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{
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{
"id": "jvasp-108852",
"created_at": "2022-09-04T14:38:20.605967Z",
"updated_at": "2022-09-04T14:38:20.605984Z",
"structure_string": "K2 Tl1 Au1 I6\n1.0\n7.303673 -0.000000 4.216778\n2.434558 6.885969 4.216778\n-0.000000 -0.000000 8.433555\nK Tl Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Au\n0.740549 0.259451 0.259451 I\n0.259451 0.259451 0.740550 I\n0.259451 0.740549 0.740550 I\n0.259451 0.740549 0.259451 I\n0.740549 0.259451 0.740550 I\n0.740549 0.740549 0.259451 I\n",
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{
"id": "jvasp-109002",
"created_at": "2022-09-04T14:38:15.494202Z",
"updated_at": "2022-09-04T14:38:15.494229Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.096402 -0.000000 4.097110\n2.365467 6.690552 4.097110\n-0.000000 -0.000000 8.194219\nRb Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757632 0.242368 0.242368 Br\n0.242368 0.242368 0.757632 Br\n0.242369 0.757632 0.757632 Br\n0.242369 0.757632 0.242368 Br\n0.757632 0.242368 0.757632 Br\n0.757632 0.757632 0.242368 Br\n",
"nsites": 10,
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"formula_full": "Rb2 Tl2 Br6",
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"spacegroup": 225
},
{
"id": "jvasp-109891",
"created_at": "2022-09-04T14:38:20.615742Z",
"updated_at": "2022-09-04T14:38:20.615765Z",
"structure_string": "Rb2 Na1 Nd1 F6\n1.0\n5.531597 -0.000000 3.193669\n1.843866 5.215240 3.193669\n-0.000000 -0.000000 6.387338\nRb Na Nd F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.748951 0.251050 0.251050 F\n0.251050 0.251050 0.748950 F\n0.251050 0.748950 0.748950 F\n0.251050 0.748950 0.251050 F\n0.748951 0.251050 0.748950 F\n0.748951 0.748950 0.251050 F\n",
"nsites": 10,
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],
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"density_atomic": 0.05426943125183028,
"volume": 184.26579695660146,
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"formula_full": "Rb2 Na1 Nd1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-25843",
"created_at": "2022-09-04T14:38:29.971341Z",
"updated_at": "2022-09-04T14:38:29.971360Z",
"structure_string": "K1 Rb2 Cr1 F6\n1.0\n5.408698 -0.000000 3.122713\n1.802900 5.099369 3.122713\n0.000000 -0.000000 6.245427\nK Rb Cr F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Cr\n0.217920 0.782080 0.782079 F\n0.217920 0.782080 0.217920 F\n0.782080 0.217920 0.782079 F\n0.217920 0.217920 0.782080 F\n0.782080 0.217920 0.217920 F\n0.782080 0.782080 0.217920 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cr-F-K-Rb",
"density": 3.6248431408524904,
"density_atomic": 0.058053537840101276,
"volume": 172.25479052703594,
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"formula_full": "K1 Rb2 Cr1 F6",
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"spacegroup": 225
},
{
"id": "jvasp-37800",
"created_at": "2022-09-04T14:38:15.835030Z",
"updated_at": "2022-09-04T14:38:15.835048Z",
"structure_string": "Rb3 Pm1\n1.0\n0.000000 5.026775 5.026775\n5.026775 -0.000000 5.026775\n5.026775 5.026775 0.000000\nRb Pm\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Pm\n",
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"volume": 254.03779540877844,
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{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
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"volume": 293.9735074894506,
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"formula_full": "K4 Zn2 Se4",
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"spacegroup": 72
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{
"id": "jvasp-25664",
"created_at": "2022-09-04T14:38:15.485879Z",
"updated_at": "2022-09-04T14:38:15.485903Z",
"structure_string": "Sr4 Cu2 F12\n1.0\n5.450174 -0.000000 -1.891621\n-0.000000 5.764685 -0.000000\n-0.021323 0.000000 8.735948\nSr Cu F\n4 2 12\ndirect\n0.661764 0.500000 0.323528 Sr\n0.161764 0.000000 0.323528 Sr\n0.838236 0.000000 0.676472 Sr\n0.338236 0.500000 0.676472 Sr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.414156 0.167538 0.162561 F\n0.492733 0.250000 0.500000 F\n0.585843 0.832463 0.837439 F\n0.748404 0.832463 0.162561 F\n0.085844 0.667538 0.837439 F\n0.507266 0.750001 0.500000 F\n0.248404 0.667538 0.162561 F\n0.251596 0.167538 0.837439 F\n0.992733 0.250000 0.500000 F\n0.751595 0.332463 0.837439 F\n0.007267 0.750001 0.500000 F\n0.914156 0.332463 0.162561 F\n",
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"density": 4.272191600107349,
"density_atomic": 0.06563637476987107,
"volume": 274.23818062941683,
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"formula_full": "Sr4 Cu2 F12",
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},
{
"id": "jvasp-11111",
"created_at": "2022-09-04T14:38:20.665406Z",
"updated_at": "2022-09-04T14:38:20.665421Z",
"structure_string": "Tb4 Zn4 Sn4\n1.0\n2.249527 -3.896294 0.000000\n2.249527 3.896294 0.000000\n-0.000000 -0.000000 15.959910\nTb Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Tb\n0.000000 0.000000 0.250000 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.666668 0.333334 0.838494 Zn\n0.666668 0.333334 0.661506 Zn\n0.333334 0.666668 0.161506 Zn\n0.333334 0.666668 0.338494 Zn\n0.666668 0.333334 0.112796 Sn\n0.666668 0.333334 0.387204 Sn\n0.333334 0.666668 0.887204 Sn\n0.333334 0.666668 0.612796 Sn\n",
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],
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"density": 8.14434188147012,
"density_atomic": 0.0428921565605663,
"volume": 279.77143054244146,
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},
{
"id": "jvasp-109599",
"created_at": "2022-09-04T14:38:20.766162Z",
"updated_at": "2022-09-04T14:38:20.766177Z",
"structure_string": "Sr1 Mg1 Hg2\n1.0\n4.589699 0.000000 2.649864\n1.529900 4.327210 2.649864\n0.000000 -0.000000 5.299728\nSr Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-114115",
"created_at": "2022-09-04T14:38:25.790833Z",
"updated_at": "2022-09-04T14:38:25.790861Z",
"structure_string": "Ba2 Ag1 Se1\n1.0\n0.000000 4.033831 4.033831\n4.033831 -0.000000 4.033831\n4.033831 4.033831 0.000000\nBa Ag Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-23038",
"created_at": "2022-09-04T14:38:29.590786Z",
"updated_at": "2022-09-04T14:38:29.590795Z",
"structure_string": "K8 Cd12 S16\n1.0\n6.702837 -0.000000 0.000000\n-0.000000 10.233200 0.000000\n0.000000 0.000000 13.794318\nK Cd S\n8 12 16\ndirect\n0.016629 0.250000 0.532083 K\n0.516629 0.750000 0.967918 K\n0.983372 0.750000 0.467917 K\n0.483372 0.250000 0.032083 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.784274 0.250000 0.797312 Cd\n0.284274 0.750000 0.702689 Cd\n0.715726 0.250000 0.297312 Cd\n0.840537 0.590941 0.750602 Cd\n0.340537 0.409059 0.749399 Cd\n0.215726 0.750000 0.202688 Cd\n0.659464 0.909059 0.250601 Cd\n0.159464 0.409059 0.249399 Cd\n0.659464 0.590941 0.250601 Cd\n0.840537 0.909059 0.750602 Cd\n0.340537 0.090941 0.749399 Cd\n0.159464 0.090941 0.249399 Cd\n0.636160 0.750000 0.640840 S\n0.863841 0.750000 0.140840 S\n0.575045 0.250000 0.641626 S\n0.075045 0.750000 0.858374 S\n0.424955 0.750000 0.358374 S\n0.924956 0.250000 0.141626 S\n0.120130 0.530723 0.632073 S\n0.379870 0.969277 0.132072 S\n0.879870 0.030723 0.367928 S\n0.879870 0.469277 0.367928 S\n0.379870 0.530723 0.132072 S\n0.120130 0.969277 0.632073 S\n0.620131 0.030723 0.867928 S\n0.136160 0.250000 0.859160 S\n0.620131 0.469277 0.867928 S\n0.363841 0.250000 0.359160 S\n",
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},
{
"id": "jvasp-21069",
"created_at": "2022-09-04T14:38:15.505511Z",
"updated_at": "2022-09-04T14:38:15.505533Z",
"structure_string": "Ba1 Si1 F6\n1.0\n4.747032 -0.002996 -0.666984\n-0.766838 4.684686 -0.666984\n-0.002547 -0.002996 4.793660\nBa Si F\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Si\n0.745588 0.745589 0.077483 F\n0.745587 0.077481 0.745589 F\n0.254411 0.922518 0.254412 F\n0.254410 0.254411 0.922518 F\n0.922517 0.254411 0.254412 F\n0.077482 0.745589 0.745589 F\n",
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"formula_full": "Ba1 Si1 F6",
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}
]
}