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{
"id": "jvasp-119637",
"created_at": "2022-09-04T14:38:52.079800Z",
"updated_at": "2022-09-04T14:38:52.079826Z",
"structure_string": "Li2 Ca4 Fe2 N4\n1.0\n5.193449 -0.000000 0.000000\n0.000000 5.193449 0.000000\n-0.000000 -0.000000 6.764658\nLi Ca Fe N\n2 4 2 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.500000 0.250000 Ca\n-0.000000 0.500000 0.750000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.236814 0.236814 -0.000000 N\n0.763187 0.763187 -0.000000 N\n0.263187 0.736814 0.500000 N\n0.736814 0.263187 0.500000 N\n",
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{
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"structure_string": "Al1 As1 O1\n1.0\n4.254414 -0.000000 0.000000\n-2.127207 3.684431 -0.000000\n-0.000000 0.000000 2.968234\nAl As O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 As\n0.666666 0.333334 0.000000 O\n",
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{
"id": "jvasp-120739",
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"structure_string": "La1 Nd1 Co10\n1.0\n3.932560 0.000000 0.000000\n0.000000 4.999845 -0.000000\n-0.000000 0.000000 8.679056\nLa Nd Co\n1 1 10\ndirect\n0.000000 -0.000020 -0.000000 La\n-0.000000 0.499985 0.500000 Nd\n-0.000000 0.999981 0.331306 Co\n-0.000000 0.499988 0.833915 Co\n-0.000000 0.499988 0.166086 Co\n-0.000000 0.999981 0.668694 Co\n0.500000 -0.000017 0.500000 Co\n0.500000 0.499985 0.000000 Co\n0.500000 0.254426 0.254383 Co\n0.500000 0.745542 0.745617 Co\n0.500000 0.745542 0.254383 Co\n0.500000 0.254426 0.745617 Co\n",
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"volume": 170.64925202598815,
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},
{
"id": "jvasp-123607",
"created_at": "2022-09-04T14:38:52.085856Z",
"updated_at": "2022-09-04T14:38:52.085880Z",
"structure_string": "Pu1 P3\n1.0\n3.521319 -0.000000 -1.127570\n-0.046992 3.970798 -0.146752\n-0.177508 -0.190852 5.507847\nPu P\n1 3\ndirect\n0.335835 -0.007621 0.671672 Pu\n0.619926 0.057756 0.239850 P\n0.127271 0.439112 0.254541 P\n0.916968 0.510755 0.833938 P\n",
"nsites": 4,
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"elements": [
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"spacegroup": 8
},
{
"id": "jvasp-119603",
"created_at": "2022-09-04T14:38:52.086457Z",
"updated_at": "2022-09-04T14:38:52.086494Z",
"structure_string": "Li1 Mg17 Al11\n1.0\n8.567259 -0.045200 3.008016\n-4.176515 7.480421 3.008016\n0.035123 0.059476 9.098595\nLi Mg Al\n1 17 11\ndirect\n0.366107 0.366108 0.815088 Li\n0.315628 0.601654 -0.000201 Mg\n0.394457 0.709662 0.605719 Mg\n0.001901 0.317761 0.399685 Mg\n0.287215 0.686217 0.314758 Mg\n0.601428 -0.001524 0.684912 Mg\n-0.001525 0.601429 0.684913 Mg\n0.686217 0.287215 0.314758 Mg\n0.342862 0.004037 0.996905 Mg\n0.004036 0.342863 0.996905 Mg\n0.709661 0.394458 0.605719 Mg\n0.601654 0.315628 -0.000201 Mg\n0.397952 0.397952 0.284820 Mg\n0.656690 0.656691 0.347470 Mg\n0.003219 0.003220 0.997630 Mg\n0.681069 0.681070 0.713312 Mg\n0.996118 0.996119 0.655596 Mg\n0.317761 0.001901 0.399685 Mg\n0.817188 0.002350 0.368434 Al\n0.818161 0.183736 0.813476 Al\n0.635100 0.000440 0.187495 Al\n0.000439 0.635100 0.187495 Al\n0.812720 0.631413 0.003076 Al\n0.002349 0.817188 0.368435 Al\n0.365624 0.180603 0.631096 Al\n0.190208 0.190208 0.175400 Al\n0.180603 0.365625 0.631096 Al\n0.183735 0.818161 0.813476 Al\n0.631412 0.812721 0.003076 Al\n",
"nsites": 29,
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{
"id": "jvasp-122663",
"created_at": "2022-09-04T14:38:52.090194Z",
"updated_at": "2022-09-04T14:38:52.090214Z",
"structure_string": "Ga3 Fe1\n1.0\n4.153805 -0.038638 0.005047\n-2.044426 3.616063 -0.005047\n-0.002288 0.001349 4.654981\nGa Fe\n3 1\ndirect\n0.249963 0.750035 0.375006 Ga\n0.916689 0.083309 -0.006910 Ga\n0.583331 0.416667 0.756904 Ga\n0.250010 0.749987 0.875000 Fe\n",
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{
"id": "jvasp-119642",
"created_at": "2022-09-04T14:38:52.090522Z",
"updated_at": "2022-09-04T14:38:52.090550Z",
"structure_string": "Zr2 V2 Cu2 S8\n1.0\n6.265306 -0.011807 -3.511659\n-2.140657 5.858715 -3.560758\n0.028583 0.011807 7.182270\nZr V Cu S\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n-0.000000 0.000000 0.500000 V\n-0.000000 0.500000 0.000000 V\n0.382785 0.632786 0.750000 Cu\n0.617215 0.367215 0.250000 Cu\n0.244017 0.745146 0.001128 S\n0.244017 0.242890 0.498872 S\n0.224555 0.745855 0.478701 S\n0.767153 0.745855 0.021299 S\n0.755983 0.254855 -0.001128 S\n0.755983 0.757111 0.501128 S\n0.775445 0.254146 0.521299 S\n0.232846 0.254146 0.978701 S\n",
"nsites": 14,
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"elements": [
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],
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{
"id": "jvasp-117603",
"created_at": "2022-09-04T14:38:52.094076Z",
"updated_at": "2022-09-04T14:38:52.094096Z",
"structure_string": "Ba1 Mg1 Se2\n1.0\n4.325514 0.000000 0.000000\n0.000000 4.325514 0.000000\n-0.000000 0.000000 6.713278\nBa Mg Se\n1 1 2\ndirect\n0.500000 0.500000 0.521913 Ba\n0.000000 0.000000 0.054220 Mg\n0.000000 0.000000 0.431375 Se\n0.500000 0.500000 0.002493 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-111338",
"created_at": "2022-09-04T14:38:52.095190Z",
"updated_at": "2022-09-04T14:38:52.095219Z",
"structure_string": "Tb2 Pr1\n1.0\n3.506578 -0.012128 8.222464\n1.670295 3.083237 8.222464\n-0.020443 -0.012128 8.938937\nTb Pr\n2 1\ndirect\n0.224165 0.224165 0.224164 Tb\n0.997921 0.997917 0.997915 Tb\n0.777921 0.777918 0.777916 Pr\n",
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{
"id": "jvasp-120437",
"created_at": "2022-09-04T14:38:52.096462Z",
"updated_at": "2022-09-04T14:38:52.096482Z",
"structure_string": "Pb2 Cl4 O14\n1.0\n5.903610 0.206619 3.916827\n1.185757 5.786992 3.916827\n0.092027 0.077803 8.587875\nPb Cl O\n2 4 14\ndirect\n0.377995 0.622005 0.250000 Pb\n0.622006 0.377994 0.750000 Pb\n0.805807 0.800133 0.179942 Cl\n0.800134 0.805806 0.679942 Cl\n0.194194 0.199866 0.820058 Cl\n0.199867 0.194193 0.320058 Cl\n0.422729 0.288155 0.151721 O\n0.288156 0.422728 0.651721 O\n0.577272 0.711844 0.848279 O\n0.711845 0.577271 0.348279 O\n0.275333 0.931792 0.404323 O\n0.931793 0.275332 0.904323 O\n0.121847 0.268233 0.485634 O\n0.068208 0.724667 0.095677 O\n0.726817 0.273183 0.250000 O\n0.268234 0.121846 0.985634 O\n0.878154 0.731766 0.514366 O\n0.731767 0.878153 0.014366 O\n0.724668 0.068207 0.595677 O\n0.273184 0.726816 0.750000 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:52.096510Z",
"updated_at": "2022-09-04T14:38:52.096534Z",
"structure_string": "P3 Ru1\n1.0\n2.995789 -0.000000 -0.959289\n-0.226217 3.577999 -0.706459\n0.223561 -0.800856 5.855621\nP Ru\n3 1\ndirect\n0.586527 0.125317 0.173054 P\n0.138476 0.573807 0.276951 P\n0.908799 0.423933 0.817600 P\n0.366196 0.876941 0.732394 Ru\n",
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{
"id": "jvasp-119167",
"created_at": "2022-09-04T14:38:52.101227Z",
"updated_at": "2022-09-04T14:38:52.101245Z",
"structure_string": "Mn2 Fe8 Si6\n1.0\n6.656002 -0.019870 0.000000\n-3.288259 5.787064 0.000000\n-0.000000 -0.000000 4.667486\nMn Fe Si\n2 8 6\ndirect\n0.001783 0.234954 -0.000000 Mn\n0.234954 0.001783 -0.000000 Mn\n0.332100 0.665879 0.250069 Fe\n0.665879 0.332100 0.250069 Fe\n0.665879 0.332100 0.749932 Fe\n0.332100 0.665879 0.749932 Fe\n0.765934 0.765934 -0.000000 Fe\n0.998537 0.761121 0.500000 Fe\n0.761121 0.998537 0.500000 Fe\n0.241486 0.241486 0.500000 Fe\n0.999015 0.602986 -0.000000 Si\n0.602986 0.999015 -0.000000 Si\n0.398639 0.398639 -0.000000 Si\n-0.000577 0.393544 0.500000 Si\n0.393545 -0.000577 0.500000 Si\n0.605321 0.605321 0.500000 Si\n",
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"formula_full": "Mn2 Fe8 Si6",
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}