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{
"id": "jvasp-11560",
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"updated_at": "2022-09-04T14:37:19.953485Z",
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{
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"created_at": "2022-09-04T14:38:17.219300Z",
"updated_at": "2022-09-04T14:38:17.219321Z",
"structure_string": "Ti2 Zn2 F8\n1.0\n-5.146193 -0.000058 -0.000790\n-0.000117 -5.146594 -0.014789\n2.569037 2.554125 5.158957\nTi Zn F\n2 2 8\ndirect\n0.002041 0.499647 -0.001730 Ti\n0.502033 -0.000347 -0.001728 Ti\n0.752303 0.749808 0.498243 Zn\n0.251749 0.249410 0.498238 Zn\n0.665526 0.663208 0.753582 F\n0.909831 0.907376 0.243168 F\n0.338659 0.336200 0.243002 F\n0.409832 0.836277 0.243106 F\n0.094195 0.091846 0.753398 F\n0.165450 0.591879 0.753500 F\n0.594216 0.163170 0.753533 F\n0.838742 0.407348 0.243101 F\n",
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"formula_reduced": "TiZnF4",
"formula_anonymous": "ABC4",
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{
"id": "jvasp-118352",
"created_at": "2022-09-04T14:38:49.996818Z",
"updated_at": "2022-09-04T14:38:49.996845Z",
"structure_string": "Ti1 Zn1 F3\n1.0\n4.081467 -0.000000 -0.000000\n-0.000000 4.081467 -0.000000\n0.000000 0.000000 4.081467\nTi Zn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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"formula_full": "Ti1 Zn1 F3",
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},
{
"id": "jvasp-8327",
"created_at": "2022-09-04T14:37:05.815697Z",
"updated_at": "2022-09-04T14:37:05.815733Z",
"structure_string": "Y1 Ti1 F5\n1.0\n3.905369 -0.000000 1.436164\n1.601523 5.317486 1.673000\n0.084220 0.062307 5.799007\nY Ti F\n1 1 5\ndirect\n0.500000 0.500001 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.499999 0.821906 0.178095 F\n0.500000 0.178095 0.821905 F\n0.760470 0.239530 0.239529 F\n0.239529 0.760471 0.760470 F\n-0.000001 0.500001 0.500000 F\n",
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{
"id": "jvasp-87875",
"created_at": "2022-09-04T14:35:58.162845Z",
"updated_at": "2022-09-04T14:35:58.162866Z",
"structure_string": "Ti1 Tl3 F6\n1.0\n5.624032 0.000000 3.247036\n1.874677 5.302388 3.247036\n0.000000 -0.000000 6.494073\nTi Tl F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.212718 0.787282 0.787282 F\n0.212718 0.787282 0.212718 F\n0.787282 0.212718 0.787282 F\n0.212718 0.212718 0.787282 F\n0.787282 0.212718 0.212718 F\n0.787282 0.787282 0.212718 F\n",
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"elements": [
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"density_atomic": 0.051637302485708,
"volume": 193.65845074435805,
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
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{
"id": "jvasp-3099",
"created_at": "2022-09-04T14:35:50.438641Z",
"updated_at": "2022-09-04T14:35:50.438670Z",
"structure_string": "Ti1 Tl2 F6\n1.0\n2.976312 -5.155123 0.000000\n2.976312 5.155123 0.000000\n0.000000 0.000000 4.756025\nTi Tl F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.695102 Tl\n0.333333 0.666667 0.304899 Tl\n0.847490 0.152509 0.222877 F\n0.305017 0.152509 0.222877 F\n0.847490 0.694982 0.222877 F\n0.152509 0.847490 0.777124 F\n0.694982 0.847490 0.777124 F\n0.152509 0.305017 0.777124 F\n",
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"volume": 145.94580345665082,
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"formula_full": "Ti1 Tl2 F6",
"formula_reduced": "TiTl2F6",
"formula_anonymous": "AB2C6",
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"spacegroup": 164
},
{
"id": "jvasp-30594",
"created_at": "2022-09-04T14:37:29.231372Z",
"updated_at": "2022-09-04T14:37:29.231391Z",
"structure_string": "Ti2 F8\n1.0\n4.695130 0.468173 -1.438517\n-1.375636 4.882990 -2.947303\n1.128763 -1.083358 6.170954\nTi F\n2 8\ndirect\n-0.003140 0.523017 -0.008423 Ti\n0.500075 0.175515 0.005919 Ti\n0.849573 0.410321 0.216649 F\n0.647347 0.288195 0.780835 F\n0.104930 0.537740 0.747927 F\n0.149156 0.092888 0.784747 F\n0.347775 0.605637 0.212746 F\n0.391998 0.160792 0.249567 F\n0.889215 0.893272 0.241293 F\n0.607712 0.805256 0.756202 F\n",
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{
"id": "jvasp-79250",
"created_at": "2022-09-04T14:36:37.571879Z",
"updated_at": "2022-09-04T14:36:37.571902Z",
"structure_string": "Ti1 F3\n1.0\n3.934973 -0.033126 0.034981\n0.034375 3.934962 0.034981\n-0.033699 -0.033126 3.934984\nTi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000001 0.500000 -0.000000 F\n-0.000000 -0.000000 0.499999 F\n0.500000 -0.000000 -0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:03.460705Z",
"updated_at": "2022-09-04T14:38:03.460734Z",
"structure_string": "Ti2 F6\n1.0\n4.505727 -0.166103 3.177817\n1.557819 4.231120 3.177817\n-0.247767 -0.166103 5.508060\nTi F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Ti\n0.157085 0.342915 0.750000 F\n0.250000 0.842915 0.657086 F\n0.842915 0.657087 0.250000 F\n0.657085 0.250001 0.842914 F\n0.750000 0.157087 0.342914 F\n0.342914 0.750000 0.157086 F\n",
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{
"id": "jvasp-8025",
"created_at": "2022-09-04T14:37:02.910513Z",
"updated_at": "2022-09-04T14:37:02.910551Z",
"structure_string": "Ti1 F2\n1.0\n3.155687 0.000000 1.821936\n1.051896 2.975210 1.821936\n0.000000 0.000000 3.643874\nTi F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750002 0.750000 0.750000 F\n0.250001 0.250000 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:35:49.701541Z",
"updated_at": "2022-09-04T14:35:49.701571Z",
"structure_string": "Ti2 F6\n1.0\n4.798701 -0.036033 2.832925\n1.600059 4.524228 2.832925\n-0.051371 -0.036033 5.572285\nTi F\n2 6\ndirect\n0.500000 0.500001 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.253221 0.750001 0.246777 F\n0.750000 0.246780 0.253220 F\n0.753221 0.746780 0.249998 F\n0.250000 0.753222 0.746777 F\n0.746779 0.250001 0.753219 F\n0.246779 0.253222 0.749999 F\n",
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}
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}