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{
"id": "jvasp-108860",
"created_at": "2022-09-04T14:38:19.106354Z",
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"structure_string": "Na3 As1 F6\n1.0\n5.151706 -0.000000 2.974339\n1.717235 4.857075 2.974339\n-0.000000 -0.000000 5.948678\nNa As F\n3 1 6\ndirect\n0.750001 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.756985 0.243016 0.243015 F\n0.243016 0.243016 0.756985 F\n0.243016 0.756985 0.756984 F\n0.243016 0.756985 0.243015 F\n0.756985 0.243016 0.756985 F\n0.756986 0.756985 0.243015 F\n",
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{
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"structure_string": "V1 O2 F1\n1.0\n4.701382 -0.160645 2.045812\n3.755891 2.832328 2.045812\n0.122661 0.038749 4.287245\nV O F\n1 2 1\ndirect\n0.017357 0.017358 0.957119 V\n0.010667 0.010668 0.588566 O\n0.601815 0.601818 -0.023164 O\n0.823420 0.823424 0.259668 F\n",
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{
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"structure_string": "Al2 Zn1 S4\n1.0\n-1.842991 3.192155 0.000000\n-3.685982 -0.000000 -0.000000\n-1.842991 1.064051 12.151464\nAl Zn S\n2 1 4\ndirect\n0.236692 0.236692 0.289922 Al\n0.762163 0.762164 0.713506 Al\n0.999425 0.999426 0.001721 Zn\n0.122127 0.122127 0.633619 S\n0.876732 0.876733 0.369801 S\n0.702419 0.702421 0.892738 S\n0.296436 0.296436 0.110691 S\n",
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{
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"updated_at": "2022-09-04T14:36:55.524003Z",
"structure_string": "Sr1 Ca1 Al4\n1.0\n4.999904 -0.000000 2.886696\n1.666635 4.713955 2.886696\n0.000000 -0.000000 5.773392\nSr Ca Al\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.749999 0.749999 0.750002 Ca\n0.625603 0.124799 0.124800 Al\n0.124799 0.625603 0.124800 Al\n0.124799 0.124799 0.625604 Al\n0.124799 0.124799 0.124799 Al\n",
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{
"id": "jvasp-120285",
"created_at": "2022-09-04T14:38:53.572941Z",
"updated_at": "2022-09-04T14:38:53.572969Z",
"structure_string": "Li1 Nb1 S3\n1.0\n4.837745 0.000000 0.000000\n-0.000000 4.837745 -0.000000\n0.000000 0.000000 4.837745\nLi Nb S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 5,
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{
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"created_at": "2022-09-04T14:38:00.844343Z",
"updated_at": "2022-09-04T14:38:00.844366Z",
"structure_string": "Mg4 B4 O10\n1.0\n3.125719 -0.009671 0.009465\n-0.221524 6.188832 0.016821\n-0.061424 -2.313445 8.964685\nMg B O\n4 4 10\ndirect\n0.231771 0.209682 0.854521 Mg\n0.768232 0.790318 0.145479 Mg\n0.733708 0.373076 0.602773 Mg\n0.266295 0.626925 0.397227 Mg\n0.800110 0.317566 0.143049 B\n0.199893 0.682435 0.856951 B\n0.835150 0.879814 0.668557 B\n0.164853 0.120186 0.331443 B\n0.728998 0.274148 0.994870 O\n0.271005 0.725852 0.005130 O\n0.062872 0.861805 0.799447 O\n0.937131 0.138196 0.200553 O\n0.278080 0.906830 0.320257 O\n0.235596 0.304094 0.446824 O\n0.721923 0.093170 0.679743 O\n0.758460 0.521961 0.241184 O\n0.764407 0.695907 0.553176 O\n0.241543 0.478039 0.758816 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:10.884622Z",
"updated_at": "2022-09-04T14:38:10.884649Z",
"structure_string": "Li1 Co2 C4 O12\n1.0\n5.035875 0.084489 -0.035286\n-2.366497 5.518475 0.074813\n-0.084698 -0.108320 7.527643\nLi Co C O\n1 2 4 12\ndirect\n0.796170 0.197875 0.444925 Li\n0.997484 0.997459 0.000313 Co\n0.497116 0.508026 0.497839 Co\n0.759941 0.876215 0.733343 C\n0.263706 0.366857 0.763967 C\n0.728820 0.627327 0.230452 C\n0.251004 0.122833 0.268058 C\n0.529636 0.403633 0.736696 O\n-0.009213 0.114988 0.246183 O\n0.143806 0.312161 0.915176 O\n0.134149 0.407413 0.622426 O\n0.846009 0.568246 0.370190 O\n0.471017 0.613963 0.258579 O\n0.017248 0.884379 0.764933 O\n0.395017 0.185287 0.416220 O\n0.634210 0.831462 0.578275 O\n0.647535 0.936439 0.867932 O\n0.857532 0.681678 0.082236 O\n0.352512 0.057494 0.132088 O\n",
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"elements": [
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"density": 2.8751351746413,
"density_atomic": 0.090168898654819,
"volume": 210.71567118430764,
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"formula_full": "Li1 Co2 C4 O12",
"formula_reduced": "LiCo2(CO3)4",
"formula_anonymous": "AB2C4D12",
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{
"id": "jvasp-25667",
"created_at": "2022-09-04T14:37:45.496889Z",
"updated_at": "2022-09-04T14:37:45.496906Z",
"structure_string": "K6 Sc2 Si4 O14\n1.0\n2.826282 -4.895265 0.000000\n2.826282 4.895265 -0.000000\n-0.000000 0.000000 13.793198\nK Sc Si O\n6 2 4 14\ndirect\n0.333333 0.666666 0.592787 K\n0.000000 0.000000 0.750000 K\n0.666666 0.333333 0.407213 K\n0.333333 0.666666 0.907213 K\n0.666666 0.333333 0.092787 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666666 0.128868 Si\n0.666666 0.333333 0.871132 Si\n0.333333 0.666666 0.371132 Si\n0.666666 0.333333 0.628868 Si\n0.174448 0.348896 0.407920 O\n0.825551 0.174448 0.592080 O\n0.825551 0.174448 0.907920 O\n0.174448 0.825551 0.092080 O\n0.825551 0.651104 0.592080 O\n0.348896 0.174448 0.907920 O\n0.348896 0.174448 0.592080 O\n0.651104 0.825551 0.092080 O\n0.174448 0.348896 0.092080 O\n0.174448 0.825551 0.407920 O\n0.825551 0.651104 0.907920 O\n0.666666 0.333333 0.750000 O\n0.651104 0.825551 0.407920 O\n0.333333 0.666666 0.250000 O\n",
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"formula_full": "K6 Sc2 Si4 O14",
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{
"id": "jvasp-101978",
"created_at": "2022-09-04T14:37:51.400936Z",
"updated_at": "2022-09-04T14:37:51.400961Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
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{
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"structure_string": "Li6 V2 P2 C2 O14\n1.0\n0.000000 4.868063 0.115448\n6.193759 0.000000 0.000000\n0.000000 -0.355020 -8.696046\nLi V P C O\n6 2 2 2 14\ndirect\n0.678474 0.410708 0.872992 Li\n0.196379 0.428299 0.685366 Li\n0.733639 0.714882 0.634396 Li\n0.266360 0.214882 0.365605 Li\n0.803621 0.928300 0.314634 Li\n0.321525 0.910708 0.127008 Li\n0.245025 0.965846 0.761438 V\n0.754975 0.465846 0.238563 V\n0.294550 0.707357 0.423541 P\n0.705449 0.207357 0.576459 P\n0.791863 0.803834 0.976028 C\n0.208136 0.303834 0.023972 C\n0.378687 0.261052 0.140291 O\n0.139021 0.511500 0.353952 O\n0.194064 0.911561 0.335154 O\n0.737997 0.212598 0.399282 O\n0.609331 0.681823 0.405518 O\n0.390668 0.181823 0.594482 O\n0.047164 0.850073 0.959039 O\n0.805935 0.411561 0.664846 O\n0.860978 0.011500 0.646048 O\n0.621313 0.761052 0.859709 O\n0.297576 0.290462 0.884787 O\n0.702424 0.790462 0.115214 O\n0.262002 0.712599 0.600719 O\n-0.047164 0.350073 0.040961 O\n",
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{
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"structure_string": "Sr1 Al4\n1.0\n4.197061 -0.000000 -1.567857\n-0.585690 4.155994 -1.567857\n0.020905 0.024058 6.457531\nSr Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 Al\n0.249999 0.750000 0.499999 Al\n0.383722 0.383723 0.767444 Al\n0.616277 0.616277 0.232554 Al\n",
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{
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"structure_string": "Cr2 O6\n1.0\n4.776336 -0.000236 0.000522\n2.387987 4.198937 0.000136\n0.000547 -0.000158 5.760129\nCr O\n2 6\ndirect\n0.094894 0.795436 0.749988 Cr\n0.890399 0.204560 0.250002 Cr\n0.848339 0.552857 0.250015 O\n0.401035 0.447113 0.749972 O\n0.780116 0.762760 0.750044 O\n0.542926 0.237294 0.250055 O\n0.105138 0.000016 -0.000039 O\n0.105162 -0.000036 0.499964 O\n",
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}
]
}