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{
"id": "jvasp-49767",
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"structure_string": "Ti2 O2\n1.0\n-2.846616 -0.000627 0.000695\n1.422756 2.465578 -0.001796\n-0.001351 -0.003252 -5.550879\nTi O\n2 2\ndirect\n0.666630 0.333230 0.002773 Ti\n0.333295 0.666562 0.502776 Ti\n0.999965 0.999902 0.752781 O\n-0.000038 -0.000105 0.252776 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:54.671625Z",
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"structure_string": "Ti2 O1\n1.0\n1.483800 -2.570017 -0.000000\n1.483800 2.570017 0.000000\n-0.000000 0.000000 4.815617\nTi O\n2 1\ndirect\n0.333333 0.666667 0.731566 Ti\n0.666667 0.333333 0.268435 Ti\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-43019",
"created_at": "2022-09-04T14:38:09.416707Z",
"updated_at": "2022-09-04T14:38:09.416735Z",
"structure_string": "Ti2 Ni2 P4 O16\n1.0\n0.000000 4.808219 0.020906\n5.792454 0.000000 0.000000\n0.000000 -0.163441 -9.841939\nTi Ni P O\n2 2 4 16\ndirect\n0.546924 0.250000 0.229064 Ti\n0.453076 0.749999 0.770936 Ti\n0.055342 0.749999 0.272761 Ni\n0.944658 0.250000 0.727239 Ni\n0.583717 0.749999 0.094030 P\n0.126530 0.250000 0.411497 P\n0.873470 0.749999 0.588502 P\n0.416283 0.250000 0.905970 P\n0.269137 0.039543 0.831886 O\n0.269137 0.460457 0.831886 O\n0.723266 0.546385 0.665420 O\n0.723266 0.953614 0.665420 O\n0.184985 0.749999 0.628045 O\n0.172899 0.250000 0.562275 O\n0.827101 0.749999 0.437725 O\n0.730863 0.539542 0.168113 O\n0.276734 0.453614 0.334580 O\n0.276734 0.046385 0.334580 O\n0.727883 0.250000 0.892881 O\n0.730863 0.960457 0.168113 O\n0.272118 0.749999 0.107118 O\n0.342178 0.250000 0.058352 O\n0.815015 0.250000 0.371955 O\n0.657823 0.749999 0.941648 O\n",
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"formula_reduced": "TiNi(PO4)2",
"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-42784",
"created_at": "2022-09-04T14:36:00.337816Z",
"updated_at": "2022-09-04T14:36:00.337841Z",
"structure_string": "Ti2 Ni2 O6\n1.0\n5.024895 0.000000 -0.000000\n-2.512447 1.450562 4.636131\n2.512447 -4.351686 0.000000\nTi Ni O\n2 2 6\ndirect\n0.148786 0.446360 0.148787 Ti\n0.648785 0.946361 0.648788 Ti\n0.353342 0.060028 0.353343 Ni\n0.853341 0.560028 0.853343 Ni\n0.054342 0.259171 0.432795 O\n0.554341 0.759169 0.272032 O\n0.272030 0.759169 0.932798 O\n0.772031 0.259171 0.054342 O\n0.432794 0.259171 0.772033 O\n0.932796 0.759169 0.554343 O\n",
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"formula_full": "Ti2 Ni2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 161
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{
"id": "jvasp-11476",
"created_at": "2022-09-04T14:38:06.246881Z",
"updated_at": "2022-09-04T14:38:06.246909Z",
"structure_string": "Ti2 Ni2 O6\n1.0\n4.473728 -0.003391 3.074402\n1.615903 4.171617 3.074273\n-0.004736 -0.003408 5.428095\nTi Ni O\n2 2 6\ndirect\n0.143892 0.143905 0.143900 Ti\n0.856107 0.856096 0.856101 Ti\n0.650856 0.650858 0.650859 Ni\n0.349143 0.349143 0.349142 Ni\n0.945579 0.236105 0.561658 O\n0.561650 0.945582 0.236110 O\n0.236103 0.561654 0.945581 O\n0.054420 0.763896 0.438343 O\n0.438349 0.054419 0.763891 O\n0.763896 0.438347 0.054420 O\n",
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"spacegroup": 148
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{
"id": "jvasp-37023",
"created_at": "2022-09-04T14:38:09.865627Z",
"updated_at": "2022-09-04T14:38:09.865655Z",
"structure_string": "Ti2 Ni2\n1.0\n0.000000 2.935173 0.362775\n3.984041 0.000000 0.000000\n0.000000 -0.604896 -4.775653\nTi Ni\n2 2\ndirect\n0.625750 0.250000 0.284978 Ti\n0.374248 0.750000 0.715022 Ti\n0.074648 0.750000 0.172807 Ni\n-0.074649 0.250000 0.827192 Ni\n",
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{
"id": "jvasp-79638",
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"structure_string": "Ti2 Ni2\n1.0\n-4.813844 0.000000 -0.307182\n-0.544370 0.000000 -2.889830\n0.000000 -3.998325 0.000000\nTi Ni\n2 2\ndirect\n0.714626 0.626800 0.749999 Ti\n0.285374 0.373200 0.250000 Ti\n0.827468 0.074721 0.250000 Ni\n0.172531 0.925278 0.749999 Ni\n",
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{
"id": "jvasp-79632",
"created_at": "2022-09-04T14:37:04.728103Z",
"updated_at": "2022-09-04T14:37:04.728127Z",
"structure_string": "Ti2 Ni2\n1.0\n2.946189 0.002071 0.000000\n0.000000 0.000000 3.985673\n-1.468185 -4.687834 0.000000\nTi Ni\n2 2\ndirect\n0.357277 0.250000 0.714281 Ti\n0.642722 0.749999 0.285718 Ti\n0.086082 0.250000 0.172433 Ni\n0.913916 0.749999 0.827566 Ni\n",
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{
"id": "jvasp-79279",
"created_at": "2022-09-04T14:37:13.002057Z",
"updated_at": "2022-09-04T14:37:13.002080Z",
"structure_string": "Ti2 Ni2\n1.0\n2.737991 -0.000002 -0.000002\n-0.000002 4.247055 -0.000002\n-0.000004 -0.000003 4.621533\nTi Ni\n2 2\ndirect\n0.500000 0.250001 0.282831 Ti\n0.500001 0.750002 0.717156 Ti\n0.000001 0.250001 0.815070 Ni\n0.000001 0.750001 0.184943 Ni\n",
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{
"id": "jvasp-19608",
"created_at": "2022-09-04T14:38:31.038111Z",
"updated_at": "2022-09-04T14:38:31.038132Z",
"structure_string": "Ti2 Ni2\n1.0\n0.000000 2.944558 0.112752\n3.987308 0.000000 0.000000\n0.000000 -1.159742 -4.730740\nTi Ni\n2 2\ndirect\n0.364616 0.250000 0.214451 Ti\n0.635385 0.750000 0.785550 Ti\n0.080946 0.250000 0.672452 Ni\n0.919055 0.750000 0.327548 Ni\n",
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{
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"created_at": "2022-09-04T14:37:34.136991Z",
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"structure_string": "Ti2 Ni1 Se4\n1.0\n0.000000 3.581204 -0.000000\n0.000121 -0.000000 6.181261\n5.912953 -1.790603 -3.051624\nTi Ni Se\n2 1 4\ndirect\n0.251467 0.262547 0.502933 Ti\n0.748532 0.737453 0.497066 Ti\n0.000000 0.000000 0.000000 Ni\n0.116866 0.452799 0.233731 Se\n0.883134 0.547201 0.766268 Se\n0.378110 0.044983 0.756220 Se\n0.621889 0.955017 0.243779 Se\n",
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"spacegroup": 12
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