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{
"id": "jvasp-119422",
"created_at": "2022-09-04T14:38:51.312643Z",
"updated_at": "2022-09-04T14:38:51.312660Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.840785 -0.014689 -0.066511\n-1.477194 8.490738 -4.071832\n0.227597 0.115164 9.489633\nLi Mn Co O\n8 2 4 14\ndirect\n0.925715 0.851161 0.218746 Li\n0.215945 0.431643 0.360786 Li\n0.509787 0.019225 0.514217 Li\n0.775411 0.550401 0.637633 Li\n0.076609 0.153653 0.778764 Li\n0.351739 0.703082 0.926957 Li\n0.647376 0.295271 0.067763 Li\n0.142827 0.285327 0.580144 Li\n0.998053 0.996090 0.996763 Mn\n0.575341 0.150805 0.295313 Mn\n0.428194 0.856551 0.713681 Co\n0.712882 0.425563 0.850939 Co\n0.286244 0.572550 0.142258 Co\n0.857155 0.714437 0.429145 Co\n0.814654 0.628952 0.038659 O\n0.468371 0.937118 0.100705 O\n0.758224 0.516959 0.246774 O\n0.037456 0.075418 0.378469 O\n0.329777 0.660094 0.535107 O\n0.612244 0.224486 0.690140 O\n0.899109 0.798758 0.819873 O\n0.187011 0.374293 0.963279 O\n0.385639 0.771026 0.325262 O\n0.672059 0.344214 0.445118 O\n0.955788 0.911323 0.610535 O\n0.247115 0.493640 0.760790 O\n0.529821 0.059223 0.897292 O\n0.099509 0.198731 0.174890 O\n",
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"structure_string": "B3 H1\n1.0\n3.199502 0.150877 0.597437\n0.136626 -3.231658 0.416133\n-0.858385 -1.684289 -2.273749\nB H\n3 1\ndirect\n0.041819 0.047478 -0.011708 B\n0.532499 0.556809 0.478915 B\n0.129282 0.644244 0.733606 B\n0.591017 0.105850 0.732897 H\n",
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{
"id": "jvasp-122562",
"created_at": "2022-09-04T14:38:51.315254Z",
"updated_at": "2022-09-04T14:38:51.315283Z",
"structure_string": "Sn7 F1\n1.0\n6.468947 -0.000000 0.000000\n0.000000 6.468947 -0.000000\n0.000000 0.000000 6.468947\nSn F\n7 1\ndirect\n0.235192 0.235192 0.735192 Sn\n0.000000 0.500000 0.000000 Sn\n0.235192 0.764809 0.264808 Sn\n0.500000 0.000000 0.000000 Sn\n0.764809 0.235192 0.264808 Sn\n0.500000 0.500000 0.500000 Sn\n0.764809 0.764809 0.735192 Sn\n0.000000 0.000000 0.500000 F\n",
"nsites": 8,
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"elements": [
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"density": 5.213760770585088,
"density_atomic": 0.02955215854337297,
"volume": 270.70780593771514,
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"formula_full": "Sn7 F1",
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},
{
"id": "jvasp-122563",
"created_at": "2022-09-04T14:38:51.320914Z",
"updated_at": "2022-09-04T14:38:51.320934Z",
"structure_string": "Fe1 Sn7\n1.0\n6.454179 0.000000 0.000000\n-0.000000 6.454179 -0.000000\n0.000000 -0.000000 6.454179\nFe Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Fe\n0.231115 0.231115 0.731115 Sn\n0.000000 0.500000 0.000000 Sn\n0.231115 0.768886 0.268885 Sn\n0.500000 0.000000 0.000000 Sn\n0.768886 0.231115 0.268885 Sn\n0.500000 0.500000 0.500000 Sn\n0.768886 0.768886 0.731115 Sn\n",
"nsites": 8,
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"elements": [
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"density": 5.4772064384015575,
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"volume": 268.85803354467555,
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"spacegroup": 215
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{
"id": "jvasp-118700",
"created_at": "2022-09-04T14:38:51.324237Z",
"updated_at": "2022-09-04T14:38:51.324262Z",
"structure_string": "Mg1 Sb1 O1\n1.0\n3.014473 1.188693 0.000000\n0.285098 6.519804 0.000000\n0.000000 0.000000 3.245804\nMg Sb O\n1 1 1\ndirect\n-0.054677 -0.120722 0.000000 Mg\n-0.030704 0.405217 0.000000 Sb\n0.308606 0.045940 0.000000 O\n",
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"elements": [
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"volume": 62.692311927914226,
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{
"id": "jvasp-119143",
"created_at": "2022-09-04T14:38:51.324887Z",
"updated_at": "2022-09-04T14:38:51.324914Z",
"structure_string": "Sr3 Nd1 Mn2 O8\n1.0\n6.753506 -0.037717 0.000000\n-4.527853 5.010968 0.000000\n-0.000000 -0.000000 5.448675\nSr Nd Mn O\n3 1 2 8\ndirect\n0.643930 0.356070 -0.000000 Sr\n0.358560 0.641440 -0.000000 Sr\n0.855503 0.144497 0.500000 Sr\n0.137552 0.862448 0.500000 Nd\n0.498644 0.501356 0.500000 Mn\n0.998403 0.001596 -0.000000 Mn\n0.843120 0.156880 -0.000000 O\n0.331291 0.668710 0.500000 O\n0.658541 0.341459 0.500000 O\n0.160139 0.839862 -0.000000 O\n0.249565 0.242406 0.255572 O\n0.757595 0.750435 0.744429 O\n0.249565 0.242406 0.744429 O\n0.757595 0.750435 0.255572 O\n",
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"volume": 183.46138470734374,
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{
"id": "jvasp-117483",
"created_at": "2022-09-04T14:38:51.325447Z",
"updated_at": "2022-09-04T14:38:51.325474Z",
"structure_string": "B2 H1\n1.0\n2.947540 0.000000 0.000000\n-1.473770 2.552645 0.000000\n-0.000000 0.000000 2.595041\nB H\n2 1\ndirect\n0.333333 0.666665 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.000000 0.000000 H\n",
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"spacegroup": 191
},
{
"id": "jvasp-117551",
"created_at": "2022-09-04T14:38:51.325652Z",
"updated_at": "2022-09-04T14:38:51.325671Z",
"structure_string": "Ba1 C1\n1.0\n4.133360 -0.388587 0.805700\n-2.204689 -3.350064 -1.336892\n0.543356 -3.880984 -4.523502\nBa C\n1 1\ndirect\n0.980625 0.349589 0.154191 Ba\n0.980618 0.349586 0.654178 C\n",
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"spacegroup": 225
},
{
"id": "jvasp-116726",
"created_at": "2022-09-04T14:38:51.332674Z",
"updated_at": "2022-09-04T14:38:51.332700Z",
"structure_string": "La8 Mg4 Se16\n1.0\n4.190689 0.000000 0.000000\n0.000000 13.733954 0.000000\n-0.000000 0.000000 14.642689\nLa Mg Se\n8 4 16\ndirect\n0.250000 0.122967 0.073270 La\n0.750000 0.877033 0.926730 La\n0.750000 0.377033 0.573270 La\n0.250000 0.622967 0.426730 La\n0.250000 0.130995 0.706472 La\n0.750000 0.869005 0.293528 La\n0.750000 0.369005 0.206471 La\n0.250000 0.630994 0.793528 La\n0.750000 0.605925 0.035894 Mg\n0.250000 0.394075 0.964106 Mg\n0.250000 0.894074 0.535894 Mg\n0.750000 0.105925 0.464106 Mg\n0.250000 0.729544 0.986920 Se\n0.750000 0.270456 0.013080 Se\n0.250000 0.729538 0.252380 Se\n0.750000 0.270462 0.747620 Se\n0.750000 0.770462 0.752380 Se\n0.250000 0.229538 0.247620 Se\n0.250000 0.524957 0.614536 Se\n0.250000 0.001481 0.385374 Se\n0.750000 0.975043 0.114536 Se\n0.250000 0.024957 0.885464 Se\n0.750000 0.498518 0.885374 Se\n0.250000 0.501481 0.114626 Se\n0.250000 0.229544 0.513080 Se\n0.750000 0.998518 0.614626 Se\n0.750000 0.475043 0.385464 Se\n0.750000 0.770456 0.486920 Se\n",
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{
"id": "jvasp-120240",
"created_at": "2022-09-04T14:38:51.334137Z",
"updated_at": "2022-09-04T14:38:51.334156Z",
"structure_string": "H2 S2\n1.0\n3.927093 0.000000 -0.000000\n0.000000 3.927093 -0.000000\n0.000000 0.000000 3.883978\nH S\n2 2\ndirect\n0.000000 0.000000 0.818236 H\n0.500000 0.500000 0.181766 H\n0.000000 0.000000 0.471314 S\n0.500000 0.500000 0.528685 S\n",
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},
{
"id": "jvasp-119550",
"created_at": "2022-09-04T14:38:51.334850Z",
"updated_at": "2022-09-04T14:38:51.334878Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n4.975093 -0.043298 -1.524932\n-2.455224 5.610883 0.721330\n-0.077006 0.067218 8.691316\nLi V C O\n4 2 4 12\ndirect\n0.209997 0.466147 0.162464 Li\n0.798500 0.966208 0.337783 Li\n0.499620 0.045433 0.662341 Li\n0.588216 0.545606 0.837709 Li\n0.864096 0.506201 0.500225 V\n0.113826 0.005781 0.000207 V\n0.844337 0.604823 0.202396 C\n0.392146 0.104965 0.298143 C\n-0.004462 0.907098 0.702422 C\n0.042854 0.406891 0.798159 C\n0.784333 0.904694 0.755202 O\n0.965443 0.866035 0.554304 O\n0.246923 0.950932 0.809953 O\n0.187150 0.450692 0.691225 O\n0.551304 0.146433 0.446384 O\n0.492486 0.061280 0.191127 O\n0.129921 0.106798 0.244665 O\n0.855103 0.645882 0.054238 O\n0.051978 0.561078 0.309863 O\n0.160216 0.365281 0.946424 O\n0.635609 0.607140 0.255291 O\n0.778800 0.405060 0.744565 O\n",
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{
"id": "jvasp-118661",
"created_at": "2022-09-04T14:38:51.339498Z",
"updated_at": "2022-09-04T14:38:51.339517Z",
"structure_string": "Na2 Al2 Te2\n1.0\n4.152834 0.000000 0.000000\n0.000000 4.152834 0.000000\n0.000000 0.000000 9.220245\nNa Al Te\n2 2 2\ndirect\n0.000000 0.499999 0.123284 Na\n0.499999 0.000000 0.876717 Na\n0.499999 0.499999 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.499999 0.774085 Te\n0.499999 0.000000 0.225915 Te\n",
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]
}