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{
"id": "jvasp-21262",
"created_at": "2022-09-04T14:38:09.477803Z",
"updated_at": "2022-09-04T14:38:09.477816Z",
"structure_string": "Ti4 Cd4 O12\n1.0\n5.348210 0.000000 0.000000\n0.000000 5.470295 0.000000\n0.000000 0.000000 7.740806\nTi Cd O\n4 4 12\ndirect\n0.499279 0.007809 0.507229 Ti\n0.500721 0.992192 0.007229 Ti\n0.000721 0.507809 0.507229 Ti\n0.999279 0.492192 0.007229 Ti\n0.509466 0.461913 0.755611 Cd\n0.490534 0.538088 0.255611 Cd\n0.990534 0.961913 0.755611 Cd\n0.009466 0.038088 0.255611 Cd\n0.092481 0.529527 0.744007 O\n0.907519 0.470474 0.244007 O\n0.302997 0.308367 0.042409 O\n0.697003 0.691634 0.542409 O\n0.197003 0.808367 0.042409 O\n0.204667 0.783977 0.445846 O\n0.295333 0.283977 0.445846 O\n0.704667 0.716024 0.945846 O\n0.592481 0.970475 0.244007 O\n0.795333 0.216024 0.945846 O\n0.802997 0.191634 0.542409 O\n0.407519 0.029526 0.744007 O\n",
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{
"id": "jvasp-18082",
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"updated_at": "2022-09-04T14:38:09.468145Z",
"structure_string": "Mn1 Sn1 Pt1\n1.0\n3.801151 0.000000 2.194596\n1.267050 3.583760 2.194596\n-0.000000 0.000000 4.389192\nMn Sn Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500001 Sn\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-52096",
"created_at": "2022-09-04T14:38:09.466026Z",
"updated_at": "2022-09-04T14:38:09.466055Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
"nsites": 10,
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"volume": 188.3384310878729,
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"formula_full": "Dy4 Co2 Si4",
"formula_reduced": "Dy2CoSi2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-18356",
"created_at": "2022-09-04T14:38:09.462003Z",
"updated_at": "2022-09-04T14:38:09.462033Z",
"structure_string": "U2 Br6\n1.0\n3.975473 -6.885722 0.000000\n3.975473 6.885722 0.000000\n0.000000 -0.000000 4.363226\nU Br\n2 6\ndirect\n0.666667 0.333333 0.750001 U\n0.333333 0.666667 0.250000 U\n0.298415 0.914956 0.750001 Br\n0.383458 0.298415 0.250000 Br\n0.701584 0.085043 0.250000 Br\n0.616541 0.701584 0.750001 Br\n0.085043 0.383458 0.750001 Br\n0.914956 0.616541 0.250000 Br\n",
"nsites": 8,
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"elements": [
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"volume": 238.87791359776858,
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"formula_full": "U2 Br6",
"formula_reduced": "UBr3",
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{
"id": "jvasp-104",
"created_at": "2022-09-04T14:38:09.460873Z",
"updated_at": "2022-09-04T14:38:09.460902Z",
"structure_string": "Ti2 O4\n1.0\n3.571590 -0.000000 -1.320816\n-0.488453 3.538031 -1.320816\n0.010453 0.011995 5.517600\nTi O\n2 4\ndirect\n0.875000 0.625000 0.249999 Ti\n0.125000 0.375001 0.750000 Ti\n0.332854 0.582854 0.165708 O\n0.082854 0.832855 0.665708 O\n0.917146 0.167146 0.334291 O\n0.667146 0.417147 0.834291 O\n",
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"elements": [
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"volume": 69.83575115073458,
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{
"id": "jvasp-47261",
"created_at": "2022-09-04T14:38:09.460626Z",
"updated_at": "2022-09-04T14:38:09.460650Z",
"structure_string": "Li4 Si2 Ni1 O7\n1.0\n4.433264 -0.002966 0.012460\n-2.180897 4.779417 -0.024209\n-0.133505 -1.133168 6.646994\nLi Si Ni O\n4 2 1 7\ndirect\n0.134366 0.298071 0.435774 Li\n0.705329 0.430968 0.144033 Li\n0.283853 0.583103 0.852770 Li\n0.839953 0.705529 0.566383 Li\n0.587631 0.152139 0.709148 Si\n0.430473 0.850049 0.286949 Si\n0.009790 0.023239 0.005197 Ni\n0.766281 0.106893 0.226569 O\n0.405146 0.268734 0.887418 O\n0.915583 0.408672 0.652364 O\n0.501312 0.589407 0.343188 O\n0.129481 0.737577 0.104745 O\n0.670069 0.895264 0.774603 O\n0.311160 0.999370 0.498038 O\n",
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"formula_full": "Li4 Si2 Ni1 O7",
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{
"id": "jvasp-14489",
"created_at": "2022-09-04T14:38:09.458995Z",
"updated_at": "2022-09-04T14:38:09.459019Z",
"structure_string": "Dy1 Zn1\n1.0\n3.545243 -0.000000 -0.000000\n-0.000000 3.545243 -0.000000\n0.000000 -0.000000 3.545243\nDy Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Zn\n",
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"formula_full": "Dy1 Zn1",
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"spacegroup": 221
},
{
"id": "jvasp-109925",
"created_at": "2022-09-04T14:38:09.458104Z",
"updated_at": "2022-09-04T14:38:09.458123Z",
"structure_string": "Ba6 Sr2\n1.0\n8.665964 0.000000 0.000000\n-4.332982 7.504945 0.000000\n-0.000000 -0.000000 7.118969\nBa Sr\n6 2\ndirect\n0.166978 0.333956 0.250000 Ba\n0.666044 0.833022 0.250000 Ba\n0.166978 0.833022 0.250000 Ba\n0.833022 0.666044 0.750000 Ba\n0.333956 0.166978 0.750000 Ba\n0.833022 0.166978 0.750000 Ba\n0.333333 0.666666 0.750000 Sr\n0.666666 0.333333 0.250000 Sr\n",
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"density_atomic": 0.017278597611482996,
"volume": 463.0005385786267,
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"formula_full": "Ba6 Sr2",
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{
"id": "jvasp-108937",
"created_at": "2022-09-04T14:38:09.456674Z",
"updated_at": "2022-09-04T14:38:09.456701Z",
"structure_string": "Ho3 Mn3 Ga2 Ge1\n1.0\n6.889747 0.000000 0.000000\n-3.444874 5.966696 0.000000\n-0.000000 -0.000000 4.113148\nHo Mn Ga Ge\n3 3 2 1\ndirect\n0.420755 0.419323 0.500000 Ho\n0.580677 0.001431 0.500000 Ho\n0.998569 0.579246 0.500000 Ho\n0.777927 0.773428 -0.000000 Mn\n0.226572 0.004498 -0.000000 Mn\n0.995502 0.222074 -0.000000 Mn\n0.333334 0.666667 -0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333334 -0.000000 Ge\n",
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"volume": 169.0875075223242,
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"formula_full": "Ho3 Mn3 Ga2 Ge1",
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{
"id": "jvasp-45932",
"created_at": "2022-09-04T14:38:09.452812Z",
"updated_at": "2022-09-04T14:38:09.452839Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n-2.869840 1.603264 4.695604\n-2.869840 4.961480 -0.053629\n-2.869840 -1.603264 -4.695604\nLi V Co O\n2 2 2 8\ndirect\n0.750000 0.122519 0.627481 Li\n0.250000 0.877482 0.372518 Li\n0.500000 0.500000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.526686 0.738674 0.788010 O\n0.973314 0.738674 0.234641 O\n0.976855 0.282607 0.240536 O\n0.523144 0.736320 0.240536 O\n0.476855 0.263680 0.759464 O\n0.023144 0.717393 0.759464 O\n0.026686 0.261326 0.765359 O\n0.473314 0.261326 0.211989 O\n",
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"created_at": "2022-09-04T14:38:09.450252Z",
"updated_at": "2022-09-04T14:38:09.450262Z",
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"created_at": "2022-09-04T14:38:09.449438Z",
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"structure_string": "Y1 In1 Au2\n1.0\n4.281696 -0.000000 2.472039\n1.427232 4.036822 2.472039\n0.000000 0.000000 4.944077\nY In Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 In\n0.750000 0.750000 0.750001 Au\n0.250000 0.250000 0.250000 Au\n",
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}