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{
"id": "jvasp-103269",
"created_at": "2022-09-04T14:36:43.575777Z",
"updated_at": "2022-09-04T14:36:43.575802Z",
"structure_string": "Li1 Yb1 Au2\n1.0\n4.164147 0.000000 2.404171\n1.388049 3.925994 2.404171\n0.000000 0.000000 4.808342\nYb Li Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.499999 0.499999 Li\n0.750001 0.749999 0.749999 Au\n0.250000 0.250000 0.250000 Au\n",
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{
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"structure_string": "Yb2 Tl1 Zn1\n1.0\n4.523137 -0.000000 2.611434\n1.507712 4.264455 2.611434\n-0.000000 -0.000000 5.222869\nYb Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.749999 0.749999 Yb\n0.500000 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Zn\n",
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{
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"structure_string": "K2 Y1 Au1 Br6\n1.0\n6.831081 -0.000000 3.943927\n2.277027 6.440405 3.943927\n-0.000000 -0.000000 7.887853\nK Y Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.751865 0.248135 0.248135 Br\n0.248135 0.248135 0.751865 Br\n0.248135 0.751866 0.751865 Br\n0.248135 0.751866 0.248135 Br\n0.751865 0.248135 0.751865 Br\n0.751865 0.751866 0.248135 Br\n",
"nsites": 10,
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"formula_full": "K2 Y1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-103647",
"created_at": "2022-09-04T14:36:51.705478Z",
"updated_at": "2022-09-04T14:36:51.705497Z",
"structure_string": "Pr3 Mg3 In3\n1.0\n7.728246 0.000000 0.000000\n-3.864123 6.692857 0.000000\n-0.000000 -0.000000 4.765412\nPr Mg In\n3 3 3\ndirect\n0.571950 -0.000000 -0.000000 Pr\n0.000000 0.571950 -0.000000 Pr\n0.428051 0.428050 -0.000000 Pr\n0.241888 -0.000000 0.500000 Mg\n0.000000 0.241888 0.500000 Mg\n0.758113 0.758113 0.500000 Mg\n0.333334 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
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"volume": 246.48638634616646,
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"spacegroup": 189
},
{
"id": "jvasp-14691",
"created_at": "2022-09-04T14:36:51.705557Z",
"updated_at": "2022-09-04T14:36:51.705567Z",
"structure_string": "Ce1 Zn5\n1.0\n2.690064 -4.659327 0.000000\n2.690064 4.659327 -0.000000\n0.000000 0.000000 4.250048\nCe Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 -0.000001 0.500000 Zn\n0.333332 0.666666 0.000000 Zn\n0.666666 0.333332 0.000000 Zn\n-0.000001 0.500000 0.500000 Zn\n0.499999 0.499999 0.500000 Zn\n",
"nsites": 6,
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{
"id": "jvasp-1591",
"created_at": "2022-09-04T14:37:03.734786Z",
"updated_at": "2022-09-04T14:37:03.734804Z",
"structure_string": "Hg1 F2\n1.0\n3.434297 -0.000000 1.982792\n1.144766 3.237886 1.982792\n0.000000 0.000000 3.965584\nHg F\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750001 0.750001 0.749997 F\n0.250000 0.250000 0.249999 F\n",
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{
"id": "jvasp-104537",
"created_at": "2022-09-04T14:36:41.624260Z",
"updated_at": "2022-09-04T14:36:41.624287Z",
"structure_string": "K1 Rb2 Tl1 Cl6\n1.0\n6.724581 -0.000000 3.882439\n2.241527 6.339996 3.882439\n-0.000000 -0.000000 7.764877\nK Rb Tl Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.763317 0.236683 0.236683 Cl\n0.236683 0.236683 0.763317 Cl\n0.236683 0.763317 0.763317 Cl\n0.236683 0.763317 0.236683 Cl\n0.763317 0.236683 0.763317 Cl\n0.763317 0.763317 0.236683 Cl\n",
"nsites": 10,
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"density_atomic": 0.0302072511408401,
"volume": 331.0463422631672,
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"formula_full": "K1 Rb2 Tl1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-101507",
"created_at": "2022-09-04T14:36:57.577538Z",
"updated_at": "2022-09-04T14:36:57.577559Z",
"structure_string": "Rb2 Hg1 As1 Cl6\n1.0\n6.486464 -0.000000 3.744962\n2.162155 6.115497 3.744962\n-0.000000 -0.000000 7.489924\nRb Hg As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.763054 0.236945 0.236945 Cl\n0.236945 0.236945 0.763054 Cl\n0.236944 0.763055 0.763054 Cl\n0.236944 0.763055 0.236945 Cl\n0.763054 0.236945 0.763054 Cl\n0.763054 0.763055 0.236945 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.6840557028170844,
"density_atomic": 0.03365757478961599,
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"formula_full": "Rb2 Hg1 As1 Cl6",
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{
"id": "jvasp-49361",
"created_at": "2022-09-04T14:36:58.992695Z",
"updated_at": "2022-09-04T14:36:58.992706Z",
"structure_string": "K12 Cd2 Te8\n1.0\n5.553539 -9.619012 0.000000\n5.553539 9.619012 -0.000000\n0.000000 0.000000 8.161563\nK Cd Te\n12 2 8\ndirect\n0.042276 0.521138 0.022458 K\n0.849966 0.699934 0.212431 K\n0.150034 0.849966 0.712431 K\n0.849966 0.150034 0.212431 K\n0.300067 0.150034 0.212431 K\n0.150034 0.300067 0.712431 K\n0.699934 0.849966 0.712431 K\n0.478862 0.521138 0.022458 K\n0.478862 0.957724 0.022458 K\n0.521138 0.042276 0.522458 K\n0.521138 0.478862 0.522458 K\n0.957724 0.478862 0.522458 K\n0.333333 0.666667 0.398012 Cd\n0.666667 0.333333 0.898012 Cd\n0.333333 0.666667 0.753421 Te\n0.189761 0.379523 0.292793 Te\n0.379523 0.189761 0.792793 Te\n0.810239 0.189761 0.792793 Te\n0.189761 0.810239 0.292793 Te\n0.620478 0.810239 0.292793 Te\n0.810239 0.620478 0.792793 Te\n0.666667 0.333333 0.253421 Te\n",
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{
"id": "jvasp-100573",
"created_at": "2022-09-04T14:36:41.616089Z",
"updated_at": "2022-09-04T14:36:41.616112Z",
"structure_string": "K2 Rb1 Sc1 Cl6\n1.0\n6.721305 0.000000 3.880547\n2.240435 6.336907 3.880547\n-0.000000 0.000000 7.761095\nK Rb Sc Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.774485 0.225515 0.225515 Cl\n0.225516 0.225515 0.774484 Cl\n0.225516 0.774485 0.774484 Cl\n0.225516 0.774485 0.225515 Cl\n0.774485 0.225515 0.774484 Cl\n0.774486 0.774485 0.225515 Cl\n",
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{
"id": "jvasp-49631",
"created_at": "2022-09-04T14:36:42.647820Z",
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"structure_string": "Mg4 Sb4 F20\n1.0\n0.000000 5.607307 0.028622\n10.070110 0.000000 0.000000\n0.000000 -4.020165 -6.900382\nMg Sb F\n4 4 20\ndirect\n0.470083 0.026358 0.189150 Mg\n0.529917 0.526358 0.310850 Mg\n0.529916 0.973642 0.810850 Mg\n0.470083 0.473642 0.689150 Mg\n0.052122 0.777933 0.327783 Sb\n0.947878 0.277933 0.172217 Sb\n0.947878 0.222067 0.672217 Sb\n0.052122 0.722067 0.827783 Sb\n0.195575 0.082459 0.651759 F\n0.161800 0.155006 0.054575 F\n0.838200 0.655006 0.445425 F\n0.691579 0.176565 0.385007 F\n0.161799 0.344994 0.554575 F\n0.308422 0.676565 0.114993 F\n0.804424 0.582459 0.848240 F\n0.838200 0.844994 0.945425 F\n0.804425 0.917541 0.348241 F\n0.644753 0.100498 0.037253 F\n0.355246 0.899502 0.962747 F\n0.644753 0.399502 0.537253 F\n0.691578 0.323435 0.885007 F\n0.355247 0.600498 0.462747 F\n0.282443 0.560588 0.811991 F\n0.717556 0.060588 0.688009 F\n0.717557 0.439412 0.188009 F\n0.282443 0.939412 0.311991 F\n0.195576 0.417541 0.151760 F\n0.308421 0.823435 0.614993 F\n",
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{
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"created_at": "2022-09-04T14:36:42.984834Z",
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"structure_string": "Rb2 Ag1 Au1 Cl6\n1.0\n6.249514 0.000000 3.608159\n2.083171 5.892099 3.608159\n0.000000 -0.000000 7.216318\nRb Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751795 0.248204 0.248205 Cl\n0.248204 0.248204 0.751796 Cl\n0.248204 0.751796 0.751796 Cl\n0.248204 0.751796 0.248205 Cl\n0.751795 0.248204 0.751796 Cl\n0.751795 0.751796 0.248205 Cl\n",
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