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{
"id": "jvasp-101090",
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{
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{
"id": "jvasp-59036",
"created_at": "2022-09-04T14:38:30.496632Z",
"updated_at": "2022-09-04T14:38:30.496653Z",
"structure_string": "Ti2 Nb6 O12\n1.0\n6.419275 0.001303 1.921890\n1.431140 6.257710 1.921890\n0.001634 0.001303 6.700803\nTi Nb O\n2 6 12\ndirect\n0.726333 0.726332 0.726333 Ti\n0.273667 0.273667 0.273667 Ti\n0.296387 0.881390 0.055925 Nb\n0.881391 0.055925 0.296387 Nb\n0.703613 0.118609 0.944074 Nb\n0.944075 0.703613 0.118609 Nb\n0.118609 0.944074 0.703613 Nb\n0.055925 0.296387 0.881390 Nb\n0.798254 0.033781 0.647859 O\n0.966219 0.352141 0.201746 O\n0.569676 0.171119 0.260580 O\n0.647859 0.798254 0.033782 O\n0.033781 0.647858 0.798254 O\n0.739420 0.430323 0.828880 O\n0.828881 0.739420 0.430324 O\n0.430324 0.828880 0.739420 O\n0.260580 0.569676 0.171119 O\n0.171119 0.260579 0.569676 O\n0.201746 0.966218 0.352141 O\n0.352141 0.201745 0.966218 O\n",
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"formula_full": "Ti2 Nb6 O12",
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"formula_anonymous": "AB3C6",
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"spacegroup": 148
},
{
"id": "jvasp-112296",
"created_at": "2022-09-04T14:38:26.681060Z",
"updated_at": "2022-09-04T14:38:26.681079Z",
"structure_string": "Ti2 Nb6 Se12\n1.0\n6.071658 0.000000 0.000000\n-3.035829 5.258211 0.000000\n0.000000 0.000000 13.036406\nTi Nb Se\n2 6 12\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666667 0.000242 Nb\n0.666667 0.333333 -0.000242 Nb\n0.666667 0.333333 0.500242 Nb\n0.333333 0.666667 0.499758 Nb\n0.671341 0.666605 0.129836 Se\n0.004736 0.333394 0.870165 Se\n0.328659 0.995264 0.870165 Se\n0.666605 0.671341 0.870165 Se\n0.666605 0.995264 0.629836 Se\n0.671341 0.004736 0.370164 Se\n0.328659 0.333394 0.629836 Se\n0.995264 0.666605 0.370164 Se\n0.995264 0.328659 0.129836 Se\n0.333395 0.328659 0.370164 Se\n0.004736 0.671341 0.629836 Se\n0.333395 0.004736 0.129836 Se\n",
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{
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"structure_string": "Ti2 Ni1 Ir1\n1.0\n0.000000 3.064050 3.064050\n3.064051 -0.000000 3.064051\n3.064051 3.064051 -0.000000\nTi Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
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"spacegroup": 225
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{
"id": "jvasp-41668",
"created_at": "2022-09-04T14:37:31.792664Z",
"updated_at": "2022-09-04T14:37:31.792684Z",
"structure_string": "Ti2 Ni1 Mo1\n1.0\n-0.000001 3.073324 3.073322\n3.073320 -0.000000 3.073321\n3.073319 3.073321 0.000002\nTi Ni Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500000 Ti\n0.749999 0.750001 0.750001 Ni\n0.250000 0.250001 0.250001 Mo\n",
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},
{
"id": "jvasp-102663",
"created_at": "2022-09-04T14:36:49.565298Z",
"updated_at": "2022-09-04T14:36:49.565323Z",
"structure_string": "Ti2 Ni1 Pd1\n1.0\n2.765612 -0.000000 0.000000\n0.000000 4.424796 0.000000\n0.000000 -0.000000 4.756564\nTi Ni Pd\n2 1 1\ndirect\n-0.000000 0.500000 0.796101 Ti\n0.000000 0.000000 0.209690 Ti\n0.500000 0.500000 0.309666 Ni\n0.500000 0.000000 0.684541 Pd\n",
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},
{
"id": "jvasp-35441",
"created_at": "2022-09-04T14:37:50.619094Z",
"updated_at": "2022-09-04T14:37:50.619104Z",
"structure_string": "Ti2 Ni1 S4\n1.0\n0.000000 3.403173 0.000000\n0.004991 0.000000 5.875446\n5.634996 -1.701587 -2.923468\nTi Ni S\n2 1 4\ndirect\n0.256174 0.262598 0.512350 Ti\n0.743824 0.737402 0.487651 Ti\n0.000000 0.000000 0.000000 Ni\n0.118371 0.448155 0.236745 S\n0.881627 0.551845 0.763256 S\n0.376621 0.040323 0.753243 S\n0.623377 0.959678 0.246757 S\n",
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{
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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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{
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{
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"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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