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"results": [
{
"id": "jvasp-28764",
"created_at": "2022-09-04T14:37:29.504553Z",
"updated_at": "2022-09-04T14:37:29.504585Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223413 0.000000 -0.000003\n-1.611707 2.791569 -0.000004\n-0.000031 -0.000087 34.035989\nMo W Se S\n3 1 2 6\ndirect\n0.333314 0.666639 0.096798 Mo\n0.333331 0.666664 0.468448 Mo\n0.666670 0.333340 0.279222 Mo\n0.666682 0.333357 0.658443 W\n0.666656 0.333319 0.418186 Se\n0.666674 0.333348 0.518710 Se\n0.333330 0.666659 0.324968 S\n0.333346 0.666683 0.704384 S\n0.666643 0.333299 0.051106 S\n0.666654 0.333319 0.142531 S\n0.333339 0.666680 0.233498 S\n0.333347 0.666688 0.612451 S\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.796481 -0.007593 1.060866\n1.444521 5.425153 1.146272\n0.011909 0.015362 7.551483\nLi Mn Co O\n7 2 3 12\ndirect\n0.004000 0.500249 0.004803 Li\n-0.002722 0.825759 0.651613 Li\n0.484240 0.339087 0.177760 Li\n0.505379 0.662893 0.825977 Li\n0.999022 0.177339 0.340785 Li\n0.504180 0.998871 0.499004 Li\n0.998738 0.661149 0.340651 Li\n0.999633 0.998480 0.001614 Mn\n0.499852 0.825473 0.175273 Mn\n0.500773 0.165892 0.833137 Co\n0.500294 0.501892 0.497988 Co\n0.000936 0.335816 0.663294 Co\n0.747749 0.996577 0.229928 O\n0.253422 0.692673 0.077589 O\n0.239919 0.019060 0.761210 O\n0.724841 0.516680 0.252297 O\n0.747405 0.849540 0.927109 O\n0.251128 0.339003 0.433004 O\n0.738817 0.189936 0.596123 O\n0.761023 0.312135 0.906381 O\n0.750110 0.644355 0.584763 O\n0.253404 0.148944 0.075343 O\n0.262710 0.474001 0.737735 O\n0.275146 0.824191 0.406618 O\n",
"nsites": 24,
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"formula_full": "Li7 Mn2 Co3 O12",
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"formula_anonymous": "A2B3C7D12",
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},
{
"id": "jvasp-42255",
"created_at": "2022-09-04T14:36:16.680649Z",
"updated_at": "2022-09-04T14:36:16.680659Z",
"structure_string": "Li4 Ti3 V3 Te2 O16\n1.0\n5.898339 -0.001237 0.002342\n-2.948152 5.164796 0.016094\n-0.004259 0.020967 10.218654\nLi Ti V Te O\n4 3 3 2 16\ndirect\n0.334506 0.669027 0.098114 Li\n0.999443 0.998885 0.011720 Li\n-0.000401 -0.000767 0.507093 Li\n0.663396 0.326827 0.602181 Li\n0.162821 0.816685 0.779360 Ti\n0.653851 0.816691 0.779361 Ti\n0.824896 0.649817 0.273698 Ti\n0.352902 0.173150 0.283272 V\n0.820218 0.173150 0.283275 V\n0.174564 0.349141 0.787949 V\n0.330104 0.660239 0.492207 Te\n0.660263 0.320529 -0.000629 Te\n0.846971 0.693959 0.896959 O\n0.316970 0.154830 0.901457 O\n0.672078 0.344184 0.396058 O\n0.981852 0.497806 0.170346 O\n0.515931 0.497794 0.170335 O\n0.158476 0.316980 0.396387 O\n0.498142 0.512550 0.675251 O\n0.486210 0.972435 0.675136 O\n0.675663 0.839006 0.397770 O\n0.000452 0.000941 0.193813 O\n0.000706 0.001423 0.689833 O\n0.339304 0.678625 0.895261 O\n0.514846 0.029724 0.161453 O\n0.163308 0.839013 0.397774 O\n0.014381 0.512544 0.675254 O\n0.837854 0.154826 0.901458 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.08995728416543114,
"volume": 311.25884090173395,
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"formula_full": "Li4 Ti3 V3 Te2 O16",
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},
{
"id": "jvasp-106873",
"created_at": "2022-09-04T14:37:51.917614Z",
"updated_at": "2022-09-04T14:37:51.917637Z",
"structure_string": "Zn1 Co1 F6\n1.0\n4.360627 0.109117 2.876143\n1.604344 4.056237 2.876143\n0.156261 0.109117 5.221385\nZn Co F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Zn\n0.000000 0.000000 0.000000 Co\n0.615018 0.919257 0.229085 F\n0.919256 0.229088 0.615017 F\n0.770913 0.384982 0.080743 F\n0.080743 0.770914 0.384980 F\n0.384981 0.080745 0.770912 F\n0.229086 0.615020 0.919254 F\n",
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"formula_full": "Zn1 Co1 F6",
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"spacegroup": 148
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{
"id": "jvasp-106137",
"created_at": "2022-09-04T14:35:59.826090Z",
"updated_at": "2022-09-04T14:35:59.826108Z",
"structure_string": "Al4 Te6\n1.0\n6.595401 -0.031823 3.268138\n2.540539 6.086541 3.268138\n-0.038154 -0.025286 8.063951\nAl Te\n4 6\ndirect\n0.177205 0.987160 0.496954 Al\n0.808733 0.676904 0.504297 Al\n0.987161 0.177205 0.996953 Al\n0.676904 0.808733 0.004297 Al\n0.301405 0.140263 0.111317 Te\n0.987292 0.773748 0.118257 Te\n0.615821 0.448065 0.144128 Te\n0.140264 0.301405 0.611317 Te\n0.773748 0.987292 0.618257 Te\n0.448065 0.615821 0.644128 Te\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.456808275991182,
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"volume": 325.4625766362971,
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"formula_full": "Al4 Te6",
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"formula_anonymous": "A2B3",
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"spacegroup": 9
},
{
"id": "jvasp-115724",
"created_at": "2022-09-04T14:38:44.845442Z",
"updated_at": "2022-09-04T14:38:44.845473Z",
"structure_string": "Rb1 Sb1 Br1\n1.0\n6.275261 -0.000000 -0.000000\n-3.137631 5.434536 0.000000\n0.000000 0.000000 3.136978\nRb Sb Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Rb\n0.666667 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
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],
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"density_atomic": 0.028042421842208922,
"volume": 106.98077423129185,
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"formula_full": "Rb1 Sb1 Br1",
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},
{
"id": "jvasp-64845",
"created_at": "2022-09-04T14:36:17.654911Z",
"updated_at": "2022-09-04T14:36:17.654935Z",
"structure_string": "K1 Ba1 Tl1\n1.0\n0.000000 4.139642 4.139642\n4.139642 -0.000000 4.139642\n4.139642 4.139642 -0.000000\nK Ba Tl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 3,
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"elements": [
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"Ba",
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],
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"density": 4.456947268362066,
"density_atomic": 0.021144767071370748,
"volume": 141.87907532270202,
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"formula_full": "K1 Ba1 Tl1",
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},
{
"id": "jvasp-43324",
"created_at": "2022-09-04T14:35:44.899156Z",
"updated_at": "2022-09-04T14:35:44.899184Z",
"structure_string": "Mn2 O2 F2\n1.0\n4.745501 -0.092211 0.000000\n-0.600459 4.708261 0.000000\n0.000000 0.000000 3.006749\nMn O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.302435 0.302435 0.000000 O\n0.697565 0.697565 0.000000 O\n0.192461 0.807538 0.500000 F\n0.807538 0.192462 0.500000 F\n",
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"volume": 67.0134846854703,
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"formula_full": "Mn2 O2 F2",
"formula_reduced": "MnOF",
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"spacegroup": 65
},
{
"id": "jvasp-9218",
"created_at": "2022-09-04T14:38:17.238995Z",
"updated_at": "2022-09-04T14:38:17.239014Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.326649 -0.245740 -0.456612\n1.027042 10.311013 1.648507\n-0.368088 2.765683 8.070204\nMg Sn O\n4 4 8\ndirect\n0.821031 0.860949 0.115438 Mg\n0.195216 0.111563 0.865370 Mg\n0.125327 0.902492 0.723972 Mg\n0.890870 0.070025 0.256843 Mg\n0.314913 0.609104 0.099214 Sn\n0.531944 0.719668 0.533097 Sn\n0.484278 0.252850 0.447713 Sn\n0.701343 0.363399 0.881600 Sn\n0.138869 0.330281 0.753825 O\n0.410265 0.143962 0.297879 O\n0.605927 0.828562 0.682926 O\n0.877385 0.642237 0.226977 O\n0.763501 0.096384 0.003134 O\n-0.052503 0.853500 0.365487 O\n0.252748 0.876147 0.977672 O\n0.068718 0.119018 0.615319 O\n",
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"formula_full": "Mg4 Sn4 O8",
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{
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"created_at": "2022-09-04T14:37:00.743700Z",
"updated_at": "2022-09-04T14:37:00.743728Z",
"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
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{
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"created_at": "2022-09-04T14:36:58.262907Z",
"updated_at": "2022-09-04T14:36:58.262926Z",
"structure_string": "Rb2 Nb1 Ag1 F6\n1.0\n5.498111 -0.000000 3.174336\n1.832704 5.183669 3.174336\n-0.000000 -0.000000 6.348672\nRb Nb Ag F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ag\n0.766115 0.233885 0.233885 F\n0.233884 0.233885 0.766116 F\n0.233884 0.766116 0.766116 F\n0.233884 0.766116 0.233885 F\n0.766115 0.233885 0.766116 F\n0.766115 0.766116 0.233886 F\n",
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{
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"created_at": "2022-09-04T14:36:39.302143Z",
"updated_at": "2022-09-04T14:36:39.302183Z",
"structure_string": "Ni2 N2\n1.0\n3.373745 -0.000000 0.000000\n0.000000 3.373746 0.000000\n0.000000 0.000000 4.758831\nNi N\n2 2\ndirect\n0.500001 0.500001 0.000000 Ni\n0.500001 0.500001 0.500000 Ni\n0.000000 0.500001 0.500000 N\n0.500001 0.000000 0.000000 N\n",
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}
]
}