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{
"id": "jvasp-25242",
"created_at": "2022-09-04T14:38:16.490606Z",
"updated_at": "2022-09-04T14:38:16.490622Z",
"structure_string": "Ba2\n1.0\n4.377573 0.000000 -0.000000\n-2.188787 3.791090 -0.000000\n-0.000000 0.000000 7.140938\nBa\n2\ndirect\n0.333332 0.666667 0.250000 Ba\n0.666666 0.333333 0.750000 Ba\n",
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{
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"structure_string": "Ba2\n1.0\n2.188788 -3.791090 -0.000000\n2.188788 3.791090 -0.000000\n0.000000 -0.000000 7.140938\nBa\n2\ndirect\n0.333334 0.666668 0.250000 Ba\n0.666668 0.333334 0.750000 Ba\n",
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{
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"updated_at": "2022-09-04T14:38:13.295934Z",
"structure_string": "Li4 Cu2 Sb2 P4 O16\n1.0\n0.000000 4.758281 0.256818\n6.895640 0.000000 0.000000\n0.000000 -1.109395 -10.294860\nLi Cu Sb P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.967685 0.250000 0.260246 Cu\n0.032316 0.750000 0.739754 Cu\n0.441331 0.750000 0.218576 Sb\n0.558670 0.250000 0.781424 Sb\n0.562532 0.750000 0.926323 P\n0.098476 0.250000 0.567217 P\n0.901525 0.750000 0.432783 P\n0.437469 0.250000 0.073676 P\n0.673519 0.934227 0.867485 O\n0.673519 0.565773 0.867485 O\n0.259602 0.424398 0.648602 O\n0.259602 0.075602 0.648602 O\n0.778150 0.250000 0.565482 O\n0.808741 0.750000 0.568606 O\n0.191260 0.250000 0.431393 O\n0.764292 0.250000 0.079033 O\n0.740399 0.924398 0.351398 O\n0.740399 0.575602 0.351398 O\n0.326482 0.434227 0.132514 O\n0.326482 0.065773 0.132514 O\n0.235709 0.750000 0.920967 O\n0.716367 0.750000 0.076289 O\n0.221851 0.750000 0.434518 O\n0.283633 0.250000 0.923711 O\n",
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"formula_full": "Li4 Cu2 Sb2 P4 O16",
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{
"id": "jvasp-99382",
"created_at": "2022-09-04T14:36:15.704270Z",
"updated_at": "2022-09-04T14:36:15.704290Z",
"structure_string": "K1 Rb2 In1 I6\n1.0\n7.551319 -0.000000 4.359756\n2.517106 7.119452 4.359756\n-0.000000 -0.000000 8.719512\nK Rb In I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.763715 0.236286 0.236286 I\n0.236286 0.236286 0.763714 I\n0.236286 0.763714 0.763714 I\n0.236286 0.763714 0.236286 I\n0.763715 0.236286 0.763714 I\n0.763715 0.763714 0.236286 I\n",
"nsites": 10,
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"elements": [
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"I"
],
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"volume": 468.77189203913866,
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"formula_full": "K1 Rb2 In1 I6",
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{
"id": "jvasp-3372",
"created_at": "2022-09-04T14:36:05.658380Z",
"updated_at": "2022-09-04T14:36:05.658416Z",
"structure_string": "Rb2 Ni1 O2\n1.0\n3.971449 -0.000000 -1.199758\n-0.362442 3.954876 -1.199758\n0.003843 0.004212 7.185759\nRb Ni O\n2 1 2\ndirect\n0.348396 0.348398 0.696794 Rb\n0.651603 0.651605 0.303207 Rb\n0.000000 0.000000 0.000000 Ni\n0.870051 0.870050 0.740100 O\n0.129950 0.129951 0.259900 O\n",
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{
"id": "jvasp-59898",
"created_at": "2022-09-04T14:37:15.793172Z",
"updated_at": "2022-09-04T14:37:15.793196Z",
"structure_string": "Al2 Fe4 S8\n1.0\n6.837279 -0.024346 -0.046675\n-0.253183 6.832703 0.044616\n-3.294719 -3.400048 4.933359\nAl Fe S\n2 4 8\ndirect\n0.007490 0.027654 0.020147 Al\n0.007505 0.487385 0.479892 Al\n0.979156 -0.009755 0.488875 Fe\n0.510513 -0.041457 0.448011 Fe\n0.501389 -0.009720 0.011116 Fe\n0.510504 0.562449 0.051942 Fe\n0.752815 0.775335 0.022528 S\n0.769886 0.748910 0.520981 S\n0.752796 0.230268 0.477459 S\n0.738053 0.237862 0.000276 S\n0.252205 0.786856 0.534673 S\n0.237572 0.237802 0.499762 S\n0.227938 0.748937 -0.020992 S\n0.252152 0.217479 -0.034706 S\n",
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"density": 3.8477978281833036,
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"volume": 230.3916514045238,
"volume_molar": 9.910363962049242,
"formula_full": "Al2 Fe4 S8",
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{
"id": "jvasp-31920",
"created_at": "2022-09-04T14:37:07.623604Z",
"updated_at": "2022-09-04T14:37:07.623622Z",
"structure_string": "Fe2 Se2 Br14\n1.0\n6.489716 0.000000 0.000000\n0.000000 6.411474 -1.260008\n0.000000 0.037224 14.391633\nFe Se Br\n2 2 14\ndirect\n0.504171 0.557452 0.139910 Fe\n0.495829 0.557452 0.639910 Fe\n0.919215 0.842112 0.301619 Se\n0.080786 0.842111 0.801619 Se\n0.126160 0.118507 0.266562 Br\n0.343672 0.333171 0.511402 Br\n0.625422 0.472410 0.282607 Br\n0.656328 0.333171 0.011402 Br\n0.873840 0.118506 0.766562 Br\n0.620081 0.898617 0.141167 Br\n0.379919 0.898617 0.641167 Br\n0.132231 0.699055 0.407140 Br\n0.686891 0.041893 0.413113 Br\n0.313109 0.041892 0.913113 Br\n0.867770 0.699054 0.907140 Br\n0.145301 0.533480 0.129278 Br\n0.374578 0.472409 0.782607 Br\n0.854700 0.533480 0.629277 Br\n",
"nsites": 18,
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{
"id": "jvasp-9401",
"created_at": "2022-09-04T14:37:06.793984Z",
"updated_at": "2022-09-04T14:37:06.793995Z",
"structure_string": "Na4 Ga4 O8\n1.0\n5.341946 0.000000 0.000000\n0.000000 5.569543 0.000000\n0.000000 0.000000 7.235977\nNa Ga O\n4 4 8\ndirect\n0.014141 0.068026 0.622465 Na\n0.514142 0.431974 0.122464 Na\n0.514142 0.931974 0.377536 Na\n0.014141 0.568025 0.877536 Na\n-0.000055 0.064209 0.126065 Ga\n0.499946 0.935791 0.873935 Ga\n0.499946 0.435791 0.626065 Ga\n-0.000055 0.564208 0.373935 Ga\n0.153033 0.458901 0.590456 O\n0.653033 0.541099 0.409545 O\n0.653033 0.041099 0.090456 O\n0.153033 0.958901 0.909545 O\n0.082382 0.888877 0.338490 O\n0.082382 0.388877 0.161510 O\n0.582382 0.611122 0.838491 O\n0.582382 0.111123 0.661510 O\n",
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"formula_full": "Na4 Ga4 O8",
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{
"id": "jvasp-13348",
"created_at": "2022-09-04T14:36:55.864054Z",
"updated_at": "2022-09-04T14:36:55.864087Z",
"structure_string": "Ca2 Al4 Se8\n1.0\n6.163055 -0.060617 0.000000\n-2.921872 5.426748 0.000000\n0.000000 0.000000 10.634338\nCa Al Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ca\n0.500000 0.500000 0.750000 Ca\n0.235642 0.761199 0.000000 Al\n0.238801 0.764359 0.500000 Al\n0.761198 0.235641 0.500000 Al\n0.764358 0.238801 0.000000 Al\n0.000000 0.500000 0.173268 Se\n0.191362 0.346923 0.500000 Se\n0.346922 0.191362 0.000000 Se\n0.653077 0.808638 0.000000 Se\n0.499999 -0.000000 0.326732 Se\n0.499999 -0.000000 0.673268 Se\n0.808637 0.653077 0.500000 Se\n0.000000 0.500000 0.826732 Se\n",
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{
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"structure_string": "Sr2 Ca2 Ni2 P4 O16\n1.0\n5.534365 0.023110 -1.127025\n-1.504257 6.297415 -2.261725\n0.056290 0.017548 9.292460\nSr Ca Ni P O\n2 2 2 4 16\ndirect\n0.271276 0.805053 0.067342 Sr\n0.728723 0.194948 0.932658 Sr\n0.016985 0.422814 0.663515 Ca\n-0.016986 0.577188 0.336485 Ca\n0.645270 0.850512 0.557783 Ni\n0.354729 0.149489 0.442217 Ni\n0.156494 0.968293 0.703161 P\n0.843505 0.031708 0.296839 P\n0.385253 0.418112 0.225413 P\n0.614746 0.581889 0.774587 P\n0.357415 0.199173 0.241974 O\n0.633012 0.962117 0.371072 O\n0.589764 0.408431 0.609461 O\n0.410235 0.591570 0.390539 O\n0.143328 0.432150 0.118979 O\n0.735927 0.002632 0.125948 O\n0.264072 -0.002631 0.874053 O\n0.642584 0.800828 0.758026 O\n0.010837 0.735682 0.596889 O\n0.391646 0.538446 0.840896 O\n0.953485 0.101798 0.693423 O\n0.046514 0.898203 0.306577 O\n0.608353 0.461556 0.159104 O\n0.856671 0.567851 0.881022 O\n0.989162 0.264319 0.403111 O\n0.366987 0.037884 0.628928 O\n",
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{
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{
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"created_at": "2022-09-04T14:35:53.203994Z",
"updated_at": "2022-09-04T14:35:53.204021Z",
"structure_string": "Y4 Mg2\n1.0\n6.006563 -0.000000 -0.000000\n-3.003281 5.201835 0.000000\n-0.000000 0.000000 5.583546\nY Mg\n4 2\ndirect\n0.649648 0.000000 0.000000 Y\n0.350352 0.350352 0.000000 Y\n0.000000 0.649649 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666668 0.500000 Mg\n",
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]
}