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{
"id": "jvasp-40520",
"created_at": "2022-09-04T14:37:51.207941Z",
"updated_at": "2022-09-04T14:37:51.207971Z",
"structure_string": "Rb2 Tl6\n1.0\n4.013112 -6.950914 -0.000000\n4.013112 6.950914 0.000000\n0.000000 0.000000 5.354540\nRb Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.717432 0.858715 0.250000 Tl\n0.141284 0.858715 0.250000 Tl\n0.141284 0.282568 0.250000 Tl\n0.282568 0.141284 0.750000 Tl\n0.858715 0.141284 0.750000 Tl\n0.858715 0.717432 0.750000 Tl\n",
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{
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"structure_string": "Yb2 Tl1 Cd1\n1.0\n0.000000 3.761379 3.761379\n3.761379 0.000000 3.761379\n3.761379 3.761379 0.000000\nYb Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Cd\n",
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"structure_string": "Yb2 Cu2 Ge2\n1.0\n2.147266 -3.719174 -0.000000\n2.147266 3.719174 -0.000000\n0.000000 0.000000 6.963708\nYb Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.995704 Yb\n0.000000 0.000000 0.495704 Yb\n0.666668 0.333334 0.245625 Cu\n0.333334 0.666668 0.745625 Cu\n0.666668 0.333334 0.745772 Ge\n0.333334 0.666668 0.245771 Ge\n",
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{
"id": "jvasp-10726",
"created_at": "2022-09-04T14:37:28.850924Z",
"updated_at": "2022-09-04T14:37:28.850946Z",
"structure_string": "K4 Te2 O2 F8\n1.0\n5.760387 0.000000 -2.594369\n0.000000 6.632906 0.000000\n-0.128722 -0.000000 7.406395\nK Te O F\n4 2 2 8\ndirect\n0.555666 0.750000 0.111332 K\n0.444335 0.250000 0.888669 K\n0.244895 0.750000 0.489790 K\n0.755106 0.250000 0.510210 K\n0.893621 0.750000 0.787240 Te\n0.106380 0.250000 0.212759 Te\n0.241492 0.250000 0.482985 O\n0.758509 0.750000 0.517015 O\n0.351547 0.469070 0.220309 F\n0.131238 0.530931 0.779691 F\n0.351547 0.030930 0.220309 F\n0.131238 0.969070 0.779691 F\n0.648454 0.969070 0.779691 F\n0.868762 0.030930 0.220309 F\n0.868762 0.469070 0.220309 F\n0.648454 0.530931 0.779691 F\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.05698629810807871,
"volume": 280.7692468399127,
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"formula_full": "K4 Te2 O2 F8",
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"spacegroup": 63
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{
"id": "jvasp-109854",
"created_at": "2022-09-04T14:38:17.815546Z",
"updated_at": "2022-09-04T14:38:17.815570Z",
"structure_string": "K2 Y1 Ag1 F6\n1.0\n5.557927 -0.000000 3.208871\n1.852642 5.240064 3.208871\n-0.000000 -0.000000 6.417741\nK Y Ag F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.737261 0.262739 0.262739 F\n0.262739 0.262739 0.737261 F\n0.262739 0.737260 0.737261 F\n0.262739 0.737260 0.262739 F\n0.737261 0.262739 0.737260 F\n0.737261 0.737260 0.262739 F\n",
"nsites": 10,
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"density_atomic": 0.05350179883076819,
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"formula_full": "K2 Y1 Ag1 F6",
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{
"id": "jvasp-108865",
"created_at": "2022-09-04T14:38:12.321696Z",
"updated_at": "2022-09-04T14:38:12.321719Z",
"structure_string": "K1 Rb2 Ga1 Br6\n1.0\n6.846323 -0.000000 3.952726\n2.282108 6.454775 3.952726\n-0.000000 -0.000000 7.905453\nK Rb Ga Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.771662 0.228338 0.228338 Br\n0.228338 0.228338 0.771662 Br\n0.228338 0.771663 0.771662 Br\n0.228338 0.771663 0.228338 Br\n0.771662 0.228338 0.771662 Br\n0.771662 0.771663 0.228339 Br\n",
"nsites": 10,
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"formula_full": "K1 Rb2 Ga1 Br6",
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{
"id": "jvasp-40601",
"created_at": "2022-09-04T14:37:57.339284Z",
"updated_at": "2022-09-04T14:37:57.339312Z",
"structure_string": "Sc1 Zn1 Cu2\n1.0\n-0.000000 3.096890 3.096890\n3.096890 0.000000 3.096890\n3.096890 3.096890 0.000000\nSc Zn Cu\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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},
{
"id": "jvasp-109875",
"created_at": "2022-09-04T14:37:58.886195Z",
"updated_at": "2022-09-04T14:37:58.886229Z",
"structure_string": "Rb2 Cu1 Au1 Cl6\n1.0\n6.096746 -0.000000 3.519958\n2.032249 5.748067 3.519958\n-0.000000 -0.000000 7.039916\nRb Cu Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.742891 0.257110 0.257110 Cl\n0.257110 0.257110 0.742891 Cl\n0.257110 0.742891 0.742891 Cl\n0.257110 0.742891 0.257110 Cl\n0.742891 0.257110 0.742891 Cl\n0.742891 0.742891 0.257110 Cl\n",
"nsites": 10,
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"volume": 246.71036787109614,
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{
"id": "jvasp-28429",
"created_at": "2022-09-04T14:36:59.209392Z",
"updated_at": "2022-09-04T14:36:59.209407Z",
"structure_string": "Tb2 Ga2 I2\n1.0\n-2.094277 -3.627394 -0.000000\n-2.094277 3.627394 0.000000\n-0.000000 0.000000 -11.453060\nTb Ga I\n2 2 2\ndirect\n0.000000 0.000000 0.824014 Tb\n0.000000 0.000000 0.175986 Tb\n0.666668 0.333334 0.968645 Ga\n0.333334 0.666668 0.031355 Ga\n0.666668 0.333334 0.350869 I\n0.333334 0.666668 0.649131 I\n",
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"volume": 174.01247539184394,
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},
{
"id": "jvasp-40387",
"created_at": "2022-09-04T14:37:57.832590Z",
"updated_at": "2022-09-04T14:37:57.832624Z",
"structure_string": "Tb2 Hg6\n1.0\n3.318644 -5.748059 0.000000\n3.318644 5.748059 0.000000\n-0.000000 0.000000 5.000669\nTb Hg\n2 6\ndirect\n0.333332 0.666666 0.250000 Tb\n0.666666 0.333332 0.750000 Tb\n0.166781 0.833218 0.750000 Hg\n0.666436 0.833218 0.750000 Hg\n0.166781 0.333563 0.750000 Hg\n0.833218 0.166781 0.250000 Hg\n0.333563 0.166781 0.250000 Hg\n0.833218 0.666436 0.250000 Hg\n",
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{
"id": "jvasp-21711",
"created_at": "2022-09-04T14:38:31.170558Z",
"updated_at": "2022-09-04T14:38:31.170582Z",
"structure_string": "Ce2 Zn6 Ge3\n1.0\n3.842797 -6.655919 0.000000\n3.842797 6.655919 -0.000000\n0.000000 -0.000000 4.062591\nCe Zn Ge\n2 6 3\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.000000 Ce\n0.000000 0.279003 0.500000 Zn\n0.279003 0.000000 0.500000 Zn\n0.000000 0.810215 0.000000 Zn\n0.189786 0.189786 0.000000 Zn\n0.720998 0.720998 0.500000 Zn\n0.810215 0.000000 0.000000 Zn\n0.000000 0.607743 0.500000 Ge\n0.392258 0.392258 0.500000 Ge\n0.607743 0.000000 0.500000 Ge\n",
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{
"id": "jvasp-54976",
"created_at": "2022-09-04T14:38:10.749855Z",
"updated_at": "2022-09-04T14:38:10.749870Z",
"structure_string": "K8 Cu4 Br12\n1.0\n4.300463 0.000000 0.000000\n0.000000 12.518902 0.000000\n0.000000 0.000000 13.169985\nK Cu Br\n8 4 12\ndirect\n0.250000 0.177680 0.514759 K\n0.250000 0.513724 0.321975 K\n0.749999 0.822320 0.485240 K\n0.749999 0.486276 0.678024 K\n0.749999 0.986275 0.821975 K\n0.250000 0.677679 0.985240 K\n0.749999 0.322320 0.014760 K\n0.250000 0.013724 0.178025 K\n0.250000 0.255280 0.802458 Cu\n0.250000 0.755280 0.697542 Cu\n0.749999 0.744720 0.197542 Cu\n0.749999 0.244720 0.302458 Cu\n0.749999 0.370394 0.447516 Br\n0.749999 0.722322 0.793547 Br\n0.749999 0.222322 0.706452 Br\n0.250000 0.443120 0.862732 Br\n0.250000 0.943120 0.637267 Br\n0.250000 0.777678 0.293547 Br\n0.250000 0.277678 0.206452 Br\n0.250000 0.629606 0.552484 Br\n0.250000 0.129606 0.947515 Br\n0.749999 0.056880 0.362732 Br\n0.749999 0.870394 0.052484 Br\n0.749999 0.556880 0.137268 Br\n",
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}