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"results": [
{
"id": "jvasp-101923",
"created_at": "2022-09-04T14:36:55.742253Z",
"updated_at": "2022-09-04T14:36:55.742271Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.833546 0.159563 0.558946\n1.673126 4.408013 0.131868\n0.728581 -0.066207 14.829540\nZn H C O\n1 16 10 4\ndirect\n0.081324 0.089634 0.159627 Zn\n0.306726 0.931415 0.537026 H\n0.781872 0.311396 0.924784 H\n0.188009 0.277264 0.965712 H\n0.051248 0.382410 0.765060 H\n0.481313 0.326052 0.799853 H\n0.328036 0.419603 0.601627 H\n0.769640 0.353445 0.631810 H\n0.571600 0.447426 0.436536 H\n0.029507 0.366124 0.458069 H\n0.703608 0.850862 0.871135 H\n0.132034 0.798467 0.906948 H\n0.014989 0.899607 0.704030 H\n0.455268 0.832800 0.735546 H\n0.567044 0.970960 0.372190 H\n0.048577 0.838771 0.379707 H\n0.762626 0.847200 0.561598 H\n0.660948 0.582537 0.043983 C\n0.915384 0.448625 0.952116 C\n0.980199 0.674789 0.881090 C\n0.207399 0.506342 0.789208 C\n0.287515 0.715351 0.713737 C\n0.757622 0.557330 0.452246 C\n0.577173 0.739158 0.544090 C\n0.823498 0.758306 0.372828 C\n0.927786 0.604094 0.278092 C\n0.497353 0.538143 0.622177 C\n0.647068 0.401313 0.109159 O\n0.884348 0.770311 0.208317 O\n0.044009 0.309355 0.273189 O\n0.456655 0.872829 0.050335 O\n",
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"formula_full": "Zn1 H16 C10 O4",
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{
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"updated_at": "2022-09-04T14:36:22.006350Z",
"structure_string": "Ce2 Ga10 Ni1\n1.0\n4.292688 -0.000000 -0.684378\n-0.109110 4.291302 -0.684378\n-0.077968 -0.079975 13.315857\nCe Ga Ni\n2 10 1\ndirect\n0.642310 0.642310 0.284620 Ce\n0.357690 0.357691 0.715380 Ce\n0.803447 0.803447 0.606894 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.950652 0.450653 0.901304 Ga\n0.450652 0.950653 0.901304 Ga\n0.049348 0.549348 0.098696 Ga\n0.549348 0.049348 0.098696 Ga\n0.103973 0.103973 0.207945 Ga\n0.896027 0.896028 0.792055 Ga\n0.196553 0.196553 0.393106 Ga\n0.500000 0.500000 -0.000000 Ni\n",
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"density_atomic": 0.05309927543092596,
"volume": 244.8244329983563,
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"formula_anonymous": "AB2C10",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:37:16.622169Z",
"updated_at": "2022-09-04T14:37:16.622195Z",
"structure_string": "Ce2 Al2 Co15\n1.0\n6.255709 0.027959 0.798786\n0.706789 6.215717 0.798786\n0.031177 0.027959 6.306424\nCe Al Co\n2 2 15\ndirect\n0.645628 0.645628 0.645628 Ce\n0.354373 0.354373 0.354373 Ce\n0.105719 0.105719 0.105719 Al\n0.894281 0.894282 0.894281 Al\n0.351371 0.351371 0.853233 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.287095 0.712905 0.000001 Co\n0.712905 0.000000 0.287095 Co\n0.712905 0.287095 0.000001 Co\n0.853234 0.351371 0.351371 Co\n0.287095 0.000000 0.712904 Co\n0.648630 0.146767 0.648630 Co\n0.648630 0.648630 0.146767 Co\n0.146767 0.648630 0.648630 Co\n0.351370 0.853234 0.351371 Co\n0.000000 0.287095 0.712904 Co\n0.000000 0.712905 0.287095 Co\n",
"nsites": 19,
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"elements": [
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"density": 8.262813616804543,
"density_atomic": 0.07760976343043338,
"volume": 244.81455889285013,
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"formula_full": "Ce2 Al2 Co15",
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{
"id": "jvasp-57178",
"created_at": "2022-09-04T14:37:35.148702Z",
"updated_at": "2022-09-04T14:37:35.148720Z",
"structure_string": "K1 Na1 Mg2 Si4 O10 F2\n1.0\n5.279737 0.008903 -0.491698\n-2.679157 4.549486 -0.491698\n-0.056589 -0.099192 10.203134\nK Na Mg Si O F\n1 1 2 4 10 2\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 Na\n0.333808 0.666193 0.500000 Mg\n0.666192 0.333808 0.500000 Mg\n0.748680 0.088541 0.777028 Si\n0.911459 0.251320 0.222971 Si\n0.088541 0.748681 0.777028 Si\n0.251320 0.911459 0.222971 Si\n0.936882 0.443850 0.843951 O\n0.322423 0.959668 0.382694 O\n0.063118 0.556150 0.156048 O\n0.677577 0.040333 0.617305 O\n0.050975 0.050975 0.165575 O\n0.949025 0.949026 0.834424 O\n0.556150 0.063118 0.156048 O\n0.443850 0.936883 0.843951 O\n0.040333 0.677577 0.617305 O\n0.959667 0.322423 0.382694 O\n0.593442 0.593442 0.389203 F\n0.406558 0.406558 0.610796 F\n",
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"elements": [
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],
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"density": 2.855851220679124,
"density_atomic": 0.08169632699128838,
"volume": 244.80904756137545,
"volume_molar": 7.371372718680689,
"formula_full": "K1 Na1 Mg2 Si4 O10 F2",
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{
"id": "jvasp-105895",
"created_at": "2022-09-04T14:35:42.214509Z",
"updated_at": "2022-09-04T14:35:42.214532Z",
"structure_string": "Pr4 Mg2 Pd4\n1.0\n7.786271 0.000000 0.000000\n0.000000 7.786271 -0.000000\n0.000000 0.000000 4.037964\nPr Mg Pd\n4 2 4\ndirect\n0.670902 0.170902 0.500000 Pr\n0.329098 0.829098 0.500000 Pr\n0.170902 0.329098 0.500000 Pr\n0.829098 0.670902 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.130987 0.630987 0.000000 Pd\n0.869013 0.369013 0.000000 Pd\n0.630987 0.869013 0.000000 Pd\n0.369013 0.130987 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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"density": 7.040309570432351,
"density_atomic": 0.0408487270045228,
"volume": 244.80567041643167,
"volume_molar": 14.742542060939194,
"formula_full": "Pr4 Mg2 Pd4",
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"spacegroup": 127
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{
"id": "jvasp-12182",
"created_at": "2022-09-04T14:36:57.766410Z",
"updated_at": "2022-09-04T14:36:57.766429Z",
"structure_string": "Y2 Te6\n1.0\n4.350133 0.000000 0.000000\n0.000000 -0.000000 4.351234\n-2.175066 -12.933007 0.000000\nY Te\n2 6\ndirect\n0.170373 0.250000 0.340749 Y\n0.829625 0.749999 0.659252 Y\n0.926719 0.250000 0.853441 Te\n0.073279 0.749999 0.146559 Te\n0.573354 0.250000 0.146708 Te\n0.426645 0.749999 0.853292 Te\n0.294025 0.250000 0.588052 Te\n0.705974 0.749999 0.411948 Te\n",
"nsites": 8,
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"formula_full": "Y2 Te6",
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"spacegroup": 63
},
{
"id": "jvasp-52603",
"created_at": "2022-09-04T14:37:05.511898Z",
"updated_at": "2022-09-04T14:37:05.511930Z",
"structure_string": "V12 P7\n1.0\n4.673009 -8.093889 -0.000000\n4.673009 8.093889 -0.000000\n0.000000 -0.000000 3.236150\nV P\n12 7\ndirect\n0.198024 0.202501 0.500000 V\n0.747631 0.735123 0.000000 V\n0.869505 0.496598 0.000000 V\n0.503402 0.372907 0.000000 V\n0.627093 0.130495 0.000000 V\n0.797499 0.995524 0.500000 V\n0.987491 0.252369 0.000000 V\n0.264877 0.012509 0.000000 V\n0.489816 0.622634 0.500000 V\n0.004476 0.801976 0.500000 V\n0.132817 0.510184 0.500000 V\n0.377367 0.867183 0.500000 V\n0.829866 0.291651 0.500000 P\n0.285227 0.441798 0.000000 P\n0.156570 0.714773 0.000000 P\n0.558202 0.843430 0.000000 P\n0.461785 0.170134 0.500000 P\n0.000000 0.000000 0.000000 P\n0.708349 0.538215 0.500000 P\n",
"nsites": 19,
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"elements": [
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],
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"density": 5.617290687466562,
"density_atomic": 0.07761418475912656,
"volume": 244.80061291587313,
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{
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"created_at": "2022-09-04T14:36:02.171371Z",
"updated_at": "2022-09-04T14:36:02.171398Z",
"structure_string": "Ba4 Ga1 Sb1\n1.0\n-0.000000 4.964871 4.964871\n4.964871 -0.000000 4.964871\n4.964871 4.964871 -0.000000\nBa Ga Sb\n4 1 1\ndirect\n0.121983 0.626006 0.626006 Ba\n0.626006 0.626006 0.626006 Ba\n0.626006 0.121983 0.626006 Ba\n0.626006 0.626006 0.121983 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Sb\n",
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],
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"density_atomic": 0.02451304982811842,
"volume": 244.76758469758104,
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"formula_full": "Ba4 Ga1 Sb1",
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{
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"created_at": "2022-09-04T14:38:06.123378Z",
"updated_at": "2022-09-04T14:38:06.123395Z",
"structure_string": "Ba2 Hg6\n1.0\n3.613616 -6.258967 0.000000\n3.613616 6.258967 0.000000\n-0.000000 -0.000000 5.410766\nBa Hg\n2 6\ndirect\n0.333333 0.666668 0.750001 Ba\n0.666668 0.333333 0.250000 Ba\n0.695259 0.847630 0.250000 Hg\n0.152371 0.847630 0.250000 Hg\n0.152371 0.304742 0.250000 Hg\n0.304742 0.152371 0.750001 Hg\n0.847630 0.152371 0.750001 Hg\n0.847630 0.695259 0.750001 Hg\n",
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{
"id": "jvasp-64314",
"created_at": "2022-09-04T14:35:42.143123Z",
"updated_at": "2022-09-04T14:35:42.143142Z",
"structure_string": "Ba4 V1 Se1\n1.0\n-0.000000 4.964711 4.964711\n4.964711 0.000000 4.964711\n4.964711 4.964711 -0.000000\nBa V Se\n4 1 1\ndirect\n0.126906 0.624364 0.624364 Ba\n0.624364 0.624364 0.624364 Ba\n0.624364 0.126906 0.624364 Ba\n0.624364 0.624364 0.126906 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Se\n",
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],
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{
"id": "jvasp-64170",
"created_at": "2022-09-04T14:36:14.337606Z",
"updated_at": "2022-09-04T14:36:14.337631Z",
"structure_string": "Ba4 Hg1 Se1\n1.0\n0.000000 4.964706 4.964706\n4.964706 0.000000 4.964706\n4.964706 4.964706 -0.000000\nBa Hg Se\n4 1 1\ndirect\n0.121351 0.626217 0.626217 Ba\n0.626217 0.626217 0.626217 Ba\n0.626217 0.121351 0.626217 Ba\n0.626217 0.626217 0.121351 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Se\n",
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},
{
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"created_at": "2022-09-04T14:38:51.306909Z",
"updated_at": "2022-09-04T14:38:51.306933Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n4.790584 -0.131475 -0.290517\n-1.811595 6.407262 -0.310643\n0.034837 -0.003621 8.033863\nLi Mn P O\n2 2 4 14\ndirect\n0.436778 0.522841 0.931233 Li\n0.060875 0.972962 0.441364 Li\n0.508541 0.500922 0.497709 Mn\n0.009818 0.007000 -0.000850 Mn\n0.564798 0.160435 0.763169 P\n0.125446 0.739863 0.695132 P\n0.890853 0.269392 0.300002 P\n0.450120 0.841815 0.230006 P\n0.192662 0.933315 0.201839 O\n0.696248 0.411462 0.316415 O\n0.359710 0.671967 0.352626 O\n0.700852 0.029273 0.338966 O\n0.141664 0.286460 0.434150 O\n0.879218 0.715568 0.557907 O\n0.815656 0.069895 0.803487 O\n0.660505 0.335648 0.645431 O\n0.319459 0.592782 0.687437 O\n0.977862 0.259749 0.119949 O\n0.038148 0.751732 0.874743 O\n0.416251 0.219583 0.912161 O\n0.322717 0.972142 0.648499 O\n0.580733 0.785874 0.073765 O\n",
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],
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"spacegroup": 1
}
]
}