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{
"id": "jvasp-17788",
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"updated_at": "2022-09-04T14:38:12.146453Z",
"structure_string": "Ti4 Pb2 C2\n1.0\n1.614540 -2.796466 -0.000000\n1.614540 2.796466 0.000000\n-0.000000 -0.000000 13.943705\nTi Pb C\n4 2 2\ndirect\n0.666667 0.333333 0.577481 Ti\n0.333333 0.666667 0.422519 Ti\n0.333333 0.666667 0.077481 Ti\n0.666667 0.333333 0.922519 Ti\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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{
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"structure_string": "Ti1 P1 S1\n1.0\n3.092444 -0.000000 0.000000\n0.000000 3.092444 -0.000000\n-0.000000 0.000000 6.580055\nTi P S\n1 1 1\ndirect\n0.000000 0.000000 0.665856 Ti\n0.000000 0.000000 0.308768 P\n0.000000 0.000000 0.012747 S\n",
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{
"id": "jvasp-11137",
"created_at": "2022-09-04T14:36:53.143724Z",
"updated_at": "2022-09-04T14:36:53.143735Z",
"structure_string": "Ti2 P4 S12\n1.0\n6.672968 -0.070113 -1.234195\n-2.785063 6.064392 -1.234195\n-0.065457 -0.100920 11.226196\nTi P S\n2 4 12\ndirect\n0.600351 0.100351 0.200701 Ti\n0.850351 0.850351 0.700700 Ti\n0.638267 0.512082 0.376619 P\n0.738353 0.864538 0.376619 P\n0.614538 0.988353 0.876619 P\n0.262082 0.888267 0.876619 P\n0.668188 0.709671 0.856970 S\n0.188783 0.147299 0.856970 S\n0.985228 0.030284 0.543766 S\n0.558539 0.513483 0.543766 S\n0.780283 0.235228 0.043766 S\n0.375757 0.308141 0.224793 S\n0.849037 0.916651 0.224793 S\n0.666651 0.099037 0.724793 S\n0.058141 0.625757 0.724793 S\n0.459671 0.918187 0.356970 S\n0.897300 0.438783 0.356970 S\n0.263483 0.808538 0.043766 S\n",
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"elements": [
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"density": 2.2281914304232293,
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"formula_full": "Ti2 P4 S12",
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{
"id": "jvasp-16329",
"created_at": "2022-09-04T14:37:49.928074Z",
"updated_at": "2022-09-04T14:37:49.928099Z",
"structure_string": "Ti3 P3 Ru3\n1.0\n3.138805 -5.436570 0.000000\n3.138805 5.436570 -0.000000\n0.000000 0.000000 3.674579\nTi P Ru\n3 3 3\ndirect\n-0.000000 0.584042 0.500000 Ti\n0.584042 -0.000000 0.500000 Ti\n0.415957 0.415957 0.500000 Ti\n0.000000 0.000000 0.500000 P\n0.333332 0.666666 0.000000 P\n0.666666 0.333332 0.000000 P\n0.748914 0.748914 0.000000 Ru\n0.251085 -0.000000 0.000000 Ru\n-0.000000 0.251085 0.000000 Ru\n",
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"volume": 125.40848010807827,
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"formula_full": "Ti3 P3 Ru3",
"formula_reduced": "TiPRu",
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"spacegroup": 189
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{
"id": "jvasp-90133",
"created_at": "2022-09-04T14:36:10.201824Z",
"updated_at": "2022-09-04T14:36:10.201849Z",
"structure_string": "Ti3 P3 Os3\n1.0\n0.000000 0.000000 -3.724804\n-3.145351 -5.447905 0.000000\n-3.145335 5.447897 0.000000\nTi P Os\n3 3 3\ndirect\n0.500000 0.583859 -0.000000 Ti\n0.500000 0.416107 0.416105 Ti\n0.500000 0.000002 0.583894 Ti\n0.000000 0.333325 0.666664 P\n0.000000 0.666661 0.333335 P\n0.500000 0.999976 -0.000001 P\n0.000000 0.253196 -0.000000 Os\n0.000000 0.746780 0.746788 Os\n0.000000 -0.000009 0.253211 Os\n",
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"elements": [
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"density": 10.500409132102387,
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"formula_full": "Ti3 P3 Os3",
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{
"id": "jvasp-9742",
"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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"formula_full": "Ti2 P2 O8",
"formula_reduced": "TiPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-40494",
"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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"volume": 132.9977925437139,
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"formula_full": "Ti3 P1 O7",
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"spacegroup": 160
},
{
"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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{
"id": "jvasp-14286",
"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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"formula_full": "Ti3 P1 O2",
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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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{
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"structure_string": "Ti4 P4 N12\n1.0\n-2.662768 4.153779 -0.732406\n0.004911 -0.004341 -6.401242\n-4.852982 -4.144623 0.496599\nTi P N\n4 4 12\ndirect\n0.250000 0.717809 0.717809 Ti\n0.750001 0.896924 0.896924 Ti\n0.750000 0.282191 0.282191 Ti\n0.250000 0.103076 0.103076 Ti\n0.205263 0.613124 0.213556 P\n0.705263 0.786444 0.386876 P\n0.794738 0.386876 0.786443 P\n0.294738 0.213556 0.613123 P\n0.368720 0.385857 0.145981 N\n0.361824 0.026218 0.784912 N\n0.093250 0.420092 0.710157 N\n0.631281 0.614143 0.854019 N\n0.131281 0.145981 0.385856 N\n0.138176 0.784912 0.026219 N\n0.406751 0.710157 0.420092 N\n0.861825 0.215088 0.973781 N\n0.638177 0.973782 0.215087 N\n0.906751 0.579908 0.289843 N\n0.868720 0.854019 0.614143 N\n0.593250 0.289843 0.579908 N\n",
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}