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{
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{
"id": "jvasp-37764",
"created_at": "2022-09-04T14:38:03.390395Z",
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"structure_string": "Na6 Dy2 Cl12\n1.0\n0.000000 6.750266 -0.002178\n7.261327 0.000000 0.000000\n0.000000 -6.560373 -10.091726\nNa Dy Cl\n6 2 12\ndirect\n0.710387 0.913343 0.242904 Na\n0.289614 0.413343 0.257097 Na\n0.289615 0.086657 0.757097 Na\n0.710387 0.586657 0.742904 Na\n0.500001 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.246995 0.808446 0.578990 Cl\n0.753007 0.308446 0.921011 Cl\n0.388303 0.320360 0.569034 Cl\n0.611699 0.820360 0.930967 Cl\n0.611698 0.679640 0.430966 Cl\n0.094901 0.062581 0.241680 Cl\n0.094901 0.437419 0.741680 Cl\n0.905101 0.937419 0.758321 Cl\n0.246995 0.691554 0.078990 Cl\n0.905101 0.562581 0.258321 Cl\n0.388303 0.179640 0.069034 Cl\n0.753006 0.191554 0.421010 Cl\n",
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{
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"structure_string": "Zr1 P2 H2 O6\n1.0\n2.751580 -4.765877 0.000000\n2.751580 4.765877 -0.000000\n-0.000000 -0.000000 5.333934\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.307288 P\n0.666667 0.333333 0.692711 P\n0.333333 0.666667 0.570402 H\n0.666667 0.333333 0.429597 H\n0.179689 0.820311 0.222638 O\n0.359379 0.179689 0.777362 O\n0.820311 0.640621 0.777362 O\n0.820311 0.179689 0.777362 O\n0.640621 0.820311 0.222638 O\n0.179689 0.359379 0.222638 O\n",
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"formula_full": "Zr1 P2 H2 O6",
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{
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"structure_string": "Mg2 O2\n1.0\n-1.752268 -3.034747 0.000000\n-1.752268 3.034747 -0.000000\n0.000000 0.000000 -4.221306\nMg O\n2 2\ndirect\n0.666675 0.333327 0.750001 Mg\n0.333327 0.666675 0.250000 Mg\n0.666675 0.333326 0.250000 O\n0.333326 0.666675 0.750001 O\n",
"nsites": 4,
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{
"id": "jvasp-85542",
"created_at": "2022-09-04T14:35:54.741620Z",
"updated_at": "2022-09-04T14:35:54.741646Z",
"structure_string": "Cu1 H4 O2 F2\n1.0\n3.111306 3.680802 -1.088031\n-3.111306 3.680802 1.088031\n0.037275 0.000000 3.332279\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.445642 0.229819 0.208343 H\n0.770181 0.554358 0.208343 H\n0.554359 0.770180 0.791658 H\n0.229819 0.445641 0.791658 H\n0.260553 0.260553 -0.000000 O\n0.739446 0.739446 -0.000000 O\n0.237445 0.762554 0.526630 F\n0.762555 0.237444 0.473371 F\n",
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{
"id": "jvasp-113487",
"created_at": "2022-09-04T14:38:47.193204Z",
"updated_at": "2022-09-04T14:38:47.193228Z",
"structure_string": "P2 Cl1\n1.0\n4.697552 0.000000 0.000000\n-2.348776 4.068199 -0.000000\n0.000000 0.000000 2.838782\nP Cl\n2 1\ndirect\n0.333332 0.666666 0.000000 P\n0.666666 0.333333 0.000000 P\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-94095",
"created_at": "2022-09-04T14:35:43.691817Z",
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"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.028132 0.049540 0.000000\n-2.971163 5.245285 0.000000\n0.000000 0.000000 4.808691\nMg Ga Ni\n6 1 1\ndirect\n0.164088 0.844999 0.250000 Mg\n0.655000 0.335912 0.250000 Mg\n0.662624 0.837375 0.250000 Mg\n0.329461 0.638685 0.750000 Mg\n0.861314 0.170539 0.750000 Mg\n0.836026 0.663973 0.750000 Mg\n0.335866 0.164134 0.750000 Ga\n0.155622 0.344378 0.250000 Ni\n",
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{
"id": "jvasp-55806",
"created_at": "2022-09-04T14:38:33.979343Z",
"updated_at": "2022-09-04T14:38:33.979366Z",
"structure_string": "K2 Mn2 P2 H4 O10\n1.0\n4.861874 0.000000 0.000000\n0.000000 5.703418 0.000000\n0.000000 0.000000 8.317321\nK Mn P H O\n2 2 2 4 10\ndirect\n0.628104 0.500000 0.458423 K\n0.128105 0.000000 0.541577 K\n0.522970 0.500000 0.019992 Mn\n0.022970 0.000000 0.980008 Mn\n0.083397 0.500000 0.778574 P\n0.583397 0.000000 0.221426 P\n0.073178 0.361382 0.202152 H\n0.573177 0.138618 0.797848 H\n0.073178 0.638618 0.202152 H\n0.573177 0.861382 0.797848 H\n0.725027 0.781519 0.138394 O\n0.194448 0.500000 0.214205 O\n0.694448 0.000000 0.785795 O\n0.272435 0.000000 0.184868 O\n0.772435 0.500000 0.815132 O\n0.635233 0.000000 0.402433 O\n0.135233 0.500000 0.597567 O\n0.725027 0.218482 0.138394 O\n0.225027 0.281519 0.861606 O\n0.225027 0.718482 0.861606 O\n",
"nsites": 20,
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"formula_full": "K2 Mn2 P2 H4 O10",
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{
"id": "jvasp-49946",
"created_at": "2022-09-04T14:38:09.522862Z",
"updated_at": "2022-09-04T14:38:09.522889Z",
"structure_string": "Na2 Ti2 O5\n1.0\n0.000000 3.695391 0.000000\n-5.873701 1.847696 -0.128710\n-1.031103 0.000000 5.667307\nNa Ti O\n2 2 5\ndirect\n0.601672 0.796659 0.351049 Na\n0.398330 0.203341 0.648952 Na\n0.146182 0.707637 0.896471 Ti\n0.853819 0.292362 0.103529 Ti\n0.127597 0.744806 0.592825 O\n0.678143 0.643715 0.003933 O\n0.321858 0.356285 0.996068 O\n0.872404 0.255193 0.407175 O\n0.000000 0.000000 0.000000 O\n",
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"volume": 123.5028498479488,
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{
"id": "jvasp-59202",
"created_at": "2022-09-04T14:38:11.414907Z",
"updated_at": "2022-09-04T14:38:11.414927Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n-5.170976 0.025757 -0.020399\n0.640064 6.900309 0.053779\n-0.184159 -3.090800 -7.384037\nLi Mn P O\n2 2 4 14\ndirect\n0.704607 0.147504 0.988784 Li\n0.265439 0.931254 0.441082 Li\n0.790165 0.756500 0.728339 Mn\n0.225366 0.220800 0.270377 Mn\n0.236884 0.120684 0.830404 P\n0.284915 0.458976 0.696404 P\n0.745789 0.872514 0.171374 P\n0.721117 0.530703 0.302659 P\n0.328883 0.145744 0.020438 O\n0.411631 0.994174 0.682918 O\n0.176916 0.275015 0.521347 O\n0.579266 0.504191 0.677504 O\n0.544860 0.990153 0.301823 O\n0.692226 0.858577 0.978799 O\n0.945791 0.045992 0.795739 O\n0.853147 0.699853 0.473908 O\n0.863721 0.332679 0.214695 O\n0.253003 0.362661 0.850015 O\n0.134795 0.650502 0.762415 O\n0.730766 0.630759 0.151260 O\n0.031167 0.953539 0.229262 O\n0.430013 0.484728 0.332117 O\n",
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{
"id": "jvasp-97762",
"created_at": "2022-09-04T14:36:11.685786Z",
"updated_at": "2022-09-04T14:36:11.685806Z",
"structure_string": "U2 H24 N4 O28\n1.0\n6.368628 3.924644 0.000000\n-6.368628 3.924644 0.000000\n-0.000000 0.000000 11.192078\nU H N O\n2 24 4 28\ndirect\n0.863536 0.863536 0.749542 U\n0.136463 0.136463 0.249542 U\n0.090986 0.618829 0.019035 H\n0.381170 0.909013 0.519035 H\n0.909013 0.381170 0.519035 H\n0.651742 0.911538 0.079856 H\n0.911538 0.651742 0.079856 H\n0.348257 0.088461 0.579856 H\n0.088461 0.348257 0.579856 H\n0.607141 0.201494 0.467992 H\n0.201494 0.607141 0.467992 H\n0.392858 0.798505 0.967992 H\n0.798505 0.392858 0.967992 H\n0.426114 0.685804 0.420998 H\n0.685804 0.426114 0.420998 H\n0.573885 0.314194 0.920998 H\n0.314194 0.573885 0.920998 H\n0.306541 0.843295 0.306594 H\n0.843295 0.306541 0.306594 H\n0.693458 0.156703 0.806594 H\n0.156703 0.693458 0.806594 H\n0.411614 0.949483 0.178674 H\n0.949483 0.411614 0.178674 H\n0.588385 0.050515 0.678674 H\n0.050515 0.588385 0.678674 H\n0.618829 0.090986 0.019035 H\n0.794092 0.794092 0.367408 N\n0.205907 0.205907 0.867408 N\n0.506019 0.506019 0.663688 N\n0.493980 0.493980 0.163688 N\n0.960736 0.552954 0.063988 O\n0.447045 0.039263 0.563988 O\n0.039263 0.447045 0.563988 O\n0.314021 0.720710 0.425899 O\n0.720710 0.314021 0.425899 O\n0.685978 0.279289 0.925899 O\n0.279289 0.685978 0.925899 O\n0.313368 0.940674 0.242662 O\n0.940674 0.313368 0.242662 O\n0.686631 0.059325 0.742662 O\n0.059325 0.686631 0.742662 O\n0.229458 0.229458 0.397495 O\n0.770541 0.770541 0.897495 O\n0.954956 0.954956 0.600545 O\n0.785273 0.956057 0.342147 O\n0.956057 0.785273 0.342147 O\n0.214726 0.043942 0.842147 O\n0.043942 0.214726 0.842147 O\n0.494380 0.323476 0.177845 O\n0.323476 0.494380 0.177845 O\n0.505619 0.676523 0.677845 O\n0.676523 0.505619 0.677845 O\n0.647868 0.647868 0.412995 O\n0.352131 0.352131 0.912995 O\n0.647935 0.647935 0.139552 O\n0.352064 0.352064 0.639552 O\n0.045042 0.045042 0.100544 O\n0.552954 0.960736 0.063988 O\n",
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{
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"created_at": "2022-09-04T14:36:52.930688Z",
"updated_at": "2022-09-04T14:36:52.930715Z",
"structure_string": "Mg1 Ti1 F6\n1.0\n4.547588 0.022515 2.913462\n1.604917 4.255033 2.913462\n0.032385 0.022515 5.400719\nMg Ti F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Mg\n0.000000 0.000000 0.000000 Ti\n0.346510 0.138620 0.757441 F\n0.138619 0.757442 0.346510 F\n0.242558 0.653490 0.861381 F\n0.861381 0.242560 0.653488 F\n0.653489 0.861382 0.242558 F\n0.757442 0.346512 0.138618 F\n",
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"formula_full": "Mg1 Ti1 F6",
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{
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"created_at": "2022-09-04T14:37:38.073803Z",
"updated_at": "2022-09-04T14:37:38.073817Z",
"structure_string": "Si4 P8 O28\n1.0\n0.000000 4.765939 0.002752\n6.372252 0.000000 0.000000\n0.000000 -0.014337 -14.825911\nSi P O\n4 8 28\ndirect\n0.750379 0.919281 0.864501 Si\n0.249620 0.419281 0.635500 Si\n0.249621 0.080719 0.135500 Si\n0.750379 0.580718 0.364501 Si\n0.262176 0.892552 0.331923 P\n0.737823 0.392552 0.168077 P\n0.737823 0.107448 0.668077 P\n0.262176 0.607448 0.831923 P\n0.745276 0.693137 0.572452 P\n0.745277 0.806863 0.072452 P\n0.254723 0.306863 0.427548 P\n0.254723 0.193137 0.927548 P\n0.659692 0.833086 0.974708 O\n0.289738 0.061293 0.411444 O\n0.340308 0.166913 0.025292 O\n0.659692 0.666913 0.474708 O\n0.340308 0.333087 0.525292 O\n0.051397 0.637641 0.591145 O\n0.545889 0.584091 0.637507 O\n0.545890 0.915909 0.137507 O\n0.454110 0.415909 0.362493 O\n0.948602 0.137641 0.908855 O\n0.710262 0.561293 0.088556 O\n0.454110 0.084091 0.862493 O\n0.710262 0.938706 0.588556 O\n0.550196 0.705659 0.819779 O\n0.050140 0.761068 0.869197 O\n0.949860 0.261068 0.630803 O\n0.949860 0.238931 0.130803 O\n0.050140 0.738931 0.369197 O\n0.051397 0.862359 0.091145 O\n0.449803 0.205659 0.680221 O\n0.449804 0.294341 0.180221 O\n0.550196 0.794341 0.319779 O\n0.160578 0.494169 0.747827 O\n0.839421 0.994169 0.752173 O\n0.839422 0.505831 0.252173 O\n0.160578 0.005831 0.247828 O\n0.289738 0.438706 0.911444 O\n0.948603 0.362359 0.408855 O\n",
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"spacegroup": 14
}
]
}