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{
"id": "jvasp-29294",
"created_at": "2022-09-04T14:38:01.498356Z",
"updated_at": "2022-09-04T14:38:01.498381Z",
"structure_string": "In8 Te8 Cl8\n1.0\n7.168749 -0.141130 0.000000\n-0.421874 7.425980 0.000000\n0.000000 0.000000 14.258320\nIn Te Cl\n8 8 8\ndirect\n0.125797 0.793128 0.025362 In\n0.374204 0.206872 0.525362 In\n0.874204 0.206872 0.974638 In\n0.625797 0.793128 0.474638 In\n0.127008 0.815002 0.312886 In\n0.372993 0.184999 0.812886 In\n0.872993 0.184999 0.687114 In\n0.627008 0.815002 0.187114 In\n0.768850 0.594098 0.327245 Te\n0.731151 0.405902 0.827245 Te\n0.231151 0.405902 0.672755 Te\n0.268850 0.594098 0.172755 Te\n0.765639 0.163455 0.495791 Te\n0.734362 0.836546 0.995791 Te\n0.234362 0.836545 0.504209 Te\n0.265639 0.163455 0.004209 Te\n0.980981 0.064456 0.234524 Cl\n0.519020 0.935544 0.734524 Cl\n0.019020 0.935544 0.765476 Cl\n0.480980 0.064456 0.265476 Cl\n0.264871 0.387332 0.396204 Cl\n0.235129 0.612668 0.896204 Cl\n0.735130 0.612668 0.603796 Cl\n0.764871 0.387332 0.103796 Cl\n",
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{
"id": "jvasp-39894",
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"structure_string": "Yb1 Pr1 Hg2\n1.0\n0.000000 3.772940 3.772940\n3.772940 0.000000 3.772940\n3.772940 3.772940 0.000000\nYb Pr Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.249999 0.249999 0.249999 Pr\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-36875",
"created_at": "2022-09-04T14:38:01.447745Z",
"updated_at": "2022-09-04T14:38:01.447776Z",
"structure_string": "Tl1 Cu1 Cl3\n1.0\n4.837787 -0.001831 -0.002219\n0.001743 4.837750 -0.002364\n0.002112 0.002309 4.837694\nTl Cu Cl\n1 1 3\ndirect\n0.999996 0.987973 0.002074 Tl\n0.499976 0.488076 0.501946 Cu\n-0.000013 0.487979 0.501962 Cl\n0.500005 0.988022 0.502023 Cl\n0.500032 0.487947 0.001996 Cl\n",
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"formula_full": "Tl1 Cu1 Cl3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-38604",
"created_at": "2022-09-04T14:37:44.472062Z",
"updated_at": "2022-09-04T14:37:44.472083Z",
"structure_string": "K3 Ag1\n1.0\n5.612954 0.000000 -0.000000\n0.000000 5.612954 -0.000000\n0.000000 0.000000 5.612954\nK Ag\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"volume": 176.83753363650925,
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"formula_full": "K3 Ag1",
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"spacegroup": 221
},
{
"id": "jvasp-38034",
"created_at": "2022-09-04T14:37:56.847447Z",
"updated_at": "2022-09-04T14:37:56.847467Z",
"structure_string": "Rb2 S1 Cl6 F1\n1.0\n-0.000000 4.927394 4.927394\n4.927394 0.000000 4.927394\n4.927394 4.927394 -0.000000\nRb S Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 S\n0.234863 0.765136 0.765136 Cl\n0.234863 0.765136 0.234863 Cl\n0.765136 0.234863 0.765136 Cl\n0.765136 0.765136 0.234863 Cl\n0.234863 0.234863 0.765136 Cl\n0.765136 0.234863 0.234863 Cl\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
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"density": 3.016989911715409,
"density_atomic": 0.04179440369800767,
"volume": 239.2664834329649,
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{
"id": "jvasp-38049",
"created_at": "2022-09-04T14:38:00.844259Z",
"updated_at": "2022-09-04T14:38:00.844292Z",
"structure_string": "Li1 Tl2 In1 Cl6\n1.0\n-0.000000 5.035304 5.035304\n5.035304 0.000000 5.035304\n5.035304 5.035304 0.000000\nLi Tl In Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 In\n0.250783 0.749217 0.749217 Cl\n0.250783 0.749217 0.250783 Cl\n0.749217 0.250783 0.749217 Cl\n0.749217 0.749217 0.250783 Cl\n0.250783 0.250783 0.749217 Cl\n0.749217 0.250783 0.250783 Cl\n",
"nsites": 10,
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"formula_full": "Li1 Tl2 In1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-109255",
"created_at": "2022-09-04T14:37:56.838447Z",
"updated_at": "2022-09-04T14:37:56.838467Z",
"structure_string": "Rb2 Li1 Sb1 F6\n1.0\n5.263763 -0.000000 3.039035\n1.754588 4.962723 3.039035\n-0.000000 -0.000000 6.078070\nRb Li Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sb\n0.742925 0.257074 0.257074 F\n0.257074 0.257074 0.742925 F\n0.257075 0.742925 0.742925 F\n0.257075 0.742925 0.257074 F\n0.742925 0.257074 0.742925 F\n0.742926 0.742925 0.257073 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 4.325894643128662,
"density_atomic": 0.06298221647425081,
"volume": 158.7749774428521,
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"formula_full": "Rb2 Li1 Sb1 F6",
"formula_reduced": "Rb2LiSbF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-41284",
"created_at": "2022-09-04T14:37:44.682163Z",
"updated_at": "2022-09-04T14:37:44.682183Z",
"structure_string": "Na1 Cd2 Pt1\n1.0\n0.000000 3.370961 3.370961\n3.370961 0.000000 3.370961\n3.370961 3.370961 0.000000\nNa Cd Pt\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 Pt\n",
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},
{
"id": "jvasp-40092",
"created_at": "2022-09-04T14:37:57.117460Z",
"updated_at": "2022-09-04T14:37:57.117475Z",
"structure_string": "Ca1 Nd1 Zn2\n1.0\n0.000184 3.655267 3.655267\n3.655267 0.000184 3.655267\n3.655267 3.655267 0.000184\nCa Nd Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.999969 0.999969 0.999969 Zn\n0.500030 0.500030 0.500030 Zn\n",
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},
{
"id": "jvasp-54438",
"created_at": "2022-09-04T14:37:44.484658Z",
"updated_at": "2022-09-04T14:37:44.484675Z",
"structure_string": "K2 Ag6 Te4\n1.0\n4.075223 -0.000000 -0.000000\n-2.037612 8.717954 -3.831910\n-0.000000 0.026819 10.116082\nK Ag Te\n2 6 4\ndirect\n0.390205 0.780411 0.951232 K\n0.609794 0.219589 0.048767 K\n0.687140 0.374280 0.438692 Ag\n0.267080 0.534159 0.103498 Ag\n0.580496 0.160993 0.596057 Ag\n0.312860 0.625719 0.561308 Ag\n0.419503 0.839007 0.403942 Ag\n0.732920 0.465841 0.896502 Ag\n0.528005 0.056010 0.283632 Te\n0.796751 0.593503 0.314720 Te\n0.471995 0.943989 0.716368 Te\n0.203248 0.406497 0.685280 Te\n",
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{
"id": "jvasp-16464",
"created_at": "2022-09-04T14:37:37.468677Z",
"updated_at": "2022-09-04T14:37:37.468704Z",
"structure_string": "Ca2 Ga4\n1.0\n2.236646 -3.873985 0.000000\n2.236646 3.873985 -0.000000\n-0.000000 0.000000 7.344703\nCa Ga\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.333334 0.666668 0.955714 Ga\n0.666668 0.333334 0.455714 Ga\n0.666668 0.333334 0.044285 Ga\n0.333334 0.666668 0.544285 Ga\n",
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{
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}