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{
"id": "jvasp-4376",
"created_at": "2022-09-04T14:38:16.748196Z",
"updated_at": "2022-09-04T14:38:16.748220Z",
"structure_string": "Mn2 Ni2\n1.0\n2.893856 0.000000 0.000000\n-0.000000 4.124678 0.000000\n0.000000 0.000000 4.124678\nMn Ni\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
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{
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"structure_string": "Sm2 Al2 Zn2\n1.0\n4.481649 0.032314 3.594470\n2.174790 3.918738 3.594470\n-0.001823 -0.001082 7.364191\nSm Al Zn\n2 2 2\ndirect\n0.533501 0.533501 0.211733 Sm\n0.466500 0.466499 0.788266 Sm\n0.163948 0.163948 0.382228 Al\n0.836053 0.836052 0.617771 Al\n0.835103 0.835102 0.212912 Zn\n0.164898 0.164898 0.787088 Zn\n",
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{
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"structure_string": "Nb1 Zn1 Pb2 O6\n1.0\n4.999805 -0.004628 3.011607\n1.699473 4.702112 3.011607\n-0.006600 -0.004628 5.836762\nNb Zn Pb O\n1 1 2 6\ndirect\n0.489168 0.489168 0.489169 Nb\n0.988254 0.988254 0.988257 Zn\n0.755794 0.755794 0.755796 Pb\n0.259747 0.259747 0.259748 Pb\n0.723906 0.723906 0.213681 O\n0.233215 0.233215 0.700111 O\n0.723907 0.213679 0.723908 O\n0.233215 0.700110 0.233217 O\n0.213679 0.723906 0.723908 O\n0.700110 0.233215 0.233217 O\n",
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"density_atomic": 0.07277721028143751,
"volume": 137.40565159517513,
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"formula_full": "Nb1 Zn1 Pb2 O6",
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{
"id": "jvasp-109636",
"created_at": "2022-09-04T14:38:16.752964Z",
"updated_at": "2022-09-04T14:38:16.752996Z",
"structure_string": "Rb1 Fe1 Cl3\n1.0\n4.931674 -0.000000 0.000000\n0.000000 4.931674 0.000000\n-0.000000 -0.000000 4.931674\nRb Fe Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
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"spacegroup": 221
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{
"id": "jvasp-5575",
"created_at": "2022-09-04T14:38:16.755652Z",
"updated_at": "2022-09-04T14:38:16.755678Z",
"structure_string": "Nb8 Te24 I4\n1.0\n0.000000 9.313847 -0.039329\n13.559543 0.000000 0.000000\n0.000000 -3.753654 -9.015653\nNb Te I\n8 24 4\ndirect\n0.824685 0.992967 0.870585 Nb\n0.175316 0.492967 0.629415 Nb\n0.175315 0.007033 0.129415 Nb\n0.824685 0.507033 0.370585 Nb\n0.475790 0.974977 0.631803 Nb\n0.524211 0.474977 0.868196 Nb\n0.524211 0.025023 0.368197 Nb\n0.475790 0.525023 0.131803 Nb\n0.085116 0.090389 0.838488 Te\n0.914885 0.590388 0.661511 Te\n0.545135 0.068652 0.911300 Te\n0.454866 0.568652 0.588700 Te\n0.454865 0.931348 0.088700 Te\n0.348663 0.855752 0.359023 Te\n0.651338 0.144248 0.640977 Te\n0.348663 0.644248 0.859023 Te\n0.085116 0.409611 0.338488 Te\n0.651338 0.355752 0.140977 Te\n0.545135 0.431348 0.411300 Te\n0.914884 0.909611 0.161512 Te\n0.955823 0.332445 0.532779 Te\n0.955823 0.167555 0.032779 Te\n0.044178 0.832445 0.967220 Te\n0.623403 0.692741 0.274312 Te\n0.376597 0.192741 0.225688 Te\n0.376597 0.307259 0.725688 Te\n0.623403 0.807259 0.774311 Te\n0.758916 0.601962 0.088589 Te\n0.241084 0.101962 0.411411 Te\n0.241084 0.398038 0.911411 Te\n0.758916 0.898038 0.588589 Te\n0.044178 0.667555 0.467220 Te\n0.812977 0.084240 0.345656 I\n0.187024 0.915759 0.654344 I\n0.812977 0.415759 0.845656 I\n0.187024 0.584240 0.154344 I\n",
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"elements": [
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"I"
],
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"density": 6.279447523577115,
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"spacegroup": 14
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{
"id": "jvasp-19788",
"created_at": "2022-09-04T14:38:16.755827Z",
"updated_at": "2022-09-04T14:38:16.755844Z",
"structure_string": "Ho2 C1\n1.0\n3.447648 0.023313 5.364205\n1.592621 3.057838 5.364205\n0.038137 0.023313 6.376482\nHo C\n2 1\ndirect\n0.740745 0.740742 0.740744 Ho\n0.259257 0.259256 0.259257 Ho\n0.000000 0.000000 0.000000 C\n",
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"volume": 66.13357937573998,
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"formula_full": "Ho2 C1",
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},
{
"id": "jvasp-11254",
"created_at": "2022-09-04T14:38:16.756278Z",
"updated_at": "2022-09-04T14:38:16.756297Z",
"structure_string": "Ni4 O8\n1.0\n5.602541 0.004807 0.003400\n2.805435 4.859155 -0.000000\n2.805435 1.619718 4.581255\nNi O\n4 8\ndirect\n0.273957 0.242015 0.242015 Ni\n0.629100 0.117645 0.626628 Ni\n0.629101 0.626627 0.117644 Ni\n0.629100 0.626627 0.626628 Ni\n0.396856 0.377816 0.377816 O\n0.396855 0.377816 0.847512 O\n0.396855 0.847511 0.377816 O\n0.847474 0.384175 0.384175 O\n0.412411 0.862527 0.862529 O\n0.840210 0.409409 0.875191 O\n0.840210 0.875190 0.409409 O\n0.840210 0.875190 0.875191 O\n",
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"elements": [
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"density": 4.833610121206791,
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"formula_full": "Ni4 O8",
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{
"id": "jvasp-43385",
"created_at": "2022-09-04T14:38:16.760109Z",
"updated_at": "2022-09-04T14:38:16.760136Z",
"structure_string": "Li4 V4 Fe4 O16\n1.0\n0.000000 5.880536 0.000021\n5.880510 0.000000 0.000000\n0.000000 -0.000041 -8.186840\nLi V Fe O\n4 4 4 16\ndirect\n0.759098 0.999997 0.750000 Li\n0.240903 0.999997 0.250000 Li\n0.000000 0.759094 0.000000 Li\n0.000000 0.240901 0.500000 Li\n0.500000 0.774063 0.000000 V\n0.774067 0.499997 0.749999 V\n0.225934 0.499997 0.250001 V\n0.500000 0.225931 0.500000 V\n0.253864 0.253863 0.874999 Fe\n0.746137 0.253863 0.125001 Fe\n0.253868 0.746131 0.625001 Fe\n0.746133 0.746131 0.374999 Fe\n0.023595 0.268918 0.243516 O\n0.976406 0.268918 0.756485 O\n0.510561 0.266762 0.732437 O\n0.489440 0.266762 0.267563 O\n0.266765 0.489436 0.482436 O\n0.733235 0.489436 0.517564 O\n0.266765 0.510558 0.017564 O\n0.268921 0.976401 0.993515 O\n0.489438 0.733232 0.232437 O\n0.510563 0.733232 0.767563 O\n0.023594 0.731075 0.256485 O\n0.976407 0.731075 0.743515 O\n0.731079 0.023593 0.493513 O\n0.731080 0.976401 0.006485 O\n0.733236 0.510558 0.982436 O\n0.268922 0.023593 0.506487 O\n",
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{
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"created_at": "2022-09-04T14:38:16.766521Z",
"updated_at": "2022-09-04T14:38:16.766532Z",
"structure_string": "Be1 Pd2\n1.0\n2.678518 0.000000 -0.715847\n-0.191314 2.671676 -0.715847\n-0.016809 -0.018055 5.306197\nBe Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.356608 0.356606 0.713214 Pd\n0.643394 0.643393 0.286786 Pd\n",
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{
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"structure_string": "Ca2 Zn2 Si2\n1.0\n2.116497 -3.665882 -0.000000\n2.116497 3.665882 0.000000\n-0.000000 0.000000 8.208338\nCa Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.750000 Zn\n0.666668 0.333334 0.250000 Si\n0.333334 0.666668 0.750000 Si\n",
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{
"id": "jvasp-44634",
"created_at": "2022-09-04T14:38:16.773926Z",
"updated_at": "2022-09-04T14:38:16.773950Z",
"structure_string": "Li4 V1 Fe3 O8\n1.0\n-5.043156 0.010679 0.012088\n0.011880 -5.531707 0.022585\n0.022670 0.061460 6.402490\nLi V Fe O\n4 1 3 8\ndirect\n0.991442 0.083309 0.618951 Li\n0.501184 0.424751 0.127714 Li\n0.993656 0.573853 0.875127 Li\n0.499547 0.909377 0.376863 Li\n0.501620 0.919278 0.876133 V\n0.989602 0.085544 0.129321 Fe\n0.503622 0.420257 0.622101 Fe\n-0.004722 0.580923 0.374630 Fe\n0.377921 0.071438 0.104217 O\n0.392430 0.079982 0.651016 O\n0.885184 0.415046 0.124047 O\n0.883141 0.416143 0.623688 O\n0.377759 0.576758 0.378152 O\n0.393417 0.612299 0.869567 O\n0.885137 0.913123 0.371598 O\n0.855469 0.917921 0.876885 O\n",
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"formula_full": "Li4 V1 Fe3 O8",
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{
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"created_at": "2022-09-04T14:38:16.775030Z",
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"structure_string": "Rb2 Na1 Ho1 F6\n1.0\n5.410909 -0.000000 -3.101718\n-1.778010 5.110441 -3.101719\n-0.001483 -0.002086 6.267904\nRb Na Ho F\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Rb\n0.750000 0.250000 0.499999 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 Ho\n0.743351 0.743350 0.486701 F\n0.256650 0.256649 0.513298 F\n0.773918 0.713308 -0.000000 F\n0.286692 0.773917 -0.000000 F\n0.226083 0.286692 -0.000000 F\n0.713308 0.226083 -0.000000 F\n",
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],
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"volume": 173.25088287352474,
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"formula_full": "Rb2 Na1 Ho1 F6",
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"formula_anonymous": "ABC2D6",
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}