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{
"id": "jvasp-44433",
"created_at": "2022-09-04T14:38:10.484726Z",
"updated_at": "2022-09-04T14:38:10.484756Z",
"structure_string": "Li10 W2 N2 O8\n1.0\n4.595018 2.455129 0.000000\n-4.595018 2.455129 0.000000\n0.000000 0.000000 9.626159\nLi W N O\n10 2 2 8\ndirect\n0.234708 0.800034 0.995572 Li\n0.199967 0.765292 0.495572 Li\n0.438163 0.823535 0.743201 Li\n0.176465 0.561837 0.243201 Li\n0.427176 0.427176 0.472946 Li\n0.572824 0.572824 0.972946 Li\n0.823535 0.438163 0.743201 Li\n0.561837 0.176465 0.243201 Li\n0.800034 0.234708 0.995572 Li\n0.765292 0.199967 0.495572 Li\n0.182590 0.182590 0.751036 W\n0.817410 0.817410 0.251036 W\n0.178533 0.178533 0.267556 N\n0.821467 0.821467 0.767556 N\n0.541908 0.837938 0.379622 O\n0.162062 0.458092 0.879622 O\n0.578772 0.871840 0.111071 O\n0.128160 0.421228 0.611071 O\n0.871840 0.578772 0.111071 O\n0.421228 0.128160 0.611071 O\n0.837938 0.541908 0.379622 O\n0.458092 0.162062 0.879622 O\n",
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{
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"structure_string": "Hf1 Be1 Pt1\n1.0\n2.037504 -3.529060 -0.000000\n2.037504 3.529060 0.000000\n-0.000000 0.000000 3.235346\nHf Be Pt\n1 1 1\ndirect\n0.666666 0.333332 0.333326 Hf\n0.000000 0.000000 0.833334 Be\n0.333332 0.666666 0.833343 Pt\n",
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{
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"created_at": "2022-09-04T14:37:05.395036Z",
"updated_at": "2022-09-04T14:37:05.395062Z",
"structure_string": "Tc4 S4 O24 F4\n1.0\n6.841974 0.000000 -0.925321\n0.000000 7.986451 0.000000\n-0.044181 0.000000 8.933835\nTc S O F\n4 4 24 4\ndirect\n0.736285 0.344509 0.158067 Tc\n0.736285 0.155491 0.658067 Tc\n0.263714 0.655491 0.841932 Tc\n0.263714 0.844509 0.341933 Tc\n0.903858 0.767120 0.563244 S\n0.096141 0.232879 0.436756 S\n0.903858 0.732879 0.063244 S\n0.096142 0.267121 0.936756 S\n0.752431 0.134572 0.172260 O\n0.162090 0.114130 0.331580 O\n0.563088 0.399472 0.264018 O\n0.036075 0.341003 0.071168 O\n0.964276 0.360039 0.364052 O\n0.035724 0.639961 0.635948 O\n0.436912 0.600528 0.735981 O\n0.247569 0.865427 0.827740 O\n0.837910 0.885870 0.668419 O\n0.162090 0.385870 0.831580 O\n0.837909 0.614130 0.168419 O\n0.752431 0.365427 0.672259 O\n0.637529 0.379963 0.977262 O\n0.963925 0.658997 0.928831 O\n0.362471 0.879963 0.522737 O\n0.362471 0.620037 0.022737 O\n0.436912 0.899472 0.235981 O\n0.963925 0.841003 0.428832 O\n0.964276 0.139961 0.864051 O\n0.036075 0.158997 0.571168 O\n0.637529 0.120037 0.477262 O\n0.035724 0.860039 0.135948 O\n0.563088 0.100528 0.764018 O\n0.247569 0.634572 0.327740 O\n0.283763 0.334273 0.500115 F\n0.283763 0.165727 1.000115 F\n0.716237 0.665727 0.499884 F\n0.716237 0.834273 -0.000116 F\n",
"nsites": 36,
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{
"id": "jvasp-91941",
"created_at": "2022-09-04T14:38:07.092061Z",
"updated_at": "2022-09-04T14:38:07.092078Z",
"structure_string": "Fe6 Sn2\n1.0\n0.000000 -0.000000 -4.289801\n-2.730991 -4.730191 -0.000000\n-2.730991 4.730191 0.000000\nFe Sn\n6 2\ndirect\n0.750000 0.150241 0.300455 Fe\n0.750000 0.150198 0.849802 Fe\n0.750000 0.699545 0.849758 Fe\n0.250000 0.849758 0.699545 Fe\n0.250000 0.849802 0.150198 Fe\n0.250000 0.300455 0.150241 Fe\n0.750000 0.666680 0.333320 Sn\n0.250000 0.333320 0.666680 Sn\n",
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{
"id": "jvasp-17863",
"created_at": "2022-09-04T14:37:27.943346Z",
"updated_at": "2022-09-04T14:37:27.943372Z",
"structure_string": "Fe6 Sn2\n1.0\n2.730786 -4.729861 0.000000\n2.730786 4.729861 -0.000000\n-0.000000 0.000000 4.290037\nFe Sn\n6 2\ndirect\n0.699553 0.849777 0.250000 Fe\n0.849777 0.150224 0.750001 Fe\n0.300449 0.150224 0.750001 Fe\n0.150224 0.849777 0.250000 Fe\n0.150224 0.300449 0.250000 Fe\n0.849777 0.699553 0.750001 Fe\n0.666668 0.333334 0.250000 Sn\n0.333334 0.666668 0.750001 Sn\n",
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"spacegroup": 194
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{
"id": "jvasp-102634",
"created_at": "2022-09-04T14:36:53.037571Z",
"updated_at": "2022-09-04T14:36:53.037593Z",
"structure_string": "K2 Ta1 Nb1 O6\n1.0\n4.936762 -0.000000 2.850241\n1.645587 4.654424 2.850241\n-0.000000 -0.000000 5.700481\nK Ta Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.748946 0.251054 0.251054 O\n0.251055 0.748945 0.748946 O\n0.251055 0.748945 0.251054 O\n0.748946 0.251054 0.748946 O\n0.251054 0.251054 0.748946 O\n0.748946 0.748945 0.251054 O\n",
"nsites": 10,
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"density": 5.68006475608578,
"density_atomic": 0.07634495856281891,
"volume": 130.98441846388195,
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"formula_full": "K2 Ta1 Nb1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-34309",
"created_at": "2022-09-04T14:37:07.867799Z",
"updated_at": "2022-09-04T14:37:07.867814Z",
"structure_string": "Na2 Ag2 N4 O8\n1.0\n6.163107 -0.042366 -2.273902\n-2.962155 5.404750 -2.273902\n0.077321 0.129532 6.768981\nNa Ag N O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.750000 0.249999 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.020604 0.979397 0.500000 N\n0.479398 0.520602 0.500000 N\n0.797044 0.202955 0.000000 N\n0.202956 0.797044 0.000001 N\n0.594073 0.124455 0.820590 O\n0.828585 0.916850 0.314443 O\n0.303866 0.773483 0.179410 O\n0.485859 0.397591 0.314443 O\n0.602409 0.514141 0.685558 O\n0.875545 0.405926 0.179410 O\n0.226517 0.696135 0.820591 O\n0.083149 0.171416 0.685557 O\n",
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},
{
"id": "jvasp-43210",
"created_at": "2022-09-04T14:36:20.921409Z",
"updated_at": "2022-09-04T14:36:20.921434Z",
"structure_string": "Li4 Mn4 Sb2 O12\n1.0\n5.307996 0.193092 -0.000000\n-2.500521 4.686099 0.000000\n0.000000 -0.000000 10.059660\nLi Mn Sb O\n4 4 2 12\ndirect\n0.100510 0.600510 0.750000 Li\n0.399490 0.899490 0.250000 Li\n0.600510 0.100510 0.750000 Li\n0.899490 0.399490 0.250000 Li\n0.162301 0.837699 0.500000 Mn\n0.337699 0.662301 0.000000 Mn\n0.662301 0.337699 0.000000 Mn\n0.837700 0.162300 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.565888 0.195765 0.386509 O\n0.842056 0.842056 0.408211 O\n0.304235 0.934113 0.886509 O\n0.657945 0.657944 0.908211 O\n0.342056 0.342056 0.091789 O\n0.065888 0.695765 0.113491 O\n0.434113 0.804235 0.613491 O\n0.195765 0.565887 0.386509 O\n0.934113 0.304235 0.886509 O\n0.804236 0.434112 0.613491 O\n0.157944 0.157944 0.591789 O\n0.695765 0.065887 0.113491 O\n",
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],
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"formula_full": "Li4 Mn4 Sb2 O12",
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{
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"created_at": "2022-09-04T14:38:16.380171Z",
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"structure_string": "Hf3 Fe3 Ge3\n1.0\n3.260333 -5.647063 0.000000\n3.260333 5.647063 -0.000000\n0.000000 0.000000 3.704730\nHf Fe Ge\n3 3 3\ndirect\n-0.000000 0.415554 0.500000 Hf\n0.584445 0.584445 0.500000 Hf\n0.415554 -0.000000 0.500000 Hf\n-0.000000 0.759601 0.000000 Fe\n0.240398 0.240398 0.000000 Fe\n0.759601 -0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666666 0.000000 Ge\n0.666666 0.333333 0.000000 Ge\n",
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{
"id": "jvasp-23848",
"created_at": "2022-09-04T14:37:42.487679Z",
"updated_at": "2022-09-04T14:37:42.487700Z",
"structure_string": "Sr1 Sb12 Ru4\n1.0\n7.702103 -0.000000 -2.723105\n-3.851052 6.670218 -2.723105\n-0.000000 -0.000000 8.169315\nSr Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.658515 0.841455 0.499968 Sb\n0.158546 0.500031 0.341485 Sb\n0.500031 0.341485 0.158545 Sb\n0.817059 0.658515 0.158545 Sb\n0.841454 0.182941 0.341484 Sb\n0.499969 0.658515 0.841453 Sb\n0.341486 0.841455 0.182940 Sb\n0.158546 0.817060 0.658514 Sb\n0.841454 0.499969 0.658514 Sb\n0.341485 0.158546 0.500030 Sb\n0.182941 0.341485 0.841454 Sb\n0.658514 0.158546 0.817058 Sb\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.500000 0.499999 Ru\n",
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{
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"structure_string": "Pr1 Al1 H6\n1.0\n3.246245 1.874220 2.087605\n-3.246245 1.874220 2.087605\n-0.000000 -3.748443 2.087605\nPr Al H\n1 1 6\ndirect\n0.500001 0.500001 0.500001 Pr\n0.000000 0.000000 0.000000 Al\n0.936530 0.294142 0.294142 H\n0.294142 0.294142 0.936529 H\n0.294142 0.936530 0.294142 H\n0.063473 0.705861 0.705860 H\n0.705860 0.705860 0.063473 H\n0.705861 0.063473 0.705860 H\n",
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{
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"created_at": "2022-09-04T14:38:51.533510Z",
"updated_at": "2022-09-04T14:38:51.533540Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.854618 -0.000000 0.000000\n0.000000 4.917614 0.074790\n-0.000000 -0.032692 14.157802\nLi Mn Co O\n7 2 3 12\ndirect\n-0.000000 0.002203 0.485604 Li\n0.500000 0.816148 0.188893 Li\n-0.000000 0.659528 0.834793 Li\n-0.000000 0.337149 0.179709 Li\n0.500000 0.171924 0.831839 Li\n0.500000 0.516292 0.479290 Li\n-0.000000 0.667869 0.333689 Li\n-0.000000 0.993971 0.000787 Mn\n0.500000 0.837057 0.665698 Mn\n-0.000000 0.336475 0.666901 Co\n0.500000 0.168000 0.333150 Co\n0.500000 0.495287 0.000016 Co\n0.500000 0.158916 0.071174 O\n-0.000000 0.015317 0.258857 O\n0.500000 0.831434 0.924417 O\n-0.000000 0.671021 0.594351 O\n-0.000000 0.327259 0.925376 O\n0.500000 0.170921 0.596880 O\n0.500000 0.474125 0.255025 O\n-0.000000 0.999455 0.742155 O\n0.500000 0.861667 0.411656 O\n-0.000000 0.662326 0.070840 O\n-0.000000 0.320844 0.407438 O\n0.500000 0.504808 0.741465 O\n",
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]
}