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{
"id": "jvasp-42489",
"created_at": "2022-09-04T14:38:32.028467Z",
"updated_at": "2022-09-04T14:38:32.028484Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.736059 4.736059 3.241860\n0.096690 4.807768 -3.205642\n-4.807768 -0.096690 -3.205642\nMn O F\n6 2 10\ndirect\n0.847730 0.678717 0.678717 Mn\n0.687805 0.334857 0.334857 Mn\n0.312196 0.665143 0.665143 Mn\n0.152271 0.321282 0.321282 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.966614 0.216414 0.216414 O\n0.033387 0.783586 0.783586 O\n0.663600 0.633985 0.036040 F\n0.336401 0.963960 0.366014 F\n0.375620 0.420832 0.420832 F\n0.706402 0.093386 0.093386 F\n0.663600 0.036040 0.633985 F\n0.293599 0.906614 0.906614 F\n0.336401 0.366014 0.963960 F\n0.000000 0.307091 0.692908 F\n0.624381 0.579168 0.579168 F\n0.000000 0.692908 0.307091 F\n",
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{
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"updated_at": "2022-09-04T14:38:32.056234Z",
"structure_string": "Ca4 Mg4 Sn4\n1.0\n4.681713 0.000000 0.000000\n0.000000 7.826301 0.000000\n0.000000 0.000000 8.763488\nCa Mg Sn\n4 4 4\ndirect\n0.749999 0.480103 0.683537 Ca\n0.749999 0.980103 0.816463 Ca\n0.250000 0.519897 0.316463 Ca\n0.250000 0.019897 0.183537 Ca\n0.749999 0.855560 0.436777 Mg\n0.250000 0.144440 0.563223 Mg\n0.250000 0.644439 0.936777 Mg\n0.749999 0.355560 0.063223 Mg\n0.749999 0.735434 0.116059 Sn\n0.250000 0.264565 0.883941 Sn\n0.749999 0.235435 0.383941 Sn\n0.250000 0.764565 0.616059 Sn\n",
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{
"id": "jvasp-12747",
"created_at": "2022-09-04T14:38:32.084014Z",
"updated_at": "2022-09-04T14:38:32.084042Z",
"structure_string": "Na2 Ag6 O4\n1.0\n5.382771 0.000000 -2.652198\n-1.381388 5.297366 -2.803596\n-0.005381 0.014847 6.777482\nNa Ag O\n2 6 4\ndirect\n0.750000 0.500000 -0.000000 Na\n0.250000 0.500000 -0.000000 Na\n0.000000 0.500001 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500001 0.500000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.610645 0.822492 0.221290 O\n0.110645 0.398800 0.221291 O\n0.889355 0.601201 0.778709 O\n0.389355 0.177510 0.778709 O\n",
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"density": 6.499231288520443,
"density_atomic": 0.06202851320200974,
"volume": 193.45941697682343,
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"formula_anonymous": "AB2C3",
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{
"id": "jvasp-17467",
"created_at": "2022-09-04T14:38:32.095250Z",
"updated_at": "2022-09-04T14:38:32.095265Z",
"structure_string": "Y1 Fe2 O4\n1.0\n3.437440 0.000054 7.778414\n1.642163 3.019817 7.778414\n0.000092 0.000054 8.504100\nY Fe O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.787480 0.787479 0.787481 Fe\n0.212520 0.212520 0.212520 Fe\n0.873193 0.873192 0.873195 O\n0.126806 0.126806 0.126806 O\n0.708579 0.708578 0.708580 O\n0.291421 0.291420 0.291421 O\n",
"nsites": 7,
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"formula_full": "Y1 Fe2 O4",
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{
"id": "jvasp-21457",
"created_at": "2022-09-04T14:38:32.126682Z",
"updated_at": "2022-09-04T14:38:32.126719Z",
"structure_string": "Tm4 Fe2 C8\n1.0\n4.594792 -0.000000 1.907190\n1.784666 5.832009 2.188863\n0.003598 0.024946 6.479803\nTm Fe C\n4 2 8\ndirect\n0.145099 0.509340 0.200465 Tm\n0.854902 0.490661 0.799534 Tm\n0.354902 0.799535 0.490660 Tm\n0.645098 0.200465 0.509339 Tm\n0.250000 -0.000000 0.000000 Fe\n0.750000 -0.000000 0.000000 Fe\n0.421472 0.245901 0.911155 C\n0.578529 0.754100 0.088844 C\n0.078529 0.088845 0.754099 C\n0.921472 0.911156 0.245899 C\n0.370315 0.469442 0.789929 C\n0.629686 0.530559 0.210070 C\n0.870315 0.789930 0.469441 C\n0.129686 0.210070 0.530558 C\n",
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"elements": [
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"density": 8.459242376629529,
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"volume": 173.43242540257341,
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"formula_full": "Tm4 Fe2 C8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-21054",
"created_at": "2022-09-04T14:38:32.126386Z",
"updated_at": "2022-09-04T14:38:32.126430Z",
"structure_string": "Mg2 P2 O7\n1.0\n4.486866 0.006695 -0.662617\n-0.969431 5.031187 -1.274406\n0.006023 -0.015887 5.279816\nMg P O\n2 2 7\ndirect\n0.500000 0.688059 0.311940 Mg\n0.500000 0.311940 0.688059 Mg\n0.093320 0.779869 0.779869 P\n0.906680 0.220130 0.220130 P\n0.279519 0.926130 0.620806 O\n0.720481 0.379193 0.073869 O\n0.720481 0.073869 0.379193 O\n0.279519 0.620806 0.926130 O\n0.000000 0.000000 0.000000 O\n0.786625 0.618566 0.618566 O\n0.213375 0.381433 0.381433 O\n",
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"density": 3.1018531003301937,
"density_atomic": 0.0923274261804995,
"volume": 119.14119623019789,
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"formula_full": "Mg2 P2 O7",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 12
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{
"id": "jvasp-16734",
"created_at": "2022-09-04T14:38:32.012450Z",
"updated_at": "2022-09-04T14:38:32.012466Z",
"structure_string": "Lu1 Si2 Ni2\n1.0\n3.675552 0.000000 -1.398025\n-0.531750 3.636884 -1.398025\n-0.013144 -0.015205 5.496160\nLu Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.625139 0.625139 0.250278 Si\n0.374861 0.374861 0.749721 Si\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n",
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"spacegroup": 139
},
{
"id": "jvasp-119019",
"created_at": "2022-09-04T14:38:32.591307Z",
"updated_at": "2022-09-04T14:38:32.591333Z",
"structure_string": "Y10 Si6 C2\n1.0\n8.440654 -0.000000 0.000000\n-4.220327 7.309821 0.000000\n-0.000000 -0.000000 6.420542\nY Si C\n10 6 2\ndirect\n0.666666 0.333333 -0.000000 Y\n-0.000000 0.776809 0.250000 Y\n0.223191 0.223191 0.250000 Y\n-0.000000 0.223191 0.750000 Y\n0.223191 0.000000 0.750000 Y\n0.776809 0.000000 0.250000 Y\n0.666666 0.333333 0.500000 Y\n0.333333 0.666667 0.500000 Y\n0.333333 0.666667 -0.000000 Y\n0.776809 0.776809 0.750000 Y\n0.409323 0.409323 0.750000 Si\n0.590677 0.000000 0.750000 Si\n-0.000000 0.590677 0.750000 Si\n0.590676 0.590677 0.250000 Si\n0.409323 0.000000 0.250000 Si\n-0.000000 0.409323 0.250000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"volume": 396.14532174110207,
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"formula_full": "Y10 Si6 C2",
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{
"id": "jvasp-118321",
"created_at": "2022-09-04T14:38:32.659275Z",
"updated_at": "2022-09-04T14:38:32.659295Z",
"structure_string": "Ta1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nTa O F\n1 1 1\ndirect\n0.042767 0.413150 0.000000 Ta\n0.260829 -0.035076 0.000000 O\n-0.093784 -0.152546 0.000000 F\n",
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{
"id": "jvasp-58996",
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"updated_at": "2022-09-04T14:38:32.715441Z",
"structure_string": "Si8 Te8 Pt8\n1.0\n6.243283 0.000000 0.000000\n0.000000 6.340318 0.000000\n0.000000 0.000000 12.674224\nSi Te Pt\n8 8 8\ndirect\n0.871719 0.331068 0.438708 Si\n0.371719 0.168932 0.561292 Si\n0.628281 0.668932 0.938708 Si\n0.371719 0.331068 0.061292 Si\n0.871719 0.168932 0.938708 Si\n0.628281 0.831069 0.438708 Si\n0.128281 0.668932 0.561292 Si\n0.128281 0.831069 0.061292 Si\n0.381881 0.918598 0.825134 Te\n0.118119 0.418598 0.825134 Te\n0.118119 0.081402 0.325134 Te\n0.618119 0.418598 0.674866 Te\n0.881881 0.581403 0.174866 Te\n0.381881 0.581403 0.325134 Te\n0.881881 0.918598 0.674866 Te\n0.618119 0.081402 0.174866 Te\n0.526589 0.314800 0.887314 Pt\n0.026589 0.185201 0.112685 Pt\n0.473411 0.814800 0.612685 Pt\n0.973411 0.685201 0.387315 Pt\n0.473411 0.685201 0.112685 Pt\n0.973411 0.814800 0.887314 Pt\n0.526589 0.185201 0.387315 Pt\n0.026589 0.314800 0.612685 Pt\n",
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{
"id": "jvasp-119025",
"created_at": "2022-09-04T14:38:32.716128Z",
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"structure_string": "Tb10 Si6 B2\n1.0\n8.582402 0.000000 0.000000\n-4.291201 7.432578 0.000000\n-0.000000 -0.000000 6.360657\nTb Si B\n10 6 2\ndirect\n0.666667 0.333333 -0.000000 Tb\n0.000000 0.759720 0.250000 Tb\n0.240280 0.240280 0.250000 Tb\n0.000000 0.240280 0.750000 Tb\n0.240280 -0.000000 0.750000 Tb\n0.759720 -0.000000 0.250000 Tb\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.500000 Tb\n0.333333 0.666667 -0.000000 Tb\n0.759720 0.759720 0.750000 Tb\n0.398457 0.398457 0.750000 Si\n0.601543 -0.000000 0.750000 Si\n0.000000 0.601543 0.750000 Si\n0.601543 0.601543 0.250000 Si\n0.398457 -0.000000 0.250000 Si\n0.000000 0.398457 0.250000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
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{
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"created_at": "2022-09-04T14:38:33.826934Z",
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"structure_string": "Li2 Bi1 Au1\n1.0\n4.160520 -0.000000 2.402077\n1.386840 3.922575 2.402077\n-0.000000 -0.000000 4.804154\nLi Bi Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.750000 0.749999 0.750001 Au\n",
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}
]
}