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{
"id": "jvasp-21093",
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"structure_string": "Tm2 P2 O8\n1.0\n5.456153 0.011454 -1.579885\n-3.078902 4.504454 -1.579885\n-0.006029 -0.011454 5.680282\nTm P O\n2 2 8\ndirect\n0.125000 0.874999 0.249999 Tm\n0.874999 0.125000 0.749999 Tm\n0.375000 0.625000 0.749999 P\n0.624999 0.374999 0.249999 P\n0.787021 0.360100 0.073077 O\n0.713944 0.787022 0.926919 O\n0.360101 0.787022 0.573078 O\n0.787022 0.713943 0.426920 O\n0.286056 0.212977 0.073078 O\n0.212978 0.639899 0.926920 O\n0.212978 0.286056 0.573079 O\n0.639898 0.212977 0.426921 O\n",
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{
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{
"id": "jvasp-9734",
"created_at": "2022-09-04T14:37:06.337955Z",
"updated_at": "2022-09-04T14:37:06.337972Z",
"structure_string": "Tl6 P2 O8\n1.0\n4.202662 -7.279222 -0.000000\n4.202661 7.279223 -0.000000\n-0.000000 -0.000000 5.186964\nTl P O\n6 2 8\ndirect\n0.647045 0.910416 -0.003004 Tl\n0.263371 0.352955 -0.003004 Tl\n0.910416 0.263371 0.496995 Tl\n0.352955 0.089584 0.496995 Tl\n0.736629 0.647044 0.496995 Tl\n0.089584 0.736629 -0.003004 Tl\n0.666667 0.333333 0.014963 P\n0.333333 0.666667 0.514963 P\n0.473026 0.863977 0.421342 O\n0.863977 0.390951 0.921342 O\n0.609049 0.473026 0.921342 O\n0.390951 0.526974 0.421342 O\n0.666667 0.333333 0.319421 O\n0.526974 0.136023 0.921342 O\n0.333333 0.666667 0.819421 O\n0.136023 0.609049 0.421342 O\n",
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"formula_full": "Tl6 P2 O8",
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{
"id": "jvasp-119671",
"created_at": "2022-09-04T14:38:52.177244Z",
"updated_at": "2022-09-04T14:38:52.177277Z",
"structure_string": "Tl8 P4 O16\n1.0\n7.195020 -0.000000 0.000000\n0.000000 5.350134 1.479436\n0.000000 1.924057 13.666358\nTl P O\n8 4 16\ndirect\n0.197150 0.218177 0.082981 Tl\n0.802850 0.218177 0.582981 Tl\n0.720055 0.599241 0.056234 Tl\n0.279946 0.599241 0.556234 Tl\n0.511141 0.231922 0.861900 Tl\n0.488859 0.231921 0.361900 Tl\n0.909215 0.718606 0.320754 Tl\n0.090785 0.718606 0.820754 Tl\n-0.002128 0.189664 0.843042 P\n0.002128 0.189663 0.343042 P\n0.419951 0.941140 0.693567 P\n0.580049 0.941139 0.193567 P\n0.096987 0.949417 0.930310 O\n0.903013 0.949417 0.430310 O\n-0.109000 0.367403 0.889370 O\n0.109000 0.367403 0.389370 O\n0.143819 0.378976 0.765966 O\n0.856181 0.378975 0.265966 O\n0.209286 0.957799 0.656108 O\n0.545281 0.820276 0.634663 O\n0.410024 0.765027 0.817001 O\n0.589976 0.765026 0.317001 O\n0.491602 0.219964 0.675554 O\n0.508398 0.219963 0.175554 O\n0.132997 0.063826 0.285284 O\n0.454719 0.820276 0.134663 O\n0.790714 0.957799 0.156108 O\n0.867003 0.063826 0.785284 O\n",
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"formula_full": "Tl8 P4 O16",
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"spacegroup": 7
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{
"id": "jvasp-9485",
"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
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"density_atomic": 0.08673173628284458,
"volume": 184.4768787727449,
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"formula_full": "Ti2 Zn2 P2 O10",
"formula_reduced": "TiZnPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-21363",
"created_at": "2022-09-04T14:36:49.701074Z",
"updated_at": "2022-09-04T14:36:49.701084Z",
"structure_string": "Ti2 P4 O14\n1.0\n6.375687 -0.275954 0.147365\n-0.364824 -6.467639 0.180537\n-3.027838 0.365166 -6.256163\nTi P O\n2 4 14\ndirect\n0.096190 0.342312 0.202153 Ti\n0.903811 0.657687 0.797847 Ti\n0.321213 0.630194 0.659053 P\n0.678788 0.369805 0.340947 P\n0.223834 0.856610 0.283842 P\n0.776167 0.143389 0.716158 P\n0.942400 0.330566 0.875009 O\n0.082437 0.057720 0.219888 O\n0.229098 0.438328 0.497941 O\n0.785413 0.182627 0.492344 O\n0.589872 0.649803 0.776680 O\n0.057601 0.669433 0.124991 O\n0.917563 0.942279 0.780111 O\n0.214588 0.817372 0.507656 O\n0.780949 0.363302 0.182375 O\n0.459604 0.861645 0.297055 O\n0.540397 0.138354 0.702945 O\n0.410129 0.350196 0.223319 O\n0.219052 0.636697 0.817625 O\n0.770902 0.561671 0.502059 O\n",
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"formula_full": "Ti2 P4 O14",
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},
{
"id": "jvasp-17326",
"created_at": "2022-09-04T14:38:31.649553Z",
"updated_at": "2022-09-04T14:38:31.649573Z",
"structure_string": "Ti3 P1 O2\n1.0\n1.589871 -2.753738 0.000000\n1.589871 2.753738 -0.000000\n0.000000 -0.000000 7.981887\nTi P O\n3 1 2\ndirect\n0.666667 0.333333 0.709365 Ti\n0.333333 0.666667 0.290635 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.141985 O\n0.333333 0.666667 0.858016 O\n",
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"spacegroup": 164
},
{
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"created_at": "2022-09-04T14:38:13.197613Z",
"updated_at": "2022-09-04T14:38:13.197640Z",
"structure_string": "Ti3 P1 O7\n1.0\n4.033909 2.328979 2.359400\n-4.033909 2.328979 2.359400\n-0.000000 -4.657957 2.359400\nTi P O\n3 1 7\ndirect\n0.180681 0.535125 0.535115 Ti\n0.535125 0.535115 0.180681 Ti\n0.535114 0.180681 0.535125 Ti\n0.991280 0.991280 0.991281 P\n0.141798 0.826289 0.826259 O\n0.393087 0.793616 0.393072 O\n0.219228 0.219228 0.219228 O\n0.826289 0.826259 0.141798 O\n0.393072 0.393087 0.793616 O\n0.793616 0.393072 0.393087 O\n0.826259 0.141798 0.826289 O\n",
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{
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"created_at": "2022-09-04T14:37:09.247741Z",
"updated_at": "2022-09-04T14:37:09.247752Z",
"structure_string": "Ti2 P2 O8\n1.0\n4.866199 0.043288 0.000000\n-1.804030 4.519652 -0.000000\n-0.000000 0.000000 5.904595\nTi P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.648609 0.351391 0.250000 P\n0.351391 0.648609 0.750001 P\n0.243785 0.756215 0.536508 O\n0.756215 0.243786 0.036508 O\n0.756215 0.243786 0.463492 O\n0.243785 0.756215 0.963493 O\n0.698065 0.765800 0.750001 O\n0.301936 0.234200 0.250000 O\n0.765800 0.698065 0.250000 O\n0.234200 0.301936 0.750001 O\n",
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{
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"created_at": "2022-09-04T14:36:55.308900Z",
"updated_at": "2022-09-04T14:36:55.308920Z",
"structure_string": "Ti3 P1 O2\n1.0\n1.589871 -2.753738 -0.000000\n1.589871 2.753738 0.000000\n0.000000 -0.000000 7.981887\nTi P O\n3 1 2\ndirect\n0.666667 0.333332 0.709365 Ti\n0.333332 0.666667 0.290635 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 P\n0.666667 0.333332 0.141985 O\n0.333332 0.666667 0.858016 O\n",
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},
{
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"created_at": "2022-09-04T14:38:29.845681Z",
"updated_at": "2022-09-04T14:38:29.845707Z",
"structure_string": "Th4 P4 O18\n1.0\n5.893823 0.002406 -0.000000\n-1.461280 5.709800 -0.000000\n0.000000 0.000000 12.983574\nTh P O\n4 4 18\ndirect\n0.291986 0.708014 0.572148 Th\n0.708014 0.291986 0.427852 Th\n0.208014 0.791986 0.072148 Th\n0.791986 0.208015 0.927852 Th\n0.389342 0.610658 0.858639 P\n0.110658 0.889342 0.358640 P\n0.610658 0.389343 0.141360 P\n0.889342 0.110658 0.641360 P\n0.149645 0.515451 0.915397 O\n0.853756 0.146245 0.756038 O\n0.500000 0.500000 0.500000 O\n0.551739 0.448261 0.876054 O\n0.515451 0.149646 0.084602 O\n0.353756 0.646244 0.743961 O\n0.350354 0.984549 0.415398 O\n0.948261 0.051740 0.376054 O\n0.649645 0.015452 0.584602 O\n0.850354 0.484549 0.084602 O\n0.448261 0.551739 0.123945 O\n0.015451 0.649646 0.415398 O\n0.484549 0.850355 0.915397 O\n0.146244 0.853756 0.243962 O\n0.984548 0.350355 0.584602 O\n0.051739 0.948261 0.623945 O\n0.646244 0.353756 0.256038 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-21547",
"created_at": "2022-09-04T14:38:29.136220Z",
"updated_at": "2022-09-04T14:38:29.136246Z",
"structure_string": "Th4 P8 O28\n1.0\n9.019839 0.000000 -0.000000\n0.000000 9.019839 0.000000\n-0.000000 -0.000000 9.019839\nTh P O\n4 8 28\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.500000 0.000000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.398602 0.398602 0.398602 P\n0.101398 0.601398 0.898602 P\n0.898602 0.101398 0.601398 P\n0.601398 0.898602 0.101398 P\n0.898602 0.398602 0.101398 P\n0.101398 0.898602 0.398602 P\n0.398602 0.101398 0.898602 P\n0.601398 0.601398 0.601398 P\n0.571384 0.944631 0.261203 O\n0.500000 0.000000 0.000000 O\n0.261203 0.571384 0.944631 O\n0.944631 0.261203 0.571384 O\n0.928616 0.055369 0.761203 O\n0.761203 0.928616 0.055369 O\n0.428616 0.444631 0.238797 O\n0.555369 0.738797 0.071384 O\n0.055369 0.761203 0.928616 O\n0.071384 0.555369 0.738797 O\n0.000000 0.000000 0.500000 O\n0.444631 0.238797 0.428616 O\n0.000000 0.500000 0.000000 O\n0.555369 0.761203 0.571384 O\n0.738797 0.428616 0.055369 O\n0.055369 0.738797 0.428616 O\n0.428616 0.055369 0.738797 O\n0.071384 0.944631 0.238797 O\n0.738797 0.071384 0.555369 O\n0.571384 0.555369 0.761203 O\n0.444631 0.261203 0.928616 O\n0.944631 0.238797 0.071384 O\n0.928616 0.444631 0.261203 O\n0.238797 0.071384 0.944631 O\n0.261203 0.928616 0.444631 O\n0.761203 0.571384 0.555369 O\n0.500000 0.500000 0.500000 O\n0.238797 0.428616 0.444631 O\n",
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"volume": 733.8315116282179,
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"formula_full": "Th4 P8 O28",
"formula_reduced": "ThP2O7",
"formula_anonymous": "AB2C7",
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"spacegroup": 205
}
]
}