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{
"id": "jvasp-42411",
"created_at": "2022-09-04T14:38:15.045599Z",
"updated_at": "2022-09-04T14:38:15.045626Z",
"structure_string": "Ti6 Mn2 O16\n1.0\n2.963552 -5.133022 -0.000000\n2.963552 5.133022 -0.000000\n-0.000000 -0.000000 8.753147\nTi Mn O\n6 2 16\ndirect\n0.166609 0.833391 0.793762 Ti\n0.666781 0.833390 0.793762 Ti\n0.166609 0.333219 0.793762 Ti\n0.833390 0.666781 0.293762 Ti\n0.333219 0.166609 0.293762 Ti\n0.833391 0.166609 0.293762 Ti\n0.333333 0.666667 0.516936 Mn\n0.666667 0.333333 0.016936 Mn\n0.348500 0.174250 0.895630 O\n0.666667 0.333333 0.406560 O\n0.946772 0.473386 0.155018 O\n0.526614 0.473386 0.155018 O\n0.174250 0.348500 0.395630 O\n0.825749 0.651499 0.895630 O\n0.473386 0.526614 0.655018 O\n0.000000 0.000000 0.685408 O\n0.651499 0.825749 0.395630 O\n0.000000 0.000000 0.185408 O\n0.526614 0.053228 0.155018 O\n0.333333 0.666667 0.906560 O\n0.473386 0.946772 0.655018 O\n0.174250 0.825749 0.395630 O\n0.053228 0.526614 0.655018 O\n0.825749 0.174250 0.895630 O\n",
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{
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"structure_string": "Ba1 Te1 Cl1\n1.0\n0.000000 3.941730 3.941730\n3.941730 0.000000 3.941730\n3.941730 3.941730 0.000000\nBa Te Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:06.726012Z",
"updated_at": "2022-09-04T14:38:06.726044Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n4.814993 0.024226 0.047645\n-0.044148 7.381088 0.010020\n-0.082511 0.007873 7.858230\nBa Ca I\n1 1 4\ndirect\n0.514447 0.003099 0.505477 Ba\n0.014616 0.502971 0.005558 Ca\n0.014209 0.726690 0.669134 I\n0.014687 0.279833 0.342349 I\n0.515040 0.742141 0.140433 I\n0.514086 0.263774 0.870784 I\n",
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"formula_full": "Ba1 Ca1 I4",
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"spacegroup": 10
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{
"id": "jvasp-86558",
"created_at": "2022-09-04T14:36:20.558580Z",
"updated_at": "2022-09-04T14:36:20.558606Z",
"structure_string": "Cr3 Ag1 O8\n1.0\n5.034307 -0.059326 0.220118\n2.045757 4.600283 0.220112\n-0.078206 -0.050166 6.858014\nCr Ag O\n3 1 8\ndirect\n-0.000001 0.000002 0.499999 Cr\n0.646420 0.646415 0.277553 Cr\n0.353586 0.353580 0.722446 Cr\n0.000000 0.000000 0.000000 Ag\n0.786722 0.277676 0.296942 O\n0.277677 0.786719 0.296943 O\n0.260368 0.260365 0.935030 O\n0.222905 0.222901 0.546440 O\n0.777096 0.777096 0.453561 O\n0.739635 0.739633 0.064969 O\n0.213280 0.722321 0.703058 O\n0.722321 0.213281 0.703058 O\n",
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{
"id": "jvasp-54857",
"created_at": "2022-09-04T14:37:55.055105Z",
"updated_at": "2022-09-04T14:37:55.055130Z",
"structure_string": "Al10 Mo2\n1.0\n4.788703 -0.004126 7.886826\n2.203749 4.251493 7.886826\n-0.006793 -0.004126 9.226791\nAl Mo\n10 2\ndirect\n0.330519 0.330517 0.330519 Al\n0.750000 0.402674 0.097326 Al\n0.250001 0.597323 0.902676 Al\n0.169482 0.169481 0.169482 Al\n0.597325 0.902674 0.250001 Al\n0.669482 0.669480 0.669483 Al\n0.402676 0.097323 0.750001 Al\n0.830519 0.830516 0.830520 Al\n0.902676 0.249998 0.597326 Al\n0.097325 0.749999 0.402676 Al\n0.500001 0.499999 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n",
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"elements": [
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"formula_full": "Al10 Mo2",
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{
"id": "jvasp-99527",
"created_at": "2022-09-04T14:36:11.928994Z",
"updated_at": "2022-09-04T14:36:11.929006Z",
"structure_string": "Na3 Au1 F6\n1.0\n5.220500 -0.000000 3.014057\n1.740167 4.921935 3.014057\n-0.000000 -0.000000 6.028114\nNa Au F\n3 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.752349 0.247651 0.247651 F\n0.247651 0.247651 0.752349 F\n0.247651 0.752349 0.752349 F\n0.247651 0.752349 0.247651 F\n0.752349 0.247651 0.752349 F\n0.752350 0.752349 0.247651 F\n",
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"volume": 154.89215815732013,
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{
"id": "jvasp-111893",
"created_at": "2022-09-04T14:38:42.379208Z",
"updated_at": "2022-09-04T14:38:42.379237Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.925486 -0.033453 0.304841\n2.081040 4.462733 0.328035\n0.054031 -0.006258 7.827585\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369879 0.369880 0.290101 P\n0.630121 0.630120 0.709898 P\n0.762150 0.285507 0.687452 O\n0.686224 0.686160 0.890097 O\n0.237851 0.714493 0.312547 O\n0.235445 0.235466 0.438352 O\n0.764556 0.764534 0.561647 O\n0.714506 0.237747 0.312523 O\n0.313776 0.313840 0.109901 O\n0.285494 0.762253 0.687476 O\n",
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"elements": [
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"formula_full": "Ba1 Mo1 P2 O8",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-111911",
"created_at": "2022-09-04T14:38:42.489695Z",
"updated_at": "2022-09-04T14:38:42.489729Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n",
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{
"id": "jvasp-106445",
"created_at": "2022-09-04T14:36:56.728348Z",
"updated_at": "2022-09-04T14:36:56.728381Z",
"structure_string": "Rb2 Ta1 Ag1 Cl6\n1.0\n6.314741 -0.000000 3.645818\n2.104914 5.953595 3.645818\n-0.000000 -0.000000 7.291635\nRb Ta Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Ta\n0.000000 0.000000 0.000000 Ag\n0.740143 0.259857 0.259858 Cl\n0.259857 0.259857 0.740144 Cl\n0.259856 0.740144 0.740144 Cl\n0.259856 0.740144 0.259858 Cl\n0.740143 0.259857 0.740144 Cl\n0.740142 0.740144 0.259858 Cl\n",
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{
"id": "jvasp-123708",
"created_at": "2022-09-04T14:38:53.012578Z",
"updated_at": "2022-09-04T14:38:53.012608Z",
"structure_string": "Si1 Se2\n1.0\n0.967977 -3.461676 -0.077334\n2.513911 4.354222 -0.000000\n0.152573 -0.088088 5.864665\nSi Se\n1 2\ndirect\n-0.000000 0.166677 0.166667 Si\n0.500045 0.666683 0.419399 Se\n0.499955 0.166638 0.913933 Se\n",
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{
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"created_at": "2022-09-04T14:37:41.300275Z",
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"structure_string": "Ba1 Ca3 O4\n1.0\n5.079711 -0.000000 -0.000000\n0.000000 5.079711 0.000000\n-0.000000 0.000000 5.079711\nBa Ca O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 O\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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{
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"created_at": "2022-09-04T14:38:16.321365Z",
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"structure_string": "Ce3 P3 O12\n1.0\n3.582825 -6.205634 0.000000\n3.582825 6.205634 -0.000000\n-0.000000 0.000000 6.464935\nCe P O\n3 3 12\ndirect\n0.000001 0.500000 0.666667 Ce\n0.500001 0.500001 0.333333 Ce\n0.500000 0.000001 0.000000 Ce\n0.000001 0.500000 0.166667 P\n0.500001 0.500001 0.833334 P\n0.500000 0.000001 0.500000 P\n0.862692 0.308864 0.019900 O\n0.137310 0.691138 0.019900 O\n0.308863 0.446172 0.686566 O\n0.446172 0.137309 0.353233 O\n0.553829 0.691138 0.980101 O\n0.862692 0.553830 0.313434 O\n0.137309 0.446172 0.313434 O\n0.691138 0.553829 0.686566 O\n0.691138 0.137310 0.646767 O\n0.446172 0.308863 0.980101 O\n0.553830 0.862692 0.353233 O\n0.308864 0.862692 0.646767 O\n",
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]
}