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"results": [
{
"id": "jvasp-98002",
"created_at": "2022-09-04T14:36:03.672632Z",
"updated_at": "2022-09-04T14:36:03.672658Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n5.380311 0.005261 0.000000\n-1.948399 6.283785 0.000000\n0.000000 0.000000 26.737467\nK Mn P O\n2 12 14 48\ndirect\n0.780765 0.376445 0.750000 K\n0.219235 0.623555 0.250000 K\n0.622870 0.278037 0.316655 Mn\n0.687627 0.684858 0.044670 Mn\n0.312373 0.315143 0.544670 Mn\n0.312373 0.315143 0.955331 Mn\n0.687627 0.684858 0.455331 Mn\n0.377130 0.721964 0.816655 Mn\n0.708679 0.086189 0.598061 Mn\n0.708679 0.086189 0.901939 Mn\n0.291321 0.913812 0.401939 Mn\n0.622870 0.278037 0.183345 Mn\n0.377130 0.721964 0.683346 Mn\n0.291321 0.913812 0.098061 Mn\n0.752067 0.806059 0.167840 P\n0.247933 0.193942 0.667840 P\n0.247933 0.193942 0.832160 P\n0.752067 0.806059 0.332160 P\n0.044816 0.092470 0.250000 P\n0.789977 0.204589 0.024437 P\n0.955184 0.907531 0.750000 P\n0.210022 0.795411 0.975563 P\n0.789977 0.204589 0.475563 P\n0.185769 0.383507 0.110068 P\n0.814231 0.616493 0.610068 P\n0.814231 0.616493 0.889932 P\n0.185769 0.383507 0.389932 P\n0.210022 0.795411 0.524437 P\n0.361272 0.606107 0.095925 O\n0.046280 0.292343 0.441928 O\n0.953720 0.707657 0.941928 O\n0.953720 0.707657 0.558072 O\n0.638728 0.393894 0.595926 O\n0.627562 0.995074 0.451958 O\n0.372438 0.004927 0.548042 O\n0.330108 0.217789 0.250000 O\n0.046280 0.292343 0.058072 O\n0.372438 0.004927 0.951958 O\n0.891503 0.794523 0.118562 O\n0.349423 0.232582 0.122524 O\n0.003082 0.937188 0.296865 O\n-0.003082 0.062812 0.796865 O\n-0.003082 0.062812 0.703136 O\n0.003082 0.937188 0.203136 O\n0.635873 0.596341 0.305440 O\n0.364127 0.403660 0.805440 O\n0.364127 0.403660 0.694560 O\n0.635873 0.596341 0.194560 O\n0.565143 0.943169 0.333760 O\n0.434857 0.056832 0.833760 O\n0.434857 0.056832 0.666241 O\n0.565143 0.943169 0.166241 O\n0.891503 0.794523 0.381438 O\n0.108497 0.205477 0.881438 O\n0.108497 0.205477 0.618562 O\n0.151536 0.782674 0.750000 O\n0.361272 0.606107 0.404075 O\n0.848464 0.217327 0.250000 O\n0.669892 0.782212 0.750000 O\n0.650576 0.767419 0.622524 O\n0.650576 0.767419 0.877477 O\n0.349423 0.232582 0.377476 O\n0.989719 0.386079 0.150150 O\n0.010281 0.613921 0.650150 O\n0.010281 0.613921 0.849850 O\n0.989719 0.386079 0.349850 O\n0.640373 0.369786 0.478157 O\n0.359627 0.630214 0.978157 O\n0.359627 0.630214 0.521843 O\n0.640373 0.369786 0.021843 O\n0.910816 0.173879 0.526083 O\n0.089184 0.826122 0.026083 O\n0.089184 0.826122 0.473917 O\n0.910816 0.173879 0.973918 O\n0.627562 0.995074 0.048042 O\n0.638728 0.393894 0.904075 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P",
"density": 3.5608941280948505,
"density_atomic": 0.08404908286984228,
"volume": 904.2335431273292,
"volume_molar": 7.16502852187672,
"formula_full": "K2 Mn12 P14 O48",
"formula_reduced": "KMn6P7O24",
"formula_anonymous": "AB6C7D24",
"energy_above_hull": 3.462903524954628,
"spacegroup": 11
},
{
"id": "jvasp-54839",
"created_at": "2022-09-04T14:37:44.741479Z",
"updated_at": "2022-09-04T14:37:44.741507Z",
"structure_string": "K2 Mn1 Nb6 Cl18\n1.0\n8.135038 0.001823 5.738915\n2.975666 7.571277 5.738916\n0.002674 0.001823 9.955600\nK Mn Nb Cl\n2 1 6 18\ndirect\n0.278095 0.278095 0.278096 K\n0.721905 0.721904 0.721905 K\n0.000000 0.000000 0.000000 Mn\n0.291562 0.655819 0.410474 Nb\n0.410474 0.291562 0.655820 Nb\n0.655820 0.410474 0.291563 Nb\n0.708438 0.344180 0.589527 Nb\n0.344181 0.589526 0.708438 Nb\n0.589526 0.708438 0.344181 Nb\n0.215496 0.357437 0.929638 Cl\n0.563352 0.422906 0.850464 Cl\n0.848848 0.303745 0.021843 Cl\n0.151153 0.696255 0.978158 Cl\n0.577093 0.149536 0.436648 Cl\n0.642563 0.070362 0.784505 Cl\n0.303745 0.021842 0.848848 Cl\n0.929638 0.215495 0.357438 Cl\n0.422907 0.850464 0.563353 Cl\n0.784505 0.642563 0.070363 Cl\n0.696256 0.978158 0.151153 Cl\n0.436648 0.577093 0.149537 Cl\n0.850464 0.563352 0.422907 Cl\n0.357438 0.929638 0.215496 Cl\n0.978158 0.151152 0.696256 Cl\n0.070362 0.784504 0.642563 Cl\n0.021842 0.848847 0.303745 Cl\n0.149536 0.436648 0.577094 Cl\n",
"nsites": 27,
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"elements": [
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"Mn",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Mn-Nb",
"density": 3.5995437079415002,
"density_atomic": 0.044048019120945615,
"volume": 612.9674055458494,
"volume_molar": 13.67176295366337,
"formula_full": "K2 Mn1 Nb6 Cl18",
"formula_reduced": "K2Mn(NbCl3)6",
"formula_anonymous": "AB2C6D18",
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"spacegroup": 148
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{
"id": "jvasp-97499",
"created_at": "2022-09-04T14:35:41.682083Z",
"updated_at": "2022-09-04T14:35:41.682111Z",
"structure_string": "K8 Mn2 Mo8 O30\n1.0\n10.373256 -0.000000 -0.000000\n-5.186628 8.983503 -0.000000\n-0.000000 -0.000000 8.066690\nK Mn Mo O\n8 2 8 30\ndirect\n0.912384 0.611498 0.133952 K\n0.388501 0.300886 0.133952 K\n0.087616 0.388501 0.866048 K\n0.611499 0.699114 0.866048 K\n0.000000 0.000000 0.000000 K\n0.300885 0.912384 0.866048 K\n0.699115 0.087616 0.133952 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.458005 Mn\n0.333333 0.666667 0.541995 Mn\n0.983977 0.659860 0.638907 Mo\n0.324116 0.983976 0.361094 Mo\n0.666667 0.333333 0.856789 Mo\n0.340140 0.324116 0.638907 Mo\n0.333333 0.666667 0.143211 Mo\n0.675884 0.016024 0.638907 Mo\n0.016023 0.340139 0.361094 Mo\n0.659861 0.675884 0.361094 Mo\n0.364087 0.507511 0.665058 O\n0.635913 0.492488 0.334942 O\n0.007904 0.269350 0.559593 O\n0.208942 0.991218 0.204430 O\n0.143424 0.635912 0.665058 O\n0.261445 0.992095 0.559593 O\n0.791058 0.008782 0.795570 O\n0.825503 0.346370 0.950044 O\n0.519501 0.331807 0.655477 O\n0.738555 0.007904 0.440407 O\n0.730650 0.738554 0.559593 O\n0.174497 0.653630 0.049956 O\n0.008781 0.217724 0.204430 O\n0.346370 0.520867 0.049956 O\n0.269350 0.261446 0.440407 O\n0.856576 0.364087 0.334942 O\n0.480499 0.668193 0.344523 O\n0.992096 0.730650 0.440407 O\n0.812307 0.480499 0.655477 O\n0.507512 0.143424 0.334942 O\n0.782276 0.791057 0.204430 O\n0.492488 0.856576 0.665058 O\n0.331807 0.812306 0.344523 O\n0.187693 0.519500 0.344523 O\n0.668193 0.187694 0.655477 O\n0.520867 0.174497 0.950044 O\n0.217724 0.208943 0.795570 O\n0.479133 0.825502 0.049956 O\n0.653630 0.479133 0.950044 O\n0.991219 0.782276 0.795570 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
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"Mo",
"O"
],
"chemical_system": "K-Mn-Mo-O",
"density": 3.6893695807973867,
"density_atomic": 0.06385355139883857,
"volume": 751.7201306499777,
"volume_molar": 9.43117591437449,
"formula_full": "K8 Mn2 Mo8 O30",
"formula_reduced": "K4MnMo4O15",
"formula_anonymous": "AB4C4D15",
"energy_above_hull": 3.129403972557471,
"spacegroup": 147
},
{
"id": "jvasp-119065",
"created_at": "2022-09-04T14:38:50.943247Z",
"updated_at": "2022-09-04T14:38:50.943278Z",
"structure_string": "K2 Mn2 I2 O12\n1.0\n5.083506 -0.000000 0.000000\n-2.541753 4.402446 0.000000\n-0.000000 -0.000000 11.838412\nK Mn I O\n2 2 2 12\ndirect\n0.666668 0.333334 0.250000 K\n0.666668 0.333334 0.750000 K\n0.333334 0.666667 0.500000 Mn\n0.333334 0.666667 -0.000000 Mn\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.664979 0.952148 0.590897 O\n0.664979 0.952148 0.090897 O\n0.664979 0.712831 0.909103 O\n0.664979 0.712831 0.409103 O\n0.287171 0.335023 0.590897 O\n0.287171 0.952148 0.409103 O\n0.287171 0.952148 0.909103 O\n0.047853 0.712831 0.090897 O\n0.047853 0.335023 0.909103 O\n0.047853 0.335023 0.409103 O\n0.287171 0.335023 0.090897 O\n0.047853 0.712831 0.590897 O\n",
"nsites": 18,
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"elements": [
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"I",
"O"
],
"chemical_system": "I-K-Mn-O",
"density": 3.972843908678449,
"density_atomic": 0.06793939525042639,
"volume": 264.94201094448266,
"volume_molar": 8.863989350806307,
"formula_full": "K2 Mn2 I2 O12",
"formula_reduced": "KMnIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.160903612931034,
"spacegroup": 149
},
{
"id": "jvasp-28390",
"created_at": "2022-09-04T14:36:51.947464Z",
"updated_at": "2022-09-04T14:36:51.947485Z",
"structure_string": "K2 Mg2 Si2 O7\n1.0\n5.115816 -0.000003 0.000002\n-2.557911 4.430432 -0.000002\n0.000001 -0.000003 6.632863\nK Mg Si O\n2 2 2 7\ndirect\n0.333337 0.666669 0.500000 K\n0.666664 0.333332 0.500000 K\n0.666667 0.333334 -0.000000 Mg\n0.333333 0.666666 0.000000 Mg\n0.000000 0.000001 0.758045 Si\n0.000000 -0.000001 0.241955 Si\n0.000000 0.000000 0.500000 O\n0.688085 0.000001 0.180777 O\n0.311916 0.311916 0.180777 O\n-0.000000 0.688085 0.180778 O\n0.311916 0.000001 0.819222 O\n0.688085 0.688085 0.819222 O\n0.000000 0.311915 0.819222 O\n",
"nsites": 13,
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],
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"density": 3.258142540646234,
"density_atomic": 0.08647319013682288,
"volume": 150.33561245318518,
"volume_molar": 6.964170918722232,
"formula_full": "K2 Mg2 Si2 O7",
"formula_reduced": "K2Mg2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 1.635114292307692,
"spacegroup": 162
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{
"id": "jvasp-49179",
"created_at": "2022-09-04T14:37:09.561235Z",
"updated_at": "2022-09-04T14:37:09.561251Z",
"structure_string": "K2 Mg2 P6 O18\n1.0\n3.321702 -5.753357 0.000000\n3.321702 5.753357 0.000000\n0.000000 0.000000 9.863437\nK Mg P O\n2 2 6 18\ndirect\n0.666667 0.333333 0.500000 K\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.500000 Mg\n0.333333 0.666667 0.000000 Mg\n0.714978 0.773010 0.250000 P\n0.226989 0.285021 0.750000 P\n0.226989 0.941969 0.250000 P\n0.058030 0.773010 0.750000 P\n0.058031 0.285021 0.250000 P\n0.714978 0.941969 0.750000 P\n0.076625 0.668664 0.619694 O\n0.239388 0.190857 0.250000 O\n0.951469 0.760611 0.250000 O\n0.809143 0.048530 0.250000 O\n0.809142 0.760611 0.750000 O\n0.951469 0.190857 0.750000 O\n0.239388 0.048531 0.750000 O\n0.076625 0.668664 0.880306 O\n0.592038 0.668663 0.380306 O\n0.076625 0.407962 0.119694 O\n0.592038 0.668663 0.119694 O\n0.331336 0.923375 0.119694 O\n0.331336 0.407961 0.880306 O\n0.331336 0.923375 0.380306 O\n0.331336 0.407961 0.619694 O\n0.076625 0.407962 0.380306 O\n0.592038 0.923375 0.880306 O\n0.592038 0.923375 0.619694 O\n",
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"formula_full": "K2 Mg2 P6 O18",
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"formula_anonymous": "ABC3D9",
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"spacegroup": 188
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{
"id": "jvasp-122121",
"created_at": "2022-09-04T14:38:55.485617Z",
"updated_at": "2022-09-04T14:38:55.485651Z",
"structure_string": "K2 Mg4 P4 O16\n1.0\n8.255106 -0.091893 4.768923\n6.491719 5.100275 4.768923\n-0.022183 -0.007534 9.581369\nK Mg P O\n2 4 4 16\ndirect\n0.743808 0.256193 0.749999 K\n0.256191 0.743810 0.249999 K\n0.548940 0.159854 0.560577 Mg\n0.451059 0.840149 0.439422 Mg\n0.840147 0.451061 0.939422 Mg\n0.159852 0.548941 0.060577 Mg\n0.937594 0.329164 0.281858 P\n0.062405 0.670839 0.718141 P\n0.329162 0.937596 0.781858 P\n0.670837 0.062406 0.218141 P\n0.482417 0.718595 0.923082 O\n0.563655 0.973034 0.320999 O\n0.436344 0.026968 0.679000 O\n0.718593 0.482419 0.423082 O\n0.281406 0.517584 0.576917 O\n0.517582 0.281407 0.076917 O\n0.959170 0.835261 0.146907 O\n0.163595 0.642225 0.827568 O\n0.164741 0.040830 0.353091 O\n0.835258 0.959172 0.646907 O\n0.836404 0.357778 0.172431 O\n0.973032 0.563658 0.820999 O\n0.642223 0.163597 0.327568 O\n0.357776 0.836406 0.672431 O\n0.040829 0.164742 0.853091 O\n0.026967 0.436345 0.179000 O\n",
"nsites": 26,
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"formula_full": "K2 Mg4 P4 O16",
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"formula_anonymous": "AB2C2D8",
"energy_above_hull": null,
"spacegroup": 15
},
{
"id": "jvasp-111362",
"created_at": "2022-09-04T14:38:49.592597Z",
"updated_at": "2022-09-04T14:38:49.592621Z",
"structure_string": "K2 Mg1 Cu1 F6\n1.0\n5.697388 -0.000000 0.000000\n0.000000 5.697388 0.000000\n-0.000000 -0.000000 4.015025\nK Mg Cu F\n2 1 1 6\ndirect\n-0.000000 0.500000 0.500001 K\n0.500000 0.000000 0.500001 K\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.000000 0.000000 Cu\n0.253003 0.253003 -0.000000 F\n0.746997 0.746997 -0.000000 F\n0.746997 0.253003 -0.000000 F\n0.253003 0.746997 -0.000000 F\n0.000000 0.000000 0.500001 F\n0.500000 0.500000 0.500001 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Cu-F-K-Mg",
"density": 3.568011518342133,
"density_atomic": 0.07672910866019696,
"volume": 130.32863504626474,
"volume_molar": 7.848573853072754,
"formula_full": "K2 Mg1 Cu1 F6",
"formula_reduced": "K2MgCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-106060",
"created_at": "2022-09-04T14:36:02.478387Z",
"updated_at": "2022-09-04T14:36:02.478411Z",
"structure_string": "K2 Mg1 Cu1 F6\n1.0\n4.030059 0.000000 0.000000\n0.000000 4.030059 0.000000\n0.000000 0.000000 8.061030\nK Mg Cu F\n2 1 1 6\ndirect\n0.500000 0.500000 0.247296 K\n0.500000 0.500000 0.752704 K\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.252096 F\n0.000000 0.000000 0.747904 F\n0.000000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 10,
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],
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"density_atomic": 0.07638123111511794,
"volume": 130.92221549726665,
"volume_molar": 7.884320103355932,
"formula_full": "K2 Mg1 Cu1 F6",
"formula_reduced": "K2MgCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.000291,
"spacegroup": 123
},
{
"id": "jvasp-10207",
"created_at": "2022-09-04T14:37:31.680057Z",
"updated_at": "2022-09-04T14:37:31.680077Z",
"structure_string": "K2 Mg1 C2 O6\n1.0\n4.718054 -0.030555 4.367668\n1.889576 4.323247 4.367668\n-0.047033 -0.030555 6.429180\nK Mg C O\n2 1 2 6\ndirect\n0.789663 0.789666 0.789663 K\n0.210336 0.210337 0.210336 K\n0.000000 0.000000 0.000000 Mg\n0.595595 0.595597 0.595595 C\n0.404404 0.404406 0.404404 C\n0.694420 0.261277 0.261275 O\n0.261275 0.261277 0.694420 O\n0.261275 0.694422 0.261275 O\n0.738724 0.305581 0.738724 O\n0.738724 0.738726 0.305578 O\n0.305579 0.738726 0.738724 O\n",
"nsites": 11,
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"elements": [
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"C",
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],
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"volume": 132.78104031759435,
"volume_molar": 7.269328318652621,
"formula_full": "K2 Mg1 C2 O6",
"formula_reduced": "K2Mg(CO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 166
},
{
"id": "jvasp-117212",
"created_at": "2022-09-04T14:38:43.805656Z",
"updated_at": "2022-09-04T14:38:43.805688Z",
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{
"id": "jvasp-25662",
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"updated_at": "2022-09-04T14:37:44.805218Z",
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}