n0.360261 0.904777 0.755125 Mn\n0.856066 0.402316 0.245148 Mn\n0.861258 0.408627 0.757112 Mn\n0.857864 0.899055 0.243347 Mn\n0.865487 0.900458 0.753567 Mn\n0.008224 0.001025 0.003770 Fe\n0.006526 0.501458 0.002896 Fe\n0.505881 0.002182 0.004143 Fe\n0.757345 0.750188 0.003040 Fe\n0.125543 0.118586 0.490686 O\n0.128667 0.120384 0.993444 O\n0.124657 0.622600 0.493580 O\n0.125318 0.627757 0.993640 O\n0.624828 0.123401 0.494605 O\n0.629191 0.127022 0.997099 O\n0.625352 0.623132 0.494666 O\n0.627638 0.618082 0.994117 O\n0.138307 0.379402 0.014704 O\n0.129221 0.375903 0.503729 O\n0.135852 0.879152 0.011874 O\n0.129823 0.876649 0.500948 O\n0.638331 0.381367 0.014156 O\n0.629449 0.376642 0.503431 O\n0.635144 0.879542 0.014411 O\n0.629482 0.876593 0.503645 O\n0.371135 0.116801 0.490042 O\n0.373086 0.121258 0.993953 O\n0.375118 0.621509 0.494302 O\n0.377024 0.624627 0.997446 O\n0.875952 0.122182 0.494938 O\n0.877820 0.122843 0.996793 O\n0.875160 0.621804 0.494011 O\n0.874516 0.617623 0.990087 O\n0.388533 0.384860 0.015403 O\n0.379666 0.376187 0.503445 O\n0.382648 0.883587 0.013943 O\n0.377740 0.877209 0.501651 O\n0.884302 0.381976 0.013606 O\n0.879535 0.377147 0.503488 O\n0.887804 0.881181 0.013036 O\n0.879847 0.877291 0.503046 O\n0.085195 0.091835 0.134486 O\n0.080006 0.080966 0.639440 O\n0.080191 0.594091 0.131860 O\n0.072770 0.583482 0.639197 O\n0.578671 0.094545 0.132945 O\n0.574511 0.083004 0.637551 O\n0.583998 0.597753 0.136740 O\n0.580236 0.582370 0.641381 O\n0.434347 0.418997 0.358959 O\n0.444314 0.416028 0.865416 O\n0.435848 0.918819 0.359917 O\n0.444234 0.919101 0.870285 O\n0.934293 0.418625 0.358879 O\n0.945672 0.414455 0.869946 O\n0.936180 0.918793 0.357571 O\n0.946854 0.910374 0.868576 O\n0.334222 0.288881 0.138190 O\n0.326377 0.303593 0.638806 O\n0.327922 0.790834 0.137770 O\n0.323494 0.807040 0.641387 O\n0.833415 0.290303 0.137326 O\n0.826832 0.311210 0.643353 O\n0.833320 0.786730 0.133257 O\n0.827294 0.804841 0.639992 O\n0.182497 0.192782 0.357481 O\n0.191437 0.204115 0.863175 O\n0.183344 0.697182 0.356983 O\n0.192421 0.709143 0.866098 O\n0.682769 0.188800 0.357218 O\n0.690133 0.208334 0.864816 O\n0.683938 0.690330 0.358333 O\n0.695324 0.703502 0.868399 O\n0.428387 0.062083 0.240015 O\n0.440482 0.064173 0.752201 O\n0.429500 0.564878 0.239785 O\n0.441218 0.568164 0.751901 O\n0.928671 0.064545 0.238595 O\n0.940373 0.065373 0.751888 O\n0.930493 0.564279 0.239861 O\n0.938287 0.576736 0.760944 O\n0.179544 0.427610 0.239872 O\n0.190950 0.440299 0.752391 O\n0.177458 0.922643 0.247249 O\n0.188553 0.931704 0.759948 O\n0.679704 0.425444 0.239882 O\n0.688173 0.431247 0.759987 O\n0.681229 0.925943 0.239395 O\n0.693583 0.938492 0.753187 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.479200572497499,
"density_atomic": 0.0736371438807758,
"volume": 1955.5348348809819,
"volume_molar": 8.178129192178215,
"formula_full": "Sr20 Ca12 Mn28 Fe4 O80",
"formula_reduced": "Sr5Ca3Mn7FeO20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1107.21695476,
"energy_per_atom": -7.6890066302777775,
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"updated_at": "2021-11-28T01:35:05.725000Z",
"spacegroup": 1
},
{
"id": "mp-1113634",
"created_at": "2022-09-04T14:40:35.894797Z",
"structure_string": "Rb2 Mn1 Tl1 F6\n1.0\n6.485625 0.000000 0.000000\n3.242813 5.616716 0.000000\n3.242813 1.872239 5.295491\nRb Mn Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n0.214575 0.785425 0.214575 F\n0.785425 0.785425 0.214575 F\n0.785425 0.214575 0.785425 F\n0.785425 0.214575 0.214575 F\n0.214575 0.785425 0.785425 F\n0.214575 0.214575 0.785425 F\n",
"nsites": 10,
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"elements": [
"Rb",
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Rb-Tl",
"density": 4.6849493338244494,
"density_atomic": 0.051839340357634045,
"volume": 192.9036891868429,
"volume_molar": 11.61693169406458,
"formula_full": "Rb2 Mn1 Tl1 F6",
"formula_reduced": "Rb2MnTlF6",
"formula_anonymous": "ABC2D6",
"energy": -52.20313679,
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"updated_at": "2021-11-28T01:34:55.624000Z",
"spacegroup": 225
},
{
"id": "mp-1021304",
"created_at": "2022-09-04T14:40:34.837166Z",
"structure_string": "K2 Na2 Mg12\n1.0\n5.384310 0.000000 0.000000\n0.000000 6.924631 0.000000\n0.000000 0.000000 11.882348\nK Na Mg\n2 2 12\ndirect\n0.000000 0.000000 0.829305 K\n0.000000 0.500000 0.329305 K\n0.500000 0.000000 0.662360 Na\n0.500000 0.500000 0.162360 Na\n0.000000 0.743094 0.578593 Mg\n0.000000 0.256906 0.578593 Mg\n0.000000 0.000000 0.335074 Mg\n0.500000 0.769589 0.424483 Mg\n0.500000 0.230411 0.424483 Mg\n0.500000 0.000000 0.167110 Mg\n0.000000 0.243094 0.078593 Mg\n0.000000 0.756906 0.078593 Mg\n0.000000 0.500000 0.835074 Mg\n0.500000 0.269589 0.924483 Mg\n0.500000 0.730411 0.924483 Mg\n0.500000 0.500000 0.667110 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Na",
"Mg"
],
"chemical_system": "K-Mg-Na",
"density": 1.5586276177937222,
"density_atomic": 0.03611528307289396,
"volume": 443.025739759705,
"volume_molar": 16.674771032100452,
"formula_full": "K2 Na2 Mg12",
"formula_reduced": "KNaMg6",
"formula_anonymous": "ABC6",
"energy": -21.13607148,
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"updated_at": "2021-11-28T01:34:52.921000Z",
"spacegroup": 38
},
{
"id": "mp-1074676",
"created_at": "2022-09-04T14:40:35.907288Z",
"structure_string": "Mg8 Si4\n1.0\n5.861580 0.000000 0.000000\n-2.803051 5.164176 0.000000\n-0.003387 -2.410166 7.552445\nMg Si\n8 4\ndirect\n0.941625 0.879378 0.818048 Mg\n0.686527 0.358923 0.164932 Mg\n0.185258 0.877184 0.183160 Mg\n0.626145 0.758581 0.455815 Mg\n0.422725 0.855444 0.823393 Mg\n0.638437 0.279355 0.528582 Mg\n0.141543 0.276922 0.543742 Mg\n0.181381 0.367058 0.154650 Mg\n0.128685 0.753374 0.490216 Si\n0.904485 0.374584 0.857937 Si\n0.481501 0.395738 0.858122 Si\n0.662045 0.823816 0.121872 Si\n",
"nsites": 12,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-Si",
"density": 2.2283103060441647,
"density_atomic": 0.052490165620906165,
"volume": 228.6142529377075,
"volume_molar": 11.472893424442653,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.660536130000004,
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"updated_at": "2021-11-28T01:35:05.328000Z",
"spacegroup": 1
},
{
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