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{
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{
"id": "jvasp-9550",
"created_at": "2022-09-04T14:37:07.218377Z",
"updated_at": "2022-09-04T14:37:07.218398Z",
"structure_string": "Mg4 Ti4 O10\n1.0\n0.000000 5.996049 -0.004224\n3.184573 0.000000 0.000000\n0.000000 -0.008249 -11.082633\nMg Ti O\n4 4 10\ndirect\n0.756976 0.500000 0.095712 Mg\n0.427199 0.500000 0.878160 Mg\n0.072754 0.500000 0.378153 Mg\n0.743037 0.500000 0.595723 Mg\n0.554135 0.000000 0.365673 Ti\n0.216282 0.000000 0.634107 Ti\n0.945851 0.000000 0.865679 Ti\n0.283740 0.000000 0.134114 Ti\n0.753627 0.500000 0.405103 O\n0.217049 0.000000 0.311939 O\n0.384534 0.500000 0.052278 O\n0.746340 0.500000 0.905089 O\n0.502951 0.000000 0.559618 O\n0.282921 0.000000 0.811941 O\n0.874335 0.000000 0.697425 O\n-0.002933 0.000000 0.059592 O\n0.625714 0.000000 0.197423 O\n0.115488 0.500000 0.552266 O\n",
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{
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"structure_string": "Mg2 Ti4 O10\n1.0\n3.725505 -0.000000 -0.000000\n-1.862752 5.032454 0.000000\n0.000000 -0.000000 11.389976\nMg Ti O\n2 4 10\ndirect\n0.894902 0.789799 0.750000 Mg\n0.105100 0.210201 0.250000 Mg\n0.201509 0.403016 0.597976 Ti\n0.798493 0.596984 0.402024 Ti\n0.798493 0.596984 0.097976 Ti\n0.201509 0.403016 0.902025 Ti\n0.701286 0.402570 0.250000 O\n0.298716 0.597430 0.750000 O\n0.239303 0.478603 0.077597 O\n0.760701 0.521397 0.922404 O\n0.760701 0.521397 0.577597 O\n0.239303 0.478603 0.422403 O\n0.036593 0.073185 0.628300 O\n0.963408 0.926813 0.371700 O\n0.036593 0.073185 0.871700 O\n0.963408 0.926813 0.128301 O\n",
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"spacegroup": 63
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{
"id": "jvasp-19343",
"created_at": "2022-09-04T14:38:12.262128Z",
"updated_at": "2022-09-04T14:38:12.262154Z",
"structure_string": "Mg4 Ti4 O12\n1.0\n5.073871 0.000000 0.000000\n-0.000000 5.304473 0.000000\n0.000000 0.000000 7.453113\nMg Ti O\n4 4 12\ndirect\n0.988287 0.058505 0.250000 Mg\n0.488287 0.441495 0.750000 Mg\n0.511713 0.558504 0.250000 Mg\n0.011713 0.941495 0.750000 Mg\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.182383 0.187575 0.933339 O\n0.682383 0.312425 0.066660 O\n0.317617 0.687575 0.933339 O\n0.817617 0.812424 0.066660 O\n0.182383 0.187575 0.566660 O\n0.373840 0.942671 0.250000 O\n0.126160 0.442672 0.250000 O\n0.626160 0.057328 0.750000 O\n0.317617 0.687575 0.566660 O\n0.873839 0.557328 0.750000 O\n0.682383 0.312425 0.433340 O\n0.817617 0.812424 0.433340 O\n",
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"formula_full": "Mg4 Ti4 O12",
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},
{
"id": "jvasp-58581",
"created_at": "2022-09-04T14:38:00.990873Z",
"updated_at": "2022-09-04T14:38:00.990897Z",
"structure_string": "Mg2 Ti4 O8\n1.0\n6.034183 -0.025948 -0.089856\n2.994620 5.238729 -0.089856\n2.936233 1.695236 4.794849\nMg Ti O\n2 4 8\ndirect\n0.124999 0.625001 0.625000 Mg\n0.624999 0.125000 0.625000 Mg\n0.997085 0.997085 0.002914 Ti\n0.252915 0.252915 0.247085 Ti\n0.625000 0.625000 0.124999 Ti\n0.624999 0.625001 0.624999 Ti\n0.385682 0.385683 0.373068 O\n0.373350 0.867070 0.379790 O\n0.385681 0.385683 0.855568 O\n0.867069 0.373351 0.379790 O\n0.382930 0.876650 0.870209 O\n0.876649 0.382932 0.870209 O\n0.864317 0.864318 0.394431 O\n0.864317 0.864319 0.876930 O\n",
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{
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"structure_string": "Mg2 Ti4 O8\n1.0\n5.868027 0.000521 0.000757\n2.933606 5.159890 -0.000676\n2.933257 1.595586 4.907124\nMg Ti O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.500000 -0.000000 Ti\n0.000001 0.500001 0.499999 Ti\n0.000000 0.000001 0.500000 Ti\n0.500001 0.500001 0.500000 Ti\n0.771006 0.252665 0.252663 O\n0.756614 0.746911 0.239862 O\n0.223667 0.252665 0.252662 O\n0.243387 0.760137 0.253092 O\n0.776335 0.747336 0.747337 O\n0.243388 0.253090 0.760137 O\n0.756615 0.239864 0.746907 O\n0.228996 0.747336 0.747336 O\n",
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"formula_full": "Mg2 Ti4 O8",
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"spacegroup": 74
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{
"id": "jvasp-58560",
"created_at": "2022-09-04T14:38:19.212009Z",
"updated_at": "2022-09-04T14:38:19.212043Z",
"structure_string": "Mg2 Ti4 O8\n1.0\n5.326791 -0.000000 -2.796634\n-1.468268 5.120440 -2.796634\n-0.245961 -0.326402 6.002843\nMg Ti O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250001 Mg\n0.000000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.758149 0.774342 0.516298 O\n0.758044 0.241851 0.983703 O\n0.225658 0.241851 0.983702 O\n0.241851 0.225658 0.483703 O\n0.241851 0.758045 0.483703 O\n0.241955 0.758149 0.016298 O\n0.758149 0.241956 0.516298 O\n0.774342 0.758149 0.016298 O\n",
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{
"id": "jvasp-91718",
"created_at": "2022-09-04T14:35:41.561341Z",
"updated_at": "2022-09-04T14:35:41.561369Z",
"structure_string": "Mg3 Ti1 O4\n1.0\n4.291799 -0.000000 0.000000\n0.000000 4.291799 0.000000\n-0.000000 0.000000 4.291799\nMg Ti O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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},
{
"id": "jvasp-12885",
"created_at": "2022-09-04T14:37:03.382183Z",
"updated_at": "2022-09-04T14:37:03.382218Z",
"structure_string": "Mg2 Ti4 O10\n1.0\n3.752702 0.000000 0.000000\n-1.876351 4.897291 0.000000\n0.000000 -0.000000 10.086274\nMg Ti O\n2 4 10\ndirect\n0.195835 0.391669 0.750000 Mg\n0.804165 0.608331 0.250000 Mg\n0.867058 0.734116 0.567383 Ti\n0.132941 0.265884 0.432616 Ti\n0.867058 0.734116 0.932616 Ti\n0.132941 0.265884 0.067383 Ti\n0.313784 0.627566 0.562381 O\n0.686216 0.372433 0.437618 O\n0.686216 0.372433 0.062381 O\n0.313784 0.627566 0.937618 O\n0.046633 0.093268 0.613344 O\n0.953366 0.906732 0.386656 O\n0.782423 0.564846 0.750000 O\n0.217577 0.435154 0.250000 O\n0.046633 0.093268 0.886656 O\n0.953366 0.906732 0.113344 O\n",
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},
{
"id": "jvasp-10810",
"created_at": "2022-09-04T14:36:35.938068Z",
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"structure_string": "Mg2 Ti4 O10\n1.0\n0.000000 4.829735 -0.001315\n3.393641 0.000000 0.000000\n0.000000 0.001209 -11.968433\nMg Ti O\n2 4 10\ndirect\n0.123210 0.250000 0.249934 Mg\n0.876791 0.750000 0.750066 Mg\n0.588343 0.750000 0.102996 Ti\n0.411658 0.250000 0.897004 Ti\n0.411801 0.250000 0.603040 Ti\n0.588200 0.750000 0.396960 Ti\n0.575525 0.250000 0.750017 O\n0.424476 0.750000 0.249982 O\n0.424149 0.250000 0.072658 O\n0.575852 0.750000 0.927341 O\n0.424068 0.250000 0.427371 O\n0.575933 0.750000 0.572628 O\n0.935830 0.750000 0.359222 O\n0.064171 0.250000 0.640777 O\n0.064037 0.250000 0.859353 O\n0.935965 0.750000 0.140647 O\n",
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{
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"structure_string": "Mg8 Ti4 O16\n1.0\n6.016677 0.000000 0.000000\n0.000000 6.016677 -0.000000\n-0.000000 0.000000 8.450875\nMg Ti O\n8 4 16\ndirect\n0.000000 0.248621 0.000000 Mg\n0.000000 0.751379 0.500000 Mg\n0.248621 0.000000 0.750000 Mg\n0.252005 0.252005 0.375000 Mg\n0.252005 0.747995 0.125000 Mg\n0.747995 0.252005 0.625000 Mg\n0.747995 0.747995 0.875000 Mg\n0.751379 0.000000 0.250000 Mg\n0.763348 0.500000 0.250000 Ti\n0.500000 0.763348 0.500000 Ti\n0.500000 0.236652 0.000000 Ti\n0.236652 0.500000 0.750000 Ti\n0.739632 0.516686 0.483751 O\n0.739632 0.483315 0.016249 O\n0.737886 0.026124 0.002444 O\n0.737886 0.973876 0.497556 O\n0.516686 0.739632 0.266249 O\n0.516686 0.260368 0.233751 O\n0.483315 0.739632 0.733751 O\n0.026124 0.737886 0.747556 O\n0.262114 0.973876 0.502444 O\n0.262114 0.026124 0.997557 O\n0.260368 0.516686 0.516249 O\n0.260368 0.483315 0.983751 O\n0.973876 0.262114 0.247556 O\n0.026124 0.262114 0.752444 O\n0.483315 0.260368 0.766250 O\n0.973876 0.737886 0.252444 O\n",
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},
{
"id": "jvasp-9529",
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"updated_at": "2022-09-04T14:37:16.920440Z",
"structure_string": "Mg4 Ti4 O8\n1.0\n2.849096 0.000093 0.000082\n1.424407 8.402621 0.048337\n1.423901 1.693062 8.209003\nMg Ti O\n4 4 8\ndirect\n0.614688 0.967094 0.803639 Mg\n0.389471 0.052985 0.168159 Mg\n0.933257 0.259804 0.873766 Mg\n0.070927 0.760275 0.098040 Mg\n0.339603 0.845860 0.475058 Ti\n0.787290 0.616239 0.809286 Ti\n0.216884 0.403842 0.162500 Ti\n0.664518 0.174230 0.496742 Ti\n0.141225 0.332966 0.384620 O\n0.653114 0.587607 0.106311 O\n0.351057 0.432472 0.865498 O\n0.862912 0.687115 0.587167 O\n0.916800 0.880452 0.286045 O\n0.183787 0.787200 0.845343 O\n0.087337 0.139641 0.685755 O\n0.820380 0.232876 0.126453 O\n",
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"formula_full": "Mg4 Ti4 O8",
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},
{
"id": "jvasp-36592",
"created_at": "2022-09-04T14:37:09.429891Z",
"updated_at": "2022-09-04T14:37:09.429917Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n3.833861 -0.000000 -0.000000\n-0.000000 3.833861 -0.000000\n-0.000000 0.000000 3.833861\nMg Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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}
]
}