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{
"id": "jvasp-58441",
"created_at": "2022-09-04T14:38:30.617587Z",
"updated_at": "2022-09-04T14:38:30.617612Z",
"structure_string": "Ta4 Se6\n1.0\n0.000000 6.595241 -0.019304\n3.429294 0.000000 0.000000\n0.000000 -2.276991 -9.017052\nTa Se\n4 6\ndirect\n0.886954 0.250000 0.366383 Ta\n0.113045 0.749999 0.633617 Ta\n0.678473 0.250000 0.998130 Ta\n0.321527 0.749999 0.001869 Ta\n0.274385 0.250000 0.486616 Se\n0.725615 0.749999 0.513383 Se\n0.028382 0.250000 0.842156 Se\n0.971618 0.749999 0.157843 Se\n0.523421 0.749999 0.793987 Se\n0.476579 0.250000 0.206013 Se\n",
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{
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"updated_at": "2022-09-04T14:38:30.737909Z",
"structure_string": "Na10 In2 S8\n1.0\n0.000000 6.753059 0.010904\n8.804099 0.000000 0.000000\n0.000000 -0.104222 -7.813312\nNa In S\n10 2 8\ndirect\n0.343197 0.481062 0.335106 Na\n0.000000 0.000000 0.000000 Na\n0.669204 0.250000 0.162050 Na\n0.330797 0.750000 0.837950 Na\n0.976640 0.250000 0.523102 Na\n0.000000 0.500000 0.000000 Na\n0.343197 0.018938 0.335106 Na\n0.656803 0.518938 0.664894 Na\n0.656803 0.981062 0.664894 Na\n0.023361 0.750000 0.476898 Na\n0.639130 0.750000 0.175136 In\n0.360870 0.250000 0.824864 In\n0.763104 0.750000 0.875503 S\n0.768747 0.982227 0.328332 S\n0.231253 0.482227 0.671668 S\n0.231253 0.017774 0.671668 S\n0.768747 0.517774 0.328332 S\n0.267286 0.750000 0.178049 S\n0.732714 0.250000 0.821951 S\n0.236896 0.250000 0.124497 S\n",
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{
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"updated_at": "2022-09-04T14:38:30.913806Z",
"structure_string": "H2 Pb2 Cl2\n1.0\n5.825273 0.000000 0.321993\n0.000000 4.266725 0.000000\n-2.316913 0.000000 5.422031\nH Pb Cl\n2 2 2\ndirect\n0.547497 0.250000 0.624394 H\n0.452503 0.750001 0.375605 H\n0.662698 0.750001 0.756405 Pb\n0.337302 0.250000 0.243595 Pb\n0.197005 0.750001 0.792537 Cl\n0.802995 0.250000 0.207462 Cl\n",
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"spacegroup": 11
},
{
"id": "jvasp-19608",
"created_at": "2022-09-04T14:38:31.038111Z",
"updated_at": "2022-09-04T14:38:31.038132Z",
"structure_string": "Ti2 Ni2\n1.0\n0.000000 2.944558 0.112752\n3.987308 0.000000 0.000000\n0.000000 -1.159742 -4.730740\nTi Ni\n2 2\ndirect\n0.364616 0.250000 0.214451 Ti\n0.635385 0.750000 0.785550 Ti\n0.080946 0.250000 0.672452 Ni\n0.919055 0.750000 0.327548 Ni\n",
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"elements": [
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"volume": 55.021561201591375,
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{
"id": "jvasp-21053",
"created_at": "2022-09-04T14:38:31.326780Z",
"updated_at": "2022-09-04T14:38:31.326804Z",
"structure_string": "Er2 B6 Mo2\n1.0\n0.000000 5.401887 -0.000795\n3.151779 0.000000 0.000000\n0.000000 -1.379142 -6.696889\nEr B Mo\n2 6 2\ndirect\n0.824472 0.750000 0.290843 Er\n0.175529 0.250000 0.709157 Er\n0.581882 0.250000 0.523597 B\n0.418119 0.750000 0.476403 B\n0.587636 0.250000 0.004551 B\n0.412365 0.750000 0.995449 B\n0.916218 0.250000 0.007000 B\n0.083783 0.750000 0.992999 B\n0.689661 0.750000 0.778147 Mo\n0.310339 0.250000 0.221852 Mo\n",
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{
"id": "jvasp-56366",
"created_at": "2022-09-04T14:38:31.401816Z",
"updated_at": "2022-09-04T14:38:31.401842Z",
"structure_string": "Ag2 Bi4 Se6 Cl2\n1.0\n0.000000 8.122489 0.004152\n4.143068 0.000000 0.000000\n0.000000 -2.769421 -10.871127\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.049963 0.750000 0.412883 Ag\n0.950038 0.250000 0.587118 Ag\n0.807719 0.250000 0.066736 Bi\n0.192281 0.750000 0.933264 Bi\n0.532387 0.750000 0.341186 Bi\n0.467614 0.250000 0.658814 Bi\n0.797631 0.250000 0.335393 Se\n0.954667 0.250000 0.847814 Se\n0.309390 0.250000 0.410752 Se\n0.690611 0.750000 0.589249 Se\n0.202369 0.750000 0.664607 Se\n0.045333 0.750000 0.152186 Se\n0.406092 0.250000 0.098003 Cl\n0.593908 0.750000 0.901997 Cl\n",
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"elements": [
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"density_atomic": 0.03827355747749168,
"volume": 365.78778986597393,
"volume_molar": 15.734468277587117,
"formula_full": "Ag2 Bi4 Se6 Cl2",
"formula_reduced": "AgBi2Se3Cl",
"formula_anonymous": "ABC2D3",
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{
"id": "jvasp-10020",
"created_at": "2022-09-04T14:38:32.234901Z",
"updated_at": "2022-09-04T14:38:32.234931Z",
"structure_string": "Ba2 Se2 O6\n1.0\n0.000000 4.729103 -0.048549\n5.699981 0.000000 0.000000\n0.000000 -2.089079 -6.558543\nBa Se O\n2 2 6\ndirect\n0.657605 0.250000 0.293680 Ba\n0.342394 0.750000 0.706319 Ba\n0.066533 0.750000 0.159107 Se\n0.933466 0.250000 0.840892 Se\n0.823461 0.015386 0.677414 O\n0.176538 0.515386 0.322586 O\n0.176538 0.984614 0.322586 O\n0.823461 0.484614 0.677414 O\n0.312024 0.250000 0.881364 O\n0.687975 0.750000 0.118636 O\n",
"nsites": 10,
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"density": 4.948511169662862,
"density_atomic": 0.056379681545619016,
"volume": 177.36886278629663,
"volume_molar": 10.681402581402041,
"formula_full": "Ba2 Se2 O6",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-59039",
"created_at": "2022-09-04T14:38:31.785185Z",
"updated_at": "2022-09-04T14:38:31.785201Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n0.000000 6.599807 0.018754\n11.386083 0.000000 0.000000\n0.000000 -2.261818 -9.668311\nTa Te Br\n2 2 18\ndirect\n0.636830 0.250000 0.136263 Ta\n0.363170 0.750000 0.863737 Ta\n0.758791 0.250000 0.540005 Te\n0.241209 0.750000 0.459996 Te\n0.965504 0.418761 0.676599 Br\n0.034496 0.918760 0.323401 Br\n0.243143 0.590105 0.990634 Br\n0.756857 0.090105 0.009367 Br\n0.756857 0.409895 0.009367 Br\n0.243143 0.909895 0.990634 Br\n0.001922 0.250000 0.314399 Br\n-0.001922 0.750000 0.685601 Br\n0.543507 0.750000 0.339272 Br\n0.965504 0.081239 0.676599 Br\n0.277071 0.250000 -0.000115 Br\n0.722929 0.750000 0.000115 Br\n0.466454 0.905666 0.693591 Br\n0.533546 0.405666 0.306410 Br\n0.533546 0.094334 0.306410 Br\n0.466454 0.594334 0.693591 Br\n0.456494 0.250000 0.660728 Br\n0.034496 0.581239 0.323401 Br\n",
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},
{
"id": "jvasp-24426",
"created_at": "2022-09-04T14:38:31.850565Z",
"updated_at": "2022-09-04T14:38:31.850601Z",
"structure_string": "K2 Ho2 Be2 F12\n1.0\n0.000000 6.316964 -0.013548\n5.846745 0.000000 0.000000\n0.000000 -2.710090 -6.391269\nK Ho Be F\n2 2 2 12\ndirect\n0.569513 0.250000 0.207144 K\n0.430487 0.750001 0.792856 K\n0.885101 0.250000 0.821310 Ho\n0.114899 0.750001 0.178691 Ho\n0.264421 0.250000 0.534379 Be\n0.735579 0.750001 0.465622 Be\n0.273093 0.035694 0.401776 F\n0.726906 0.964307 0.598225 F\n0.957615 0.750001 0.422266 F\n0.820631 0.998129 0.040933 F\n0.179368 0.001872 0.959068 F\n0.273093 0.464307 0.401776 F\n0.820631 0.501872 0.040933 F\n0.042385 0.250000 0.577734 F\n0.726906 0.535694 0.598225 F\n0.484246 0.250000 0.744623 F\n0.179368 0.498128 0.959068 F\n0.515754 0.750001 0.255378 F\n",
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"volume": 236.2677400655766,
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{
"id": "jvasp-19359",
"created_at": "2022-09-04T14:38:31.867284Z",
"updated_at": "2022-09-04T14:38:31.867313Z",
"structure_string": "Zn4 Ag2 Sb2 O12\n1.0\n0.000000 5.458489 -0.020605\n7.723585 0.000000 0.000000\n0.000000 -0.707754 -5.497285\nZn Ag Sb O\n4 2 2 12\ndirect\n0.542906 0.250000 0.511712 Zn\n0.457095 0.750000 0.488290 Zn\n0.016042 0.250000 0.058805 Zn\n0.983959 0.750000 0.941196 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.343241 0.437030 0.659773 O\n0.891547 0.250000 0.399327 O\n0.656760 0.937031 0.340228 O\n0.603660 0.750000 0.874101 O\n0.800489 0.074110 0.878689 O\n0.199512 0.925890 0.121313 O\n0.800489 0.425890 0.878689 O\n0.343241 0.062970 0.659773 O\n0.396342 0.250000 0.125901 O\n0.656760 0.562970 0.340228 O\n0.199512 0.574111 0.121313 O\n0.108454 0.750000 0.600675 O\n",
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{
"id": "jvasp-44541",
"created_at": "2022-09-04T14:38:31.932221Z",
"updated_at": "2022-09-04T14:38:31.932230Z",
"structure_string": "K6 Be2 P2 C2 O14\n1.0\n0.000000 5.275826 0.021828\n8.063250 0.000000 0.000000\n0.000000 -0.665200 -8.970031\nK Be P C O\n6 2 2 2 14\ndirect\n0.203101 0.750000 0.079916 K\n0.737282 0.982398 0.296514 K\n0.737282 0.517602 0.296514 K\n0.262719 0.482398 0.703486 K\n0.262719 0.017602 0.703486 K\n0.796900 0.250000 0.920083 K\n0.211098 0.250000 0.372690 Be\n0.788903 0.750000 0.627310 Be\n0.736669 0.250000 0.561880 P\n0.263331 0.750000 0.438119 P\n0.341136 0.250000 0.101862 C\n0.658865 0.750000 0.898138 C\n0.428547 0.750000 0.844179 O\n0.758783 0.091311 0.655461 O\n0.758783 0.408689 0.655461 O\n0.471624 0.250000 0.468739 O\n0.046071 0.750000 0.548856 O\n0.953930 0.250000 0.451144 O\n0.718929 0.750000 0.040519 O\n0.241218 0.591311 0.344539 O\n0.241218 0.908689 0.344539 O\n0.571454 0.250000 0.155820 O\n0.156893 0.250000 0.195004 O\n0.843107 0.750000 0.804996 O\n0.528376 0.750000 0.531261 O\n0.281072 0.250000 0.959481 O\n",
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{
"id": "jvasp-44589",
"created_at": "2022-09-04T14:38:32.203402Z",
"updated_at": "2022-09-04T14:38:32.203431Z",
"structure_string": "Li4 Cr2 As2 C2 O14\n1.0\n0.000000 5.034169 -0.002836\n6.508050 0.000000 0.000000\n0.000000 -0.519804 -8.459558\nLi Cr As C O\n4 2 2 2 14\ndirect\n0.781496 0.491817 0.215933 Li\n0.781496 0.008183 0.215933 Li\n0.218505 0.508183 0.784068 Li\n0.218505 0.991817 0.784068 Li\n0.207051 0.250000 0.330956 Cr\n0.792950 0.750000 0.669045 Cr\n0.282153 0.750000 0.417132 As\n0.717848 0.250000 0.582868 As\n0.279105 0.250000 0.048350 C\n0.720896 0.750000 0.951650 C\n0.524605 0.750000 0.841042 O\n0.829127 0.046100 0.694501 O\n0.829127 0.453900 0.694501 O\n0.161663 0.750000 0.603710 O\n0.375185 0.250000 0.549756 O\n0.624816 0.750000 0.450244 O\n0.043197 0.250000 0.106824 O\n0.170874 0.546100 0.305500 O\n0.170874 0.953900 0.305500 O\n0.475396 0.250000 0.158958 O\n0.956804 0.750000 0.893176 O\n0.686206 0.750000 0.097663 O\n0.838338 0.250000 0.396290 O\n0.313795 0.250000 0.902338 O\n",
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]
}