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{
"id": "mp-555483",
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"structure_string": "Si4 O8\n1.0\n0.000000 4.759273 7.425374\n2.381425 0.000000 7.425374\n2.381425 4.759273 0.000000\nSi O\n4 8\ndirect\n0.563175 0.563175 0.936825 Si\n0.313175 0.313175 0.686825 Si\n0.686825 0.686825 0.313175 Si\n0.936825 0.936825 0.563175 Si\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.186217 0.813783 0.186217 O\n0.813783 0.186217 0.813783 O\n0.436217 0.063783 0.436217 O\n0.063783 0.436217 0.063783 O\n",
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{
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{
"id": "mp-720494",
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"structure_string": "K8 Te2 P8 H20 O40\n1.0\n5.819844 4.925019 0.000000\n-5.819844 4.925019 0.000000\n0.000000 2.720387 17.254945\nK Te P H O\n8 2 8 20 40\ndirect\n0.923561 0.076439 0.750000 K\n0.076439 0.923561 0.250000 K\n0.791214 0.546623 0.431287 K\n0.453377 0.208786 0.068713 K\n0.208786 0.453377 0.568713 K\n0.546623 0.791214 0.931287 K\n0.710255 0.289745 0.250000 K\n0.289745 0.710255 0.750000 K\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.365249 0.652510 0.135510 P\n0.347490 0.634752 0.364490 P\n0.634752 0.347490 0.864490 P\n0.652510 0.365248 0.635510 P\n0.234045 0.360284 0.263175 P\n0.639716 0.765955 0.236825 P\n0.765955 0.639716 0.736825 P\n0.360284 0.234045 0.763175 P\n0.815140 0.134536 0.592439 H\n0.865464 0.184860 0.907561 H\n0.184860 0.865464 0.407561 H\n0.134536 0.815140 0.092439 H\n0.028446 0.258706 0.401091 H\n0.741294 0.971554 0.098909 H\n0.971554 0.741294 0.598909 H\n0.258706 0.028446 0.901091 H\n0.732446 0.978307 0.429241 H\n0.021693 0.267554 0.070759 H\n0.267554 0.021693 0.570759 H\n0.978307 0.732446 0.929241 H\n0.445940 0.103597 0.424917 H\n0.896403 0.554060 0.075083 H\n0.554060 0.896403 0.575083 H\n0.103597 0.445940 0.924917 H\n0.572878 0.199374 0.476734 H\n0.800626 0.427122 0.023266 H\n0.427122 0.800626 0.523266 H\n0.199374 0.572878 0.976734 H\n0.796607 0.010075 0.575132 O\n0.989925 0.203393 0.924868 O\n0.203393 0.989925 0.424868 O\n0.010075 0.796607 0.075132 O\n0.009057 0.251028 0.459353 O\n0.748972 0.990943 0.040647 O\n0.990943 0.748972 0.540647 O\n0.251028 0.009057 0.959353 O\n0.836517 0.914855 0.425666 O\n0.085145 0.163483 0.074334 O\n0.163483 0.085145 0.574334 O\n0.914855 0.836517 0.925666 O\n0.534762 0.218882 0.704246 O\n0.781118 0.465238 0.795754 O\n0.465238 0.781118 0.295754 O\n0.218882 0.534762 0.204246 O\n0.648663 0.552168 0.672092 O\n0.447832 0.351337 0.827908 O\n0.351337 0.447832 0.327908 O\n0.552168 0.648663 0.172092 O\n0.560019 0.372285 0.564168 O\n0.627715 0.439981 0.935832 O\n0.439981 0.627715 0.435832 O\n0.372285 0.560019 0.064168 O\n0.838201 0.319184 0.630607 O\n0.680816 0.161799 0.869393 O\n0.161799 0.680816 0.369393 O\n0.319184 0.838201 0.130607 O\n0.046877 0.284773 0.300908 O\n0.715227 0.953123 0.199092 O\n0.953123 0.715227 0.699092 O\n0.284773 0.046877 0.800908 O\n0.758822 0.655830 0.275194 O\n0.344170 0.241178 0.224806 O\n0.241178 0.344170 0.724806 O\n0.655830 0.758822 0.775194 O\n0.575306 0.145291 0.428003 O\n0.854709 0.424694 0.071997 O\n0.424694 0.854709 0.571997 O\n0.145291 0.575306 0.928003 O\n",
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"elements": [
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],
"chemical_system": "H-K-O-P-Te",
"density": 2.477687473996371,
"density_atomic": 0.07885546077983308,
"volume": 989.1515340678618,
"volume_molar": 7.63693560400846,
"formula_full": "K8 Te2 P8 H20 O40",
"formula_reduced": "K4TeP4(HO2)10",
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"spacegroup": 15
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{
"id": "mp-865211",
"created_at": "2022-09-04T14:40:06.417139Z",
"structure_string": "Tm1 In1 Rh2\n1.0\n0.000000 3.303102 3.303102\n3.303102 0.000000 3.303102\n3.303102 3.303102 0.000000\nTm In Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
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"volume": 72.07687526329659,
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"formula_full": "Tm1 In1 Rh2",
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{
"id": "mp-978921",
"created_at": "2022-09-04T14:40:00.804589Z",
"structure_string": "Tb2 B8 Ir8\n1.0\n7.643963 0.000000 0.000000\n0.000000 7.643963 0.000000\n0.000000 0.000000 3.991555\nTb B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.842021 0.278376 0.888571 B\n0.157979 0.721624 0.888571 B\n0.278376 0.157979 0.111429 B\n0.721624 0.842021 0.111429 B\n0.778376 0.657979 0.388571 B\n0.221624 0.342021 0.388571 B\n0.342021 0.778376 0.611429 B\n0.657979 0.221624 0.611429 B\n0.890580 0.659969 0.887185 Ir\n0.109420 0.340031 0.887185 Ir\n0.340031 0.890580 0.112815 Ir\n0.659969 0.109420 0.112815 Ir\n0.840031 0.390580 0.387185 Ir\n0.159969 0.609420 0.387185 Ir\n0.390580 0.159969 0.612815 Ir\n0.609420 0.840031 0.612815 Ir\n",
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{
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"structure_string": "Sc1 B1 Pd3\n1.0\n4.234957 0.000000 0.000000\n0.000000 4.234957 0.000000\n0.000000 0.000000 4.234957\nSc B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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{
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"structure_string": "Cs2 Sr2 Si2 H2 O8\n1.0\n8.009372 0.000000 0.000000\n0.000000 5.999998 0.000000\n0.000000 3.023817 5.252863\nCs Sr Si H O\n2 2 2 2 8\ndirect\n0.228915 0.624532 0.650568 Cs\n0.728915 0.375468 0.349432 Cs\n0.483524 0.003614 0.986118 Sr\n0.983524 0.996386 0.013882 Sr\n0.246501 0.297354 0.322159 Si\n0.746501 0.702646 0.677841 Si\n0.006460 0.048713 0.492042 H\n0.506460 0.951287 0.507958 H\n0.241049 0.612827 0.156906 O\n0.741049 0.387173 0.843094 O\n0.241411 0.163638 0.140880 O\n0.741411 0.836362 0.859120 O\n0.398461 0.176591 0.533552 O\n0.898461 0.823409 0.466448 O\n0.070679 0.182145 0.515305 O\n0.570679 0.817855 0.484695 O\n",
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{
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{
"id": "mp-1200209",
"created_at": "2022-09-04T14:40:00.494224Z",
"structure_string": "Li4 B12 O18 F4\n1.0\n8.169612 2.444480 0.000000\n-8.169612 2.444480 0.000000\n0.000000 0.381015 10.158188\nLi B O F\n4 12 18 4\ndirect\n0.080784 0.154023 0.621014 Li\n0.154023 0.080784 0.121014 Li\n0.938099 0.452955 0.451200 Li\n0.452955 0.938099 0.951200 Li\n0.525036 0.790949 0.516042 B\n0.790949 0.525036 0.016042 B\n0.829060 0.897009 0.355565 B\n0.897009 0.829060 0.855565 B\n0.745981 0.452162 0.777887 B\n0.452162 0.745981 0.277887 B\n0.601190 0.089083 0.658755 B\n0.089083 0.601190 0.158755 B\n0.627841 0.302327 0.243563 B\n0.302327 0.627841 0.743563 B\n0.213000 0.025347 0.412351 B\n0.025347 0.213000 0.912351 B\n0.343686 0.580332 0.629192 O\n0.580332 0.343686 0.129192 O\n0.755435 0.870686 0.483719 O\n0.870686 0.755435 0.983719 O\n0.849085 0.687410 0.752644 O\n0.687410 0.849085 0.252644 O\n0.731764 0.341005 0.671576 O\n0.341005 0.731764 0.171576 O\n0.667331 0.339375 0.903579 O\n0.339375 0.667331 0.403579 O\n0.670209 0.062835 0.549373 O\n0.062835 0.670209 0.049373 O\n0.412662 0.873345 0.754653 O\n0.873345 0.412662 0.254653 O\n0.459585 0.158659 0.352791 O\n0.158659 0.459585 0.852791 O\n0.048043 0.980438 0.318669 O\n0.980438 0.048043 0.818669 O\n0.300241 0.195930 0.518139 F\n0.195930 0.300241 0.018139 F\n0.037372 0.756725 0.469788 F\n0.756725 0.037372 0.969788 F\n",
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{
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{
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{
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