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{
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"results": [
{
"id": "jvasp-117273",
"created_at": "2022-09-04T14:38:52.159316Z",
"updated_at": "2022-09-04T14:38:52.159337Z",
"structure_string": "Li4 Ni2 P4 O14\n1.0\n6.938847 0.035614 3.226805\n4.754441 5.054123 3.226805\n0.003902 0.001698 7.583715\nLi Ni P O\n4 2 4 14\ndirect\n0.938126 0.646439 0.807045 Li\n0.353560 0.061875 0.692955 Li\n0.646441 0.938124 0.307045 Li\n0.061875 0.353560 0.192956 Li\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.533779 0.247001 0.857364 P\n0.247001 0.533778 0.357364 P\n0.752999 0.466221 0.642637 P\n0.466222 0.752998 0.142637 P\n0.284215 0.940315 0.295633 O\n0.734801 0.661878 0.075674 O\n0.877701 0.332142 0.465911 O\n0.940316 0.284214 0.795633 O\n0.661879 0.734800 0.575674 O\n0.332143 0.877699 0.965910 O\n0.265199 0.338121 0.924327 O\n0.338122 0.265199 0.424327 O\n0.059684 0.715785 0.204368 O\n0.122300 0.667857 0.534090 O\n0.494272 0.505728 0.750000 O\n0.715786 0.059684 0.704368 O\n0.667858 0.122299 0.034090 O\n0.505729 0.494271 0.250001 O\n",
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{
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"created_at": "2022-09-04T14:37:09.667880Z",
"updated_at": "2022-09-04T14:37:09.667902Z",
"structure_string": "Ca6 B4 O12\n1.0\n6.340843 -0.029365 0.471532\n0.435592 6.325931 0.471532\n-0.031603 -0.029365 6.358273\nCa B O\n6 4 12\ndirect\n0.608654 0.891345 0.249999 Ca\n0.891346 0.249999 0.608653 Ca\n0.391346 0.108653 0.750000 Ca\n0.750000 0.391345 0.108654 Ca\n0.108654 0.749999 0.391346 Ca\n0.250000 0.608653 0.891345 Ca\n0.382211 0.382210 0.382210 B\n0.117789 0.117789 0.117789 B\n0.882211 0.882209 0.882210 B\n0.617789 0.617788 0.617789 B\n0.781532 0.602092 0.462018 O\n0.462018 0.781531 0.602093 O\n0.602093 0.462017 0.781532 O\n0.718468 0.037980 0.897906 O\n0.102094 0.281531 0.962018 O\n0.962018 0.102092 0.281532 O\n0.537982 0.218467 0.397906 O\n0.397906 0.537981 0.218467 O\n0.218468 0.397906 0.537981 O\n0.897906 0.718467 0.037981 O\n0.037982 0.897906 0.718467 O\n0.281532 0.962018 0.102093 O\n",
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"density": 3.0941205837281953,
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"volume": 255.29916601289483,
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"formula_full": "Ca6 B4 O12",
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"formula_anonymous": "A2B3C6",
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{
"id": "jvasp-11561",
"created_at": "2022-09-04T14:37:17.234278Z",
"updated_at": "2022-09-04T14:37:17.234305Z",
"structure_string": "Mg2 Ti2 F10\n1.0\n4.968637 0.063887 -1.861391\n-2.029381 4.851327 -0.708836\n-0.084894 -0.060101 7.453574\nMg Ti F\n2 2 10\ndirect\n0.277668 0.527668 0.750000 Mg\n0.722334 0.472334 0.250000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.000000 0.500000 Ti\n0.386200 0.136200 0.250000 F\n0.613802 0.863802 0.750000 F\n0.573644 0.716406 0.363833 F\n0.852571 0.209809 0.136167 F\n0.760776 0.669768 0.047977 F\n0.121791 0.712798 0.452023 F\n0.239227 0.330233 0.952023 F\n0.878211 0.287203 0.547977 F\n0.147431 0.790192 0.863833 F\n0.426359 0.283596 0.636167 F\n",
"nsites": 14,
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"density": 3.0940561076631874,
"density_atomic": 0.07802509951835075,
"volume": 179.42944112115276,
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"formula_full": "Mg2 Ti2 F10",
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{
"id": "jvasp-36559",
"created_at": "2022-09-04T14:37:29.285897Z",
"updated_at": "2022-09-04T14:37:29.285913Z",
"structure_string": "Cr2 N4\n1.0\n2.974337 3.251605 0.000000\n-3.700221 3.384698 0.000000\n0.362942 -3.318152 3.886177\nCr N\n2 4\ndirect\n0.000000 0.750000 -0.000000 Cr\n0.000000 0.250000 -0.000000 Cr\n0.913013 0.611036 0.222070 N\n0.086989 0.388965 0.777931 N\n0.309060 0.111036 0.222070 N\n0.690942 0.888966 0.777931 N\n",
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"elements": [
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"density": 3.0940520837414067,
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"volume": 85.88019648879104,
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"formula_full": "Cr2 N4",
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{
"id": "jvasp-12545",
"created_at": "2022-09-04T14:38:26.807028Z",
"updated_at": "2022-09-04T14:38:26.807056Z",
"structure_string": "Rb3 Mn2 Cl7\n1.0\n4.938390 -0.000000 -0.936730\n-0.177682 4.935192 -0.936730\n0.008124 0.008422 13.528661\nRb Mn Cl\n3 2 7\ndirect\n0.181633 0.181633 0.363265 Rb\n0.818367 0.818366 0.636735 Rb\n0.000000 0.000000 0.000000 Rb\n0.401534 0.401534 0.803069 Mn\n0.598466 0.598465 0.196931 Mn\n0.905342 0.405342 0.810685 Cl\n0.405342 0.905341 0.810685 Cl\n0.094658 0.594657 0.189315 Cl\n0.594658 0.094658 0.189315 Cl\n0.693879 0.693878 0.387757 Cl\n0.500000 0.500000 -0.000000 Cl\n0.306121 0.306121 0.612243 Cl\n",
"nsites": 12,
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"Mn",
"Cl"
],
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"density": 3.0937778174440984,
"density_atomic": 0.03638600500408579,
"volume": 329.79712938126943,
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"formula_anonymous": "A2B3C7",
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"spacegroup": 139
},
{
"id": "jvasp-12633",
"created_at": "2022-09-04T14:37:18.607119Z",
"updated_at": "2022-09-04T14:37:18.607140Z",
"structure_string": "K1 Fe1 S2 O8\n1.0\n4.674889 -0.044976 0.380713\n1.943416 4.252028 0.380713\n0.066553 0.042306 7.725372\nK Fe S O\n1 1 2 8\ndirect\n-0.000001 0.000001 0.500000 K\n0.000000 0.000000 0.000000 Fe\n0.623383 0.623383 0.193967 S\n0.376617 0.376618 0.806032 S\n0.249885 0.726494 0.820359 O\n0.273508 0.750115 0.179640 O\n0.750115 0.273507 0.179640 O\n0.726492 0.249886 0.820359 O\n0.243377 0.243379 0.955942 O\n0.756623 0.756622 0.044057 O\n0.317191 0.317192 0.634837 O\n0.682809 0.682808 0.365162 O\n",
"nsites": 12,
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"elements": [
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"O"
],
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"density": 3.0936627346120273,
"density_atomic": 0.07787885800736108,
"volume": 154.08546436140298,
"volume_molar": 7.7327029621194345,
"formula_full": "K1 Fe1 S2 O8",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-10795",
"created_at": "2022-09-04T14:38:06.183775Z",
"updated_at": "2022-09-04T14:38:06.183802Z",
"structure_string": "Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n",
"nsites": 12,
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],
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"density": 3.0935092845203997,
"density_atomic": 0.032897869963181114,
"volume": 364.7652572470573,
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"formula_full": "Rb4 Ge2 S6",
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},
{
"id": "jvasp-117930",
"created_at": "2022-09-04T14:38:52.063684Z",
"updated_at": "2022-09-04T14:38:52.063729Z",
"structure_string": "Y1 C1 N1\n1.0\n4.048191 -0.000000 0.000000\n-2.024096 3.505837 -0.000000\n-0.000000 0.000000 4.347400\nY C N\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 C\n0.333334 0.666668 0.000000 N\n",
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},
{
"id": "jvasp-92266",
"created_at": "2022-09-04T14:36:06.405515Z",
"updated_at": "2022-09-04T14:36:06.405533Z",
"structure_string": "Ca3 Bi1 P1\n1.0\n5.782887 0.000000 0.000000\n-0.000000 5.782887 0.000000\n0.000000 0.000000 5.782887\nCa Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
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"spacegroup": 221
},
{
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"created_at": "2022-09-04T14:37:09.421042Z",
"updated_at": "2022-09-04T14:37:09.421062Z",
"structure_string": "Li4 V2 F8\n1.0\n-5.855383 -0.000612 0.000829\n-2.926993 -5.202159 -0.011635\n-2.926993 1.540980 4.968701\nLi V F\n4 2 8\ndirect\n0.749999 0.115734 0.884265 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.884265 0.115734 Li\n-0.000000 0.500000 0.499999 Li\n0.500000 -0.000000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.990660 0.745696 0.254329 F\n0.517405 0.736297 0.728887 F\n0.982594 0.271112 0.263702 F\n0.509339 0.745670 0.254303 F\n0.490660 0.254330 0.745696 F\n0.017406 0.728887 0.736297 F\n0.482594 0.263702 0.271112 F\n0.009339 0.254304 0.745670 F\n",
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{
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"created_at": "2022-09-04T14:36:12.351116Z",
"updated_at": "2022-09-04T14:36:12.351125Z",
"structure_string": "Mg4 Ti4\n1.0\n9.284706 0.000000 0.000000\n0.000000 4.088110 -0.000000\n0.000000 -0.000000 4.084061\nMg Ti\n4 4\ndirect\n0.864926 0.499996 0.250000 Mg\n0.135075 -0.000004 0.250000 Mg\n0.864926 0.000004 0.750000 Mg\n0.135075 0.500004 0.750000 Mg\n0.604093 -0.000006 0.250000 Ti\n0.395908 0.499994 0.250000 Ti\n0.604093 0.500006 0.750000 Ti\n0.395908 0.000006 0.750000 Ti\n",
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{
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"created_at": "2022-09-04T14:38:01.629761Z",
"updated_at": "2022-09-04T14:38:01.629778Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.014000 0.000000 0.000000\n0.000000 6.332896 0.000000\n0.000000 0.000000 10.686587\nLi Co Si O\n4 4 4 16\ndirect\n0.759197 0.014294 0.160281 Li\n0.759197 0.485706 0.660281 Li\n0.259197 0.514295 0.339720 Li\n0.259197 0.985706 0.839720 Li\n0.258867 0.226793 0.585984 Co\n0.258867 0.273207 0.085984 Co\n0.758867 0.726793 0.914016 Co\n0.758867 0.773207 0.414016 Co\n0.763346 0.984050 0.670834 Si\n0.763346 0.515951 0.170834 Si\n0.263345 0.484050 0.829166 Si\n0.263345 0.015951 0.329166 Si\n0.130217 0.799833 0.389289 O\n0.697014 0.771333 0.585437 O\n0.697014 0.728668 0.085437 O\n0.130217 0.700167 0.889289 O\n0.090388 0.488140 0.175796 O\n0.647311 0.546790 0.314574 O\n0.147311 0.453210 0.685427 O\n0.590388 0.988141 0.324204 O\n0.630217 0.299833 0.110711 O\n0.197014 0.271332 0.914564 O\n0.197014 0.228668 0.414563 O\n0.630217 0.200167 0.610712 O\n0.090388 0.011860 0.675797 O\n0.147311 0.046790 0.185427 O\n0.590388 0.511860 0.824204 O\n0.647311 0.953211 0.814574 O\n",
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],
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"density_atomic": 0.08251488903637731,
"volume": 339.3326989466833,
"volume_molar": 7.298247419741538,
"formula_full": "Li4 Co4 Si4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 33
}
]
}