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{
"id": "jvasp-105690",
"created_at": "2022-09-04T14:36:06.986356Z",
"updated_at": "2022-09-04T14:36:06.986386Z",
"structure_string": "K1 Rb2 As1 Cl6\n1.0\n6.610920 -0.000000 3.816816\n2.203640 6.232835 3.816816\n-0.000000 -0.000000 7.633632\nK Rb As Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.768419 0.231581 0.231581 Cl\n0.231581 0.231581 0.768419 Cl\n0.231581 0.768419 0.768420 Cl\n0.231581 0.768419 0.231581 Cl\n0.768419 0.231581 0.768420 Cl\n0.768420 0.768419 0.231582 Cl\n",
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{
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"structure_string": "K4 Sn2 Br12\n1.0\n7.548836 0.000000 0.000000\n0.000000 7.373200 -0.047778\n0.000000 -0.035262 10.489974\nK Sn Br\n4 2 12\ndirect\n0.437386 0.981725 0.251921 K\n0.062614 0.481725 0.751921 K\n0.937386 0.518275 0.248078 K\n0.562615 0.018275 0.748078 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.701640 0.790292 0.462215 Br\n-0.002718 0.928927 0.752324 Br\n0.201640 0.709708 0.037785 Br\n0.298360 0.209708 0.537785 Br\n0.497282 0.571074 0.747675 Br\n0.002718 0.071074 0.247675 Br\n0.289533 0.199682 0.968984 Br\n0.710468 0.800319 0.031015 Br\n0.210467 0.699681 0.468984 Br\n0.502718 0.428927 0.252324 Br\n0.789533 0.300319 0.531015 Br\n0.798360 0.290292 0.962215 Br\n",
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"formula_full": "K4 Sn2 Br12",
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{
"id": "jvasp-64547",
"created_at": "2022-09-04T14:35:57.969280Z",
"updated_at": "2022-09-04T14:35:57.969304Z",
"structure_string": "Ba4 Zn1 Sb1\n1.0\n0.000000 5.006421 5.006421\n5.006421 -0.000000 5.006421\n5.006421 5.006421 0.000000\nBa Zn Sb\n4 1 1\ndirect\n0.129257 0.623581 0.623581 Ba\n0.623581 0.623581 0.623581 Ba\n0.623581 0.129257 0.623581 Ba\n0.623581 0.623581 0.129257 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
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"volume": 250.96438740669583,
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"formula_full": "Ba4 Zn1 Sb1",
"formula_reduced": "Ba4ZnSb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-93057",
"created_at": "2022-09-04T14:35:57.933780Z",
"updated_at": "2022-09-04T14:35:57.933812Z",
"structure_string": "Na1 Hf1 Mg6\n1.0\n6.461070 -0.000428 0.000000\n-3.230905 5.595236 0.000000\n0.000000 0.000000 5.108769\nNa Hf Mg\n1 1 6\ndirect\n0.083305 0.416695 0.250000 Na\n0.416680 0.083320 0.750000 Hf\n0.093532 0.921821 0.250000 Mg\n0.578180 0.406469 0.250000 Mg\n0.578202 0.921800 0.250000 Mg\n0.424812 0.587377 0.750000 Mg\n0.912623 0.075188 0.750000 Mg\n0.912670 0.587331 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-107898",
"created_at": "2022-09-04T14:36:03.987112Z",
"updated_at": "2022-09-04T14:36:03.987137Z",
"structure_string": "Ca1 Ag3\n1.0\n4.237288 0.000000 2.446400\n1.412429 3.994954 2.446400\n-0.000000 -0.000000 4.892799\nCa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "jvasp-18490",
"created_at": "2022-09-04T14:35:57.905299Z",
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"structure_string": "Cu1 Au1 F5\n1.0\n3.789529 -0.057319 0.004978\n-1.617460 4.702691 0.001272\n-0.806498 -0.284152 5.418554\nCu Au F\n1 1 5\ndirect\n-0.000000 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 F\n0.853377 0.129310 0.673673 F\n0.186054 0.725122 0.845353 F\n0.813946 0.274878 0.154646 F\n0.146622 0.870690 0.326326 F\n",
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{
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"created_at": "2022-09-04T14:35:57.886867Z",
"updated_at": "2022-09-04T14:35:57.886893Z",
"structure_string": "Rb2 Cu1 F6\n1.0\n5.131300 -0.000000 2.962557\n1.710433 4.837836 2.962557\n-0.000000 -0.000000 5.925115\nRb Cu F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.000000 0.000000 0.000000 Cu\n0.778309 0.221691 0.221691 F\n0.221690 0.778310 0.778309 F\n0.221690 0.778310 0.221691 F\n0.778309 0.221691 0.778309 F\n0.221690 0.221691 0.778309 F\n0.778309 0.778310 0.221691 F\n",
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"formula_full": "Rb2 Cu1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-91944",
"created_at": "2022-09-04T14:35:57.025889Z",
"updated_at": "2022-09-04T14:35:57.025916Z",
"structure_string": "Ca1 Zn3 Se4\n1.0\n5.932553 -0.000000 -0.000000\n0.000000 5.932553 0.000000\n-0.000000 0.000000 5.932553\nCa Zn Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.731520 0.731520 0.268479 Se\n0.731520 0.268479 0.731520 Se\n0.268479 0.731520 0.731520 Se\n0.268479 0.268479 0.268479 Se\n",
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"formula_full": "Ca1 Zn3 Se4",
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},
{
"id": "jvasp-91895",
"created_at": "2022-09-04T14:36:06.990515Z",
"updated_at": "2022-09-04T14:36:06.990554Z",
"structure_string": "Mg7 Cr1\n1.0\n6.287831 0.000000 0.000000\n-3.143916 5.445421 -0.000000\n-0.000000 0.000000 5.025923\nMg Cr\n7 1\ndirect\n0.167995 0.833998 0.250000 Mg\n0.666002 0.332005 0.250000 Mg\n0.666002 0.833998 0.250000 Mg\n0.328199 0.171801 0.750000 Mg\n0.328198 0.656400 0.750000 Mg\n0.843600 0.171801 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cr\n",
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{
"id": "jvasp-94336",
"created_at": "2022-09-04T14:36:04.115971Z",
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"structure_string": "Dy1 In1 Cu4\n1.0\n-3.621049 -3.621049 0.000000\n-3.621049 -0.000000 -3.621049\n-0.000000 -3.621049 -3.621049\nDy In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.750000 0.750000 In\n0.874410 0.375197 0.375197 Cu\n0.375197 0.874410 0.375197 Cu\n0.375197 0.375197 0.874410 Cu\n0.375197 0.375197 0.375197 Cu\n",
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{
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"created_at": "2022-09-04T14:36:09.619904Z",
"updated_at": "2022-09-04T14:36:09.619936Z",
"structure_string": "Ba1 Mg1 Te1\n1.0\n-0.000000 4.041344 4.041344\n4.041344 0.000000 4.041344\n4.041344 4.041344 0.000000\nBa Mg Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Te\n",
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{
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"created_at": "2022-09-04T14:36:05.785706Z",
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"structure_string": "Ce1 Mg6 Cd1\n1.0\n6.884958 -0.307869 0.000000\n-3.709102 5.808614 0.000000\n0.000000 0.000000 5.027364\nCe Mg Cd\n1 6 1\ndirect\n0.190548 0.309451 0.250000 Ce\n0.172193 0.812520 0.250000 Mg\n0.687479 0.327807 0.250000 Mg\n0.650695 0.849304 0.250000 Mg\n0.315437 0.672167 0.749999 Mg\n0.827833 0.184563 0.749999 Mg\n0.804266 0.695733 0.749999 Mg\n0.351547 0.148453 0.749999 Cd\n",
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