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{
"id": "jvasp-115855",
"created_at": "2022-09-04T14:38:48.827771Z",
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"structure_string": "Cd1 P2\n1.0\n5.384769 0.000000 0.000000\n0.000000 5.129110 0.000000\n0.000000 0.000000 2.684379\nCd P\n1 2\ndirect\n0.000000 0.423984 0.000000 Cd\n0.207883 0.924008 0.000000 P\n0.792117 0.924008 0.000000 P\n",
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{
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{
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"updated_at": "2022-09-04T14:35:43.488050Z",
"structure_string": "Mg1 Zr1 Be1\n1.0\n-1.513702 1.513702 5.777782\n1.513702 -1.513702 5.777782\n1.513702 1.513702 -5.777782\nMg Zr Be\n1 1 1\ndirect\n0.357286 0.357286 0.000000 Mg\n0.642036 0.642036 0.000000 Zr\n0.000677 0.000677 0.000000 Be\n",
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{
"id": "jvasp-117276",
"created_at": "2022-09-04T14:38:46.765230Z",
"updated_at": "2022-09-04T14:38:46.765257Z",
"structure_string": "Li4 Al4 Ni4 O12\n1.0\n5.328401 -0.040994 -1.664262\n2.201105 5.095653 -1.922470\n0.083142 -0.024111 8.757941\nLi Al Ni O\n4 4 4 12\ndirect\n0.941552 0.132511 0.376855 Li\n0.441551 0.632512 0.876860 Li\n0.558447 0.367490 0.123142 Li\n0.058447 0.867490 0.623144 Li\n0.627185 0.786450 0.376085 Al\n0.127186 0.286452 0.876085 Al\n0.872813 0.713550 0.123915 Al\n0.372813 0.213549 0.623915 Al\n0.281497 0.463974 0.370296 Ni\n0.218503 0.036029 0.129705 Ni\n0.781495 0.963971 0.870295 Ni\n0.718502 0.536027 0.629704 Ni\n0.860841 0.021190 0.115897 O\n0.942504 0.789643 0.359341 O\n0.442503 0.289643 0.859342 O\n0.557494 0.710357 0.140658 O\n0.057496 0.210357 0.640658 O\n0.327636 0.095749 0.385180 O\n0.827634 0.595749 0.885180 O\n0.172364 0.404253 0.114819 O\n0.672362 0.904252 0.614819 O\n0.639159 0.478810 0.384102 O\n0.139159 0.978810 0.884102 O\n0.360838 0.521192 0.615898 O\n",
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{
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"created_at": "2022-09-04T14:37:31.963434Z",
"updated_at": "2022-09-04T14:37:31.963444Z",
"structure_string": "Na2 Mg8 As6 O24\n1.0\n6.525720 0.000000 -2.179196\n-0.727720 6.485017 -2.179196\n-0.018978 -0.021227 10.803575\nNa Mg As O\n2 8 6 24\ndirect\n0.250000 0.750000 0.499999 Na\n0.500000 0.500000 -0.000000 Na\n0.875000 0.881581 0.249999 Mg\n0.375000 0.368419 0.250000 Mg\n0.118419 0.625000 0.749999 Mg\n0.520699 0.020699 0.041398 Mg\n0.979301 0.479301 0.958601 Mg\n0.229301 0.229301 0.458601 Mg\n0.770699 0.770699 0.541398 Mg\n0.631581 0.125000 0.749999 Mg\n0.000000 0.000000 0.000000 As\n0.375000 0.781397 0.250000 As\n0.531397 0.625000 0.749999 As\n0.218603 0.125000 0.749999 As\n0.875000 0.468603 0.249999 As\n0.750000 0.250000 0.499999 As\n0.318058 0.105541 0.618134 O\n0.300076 0.512594 0.618134 O\n0.262594 0.550076 0.118134 O\n0.894459 0.699924 0.381865 O\n0.736474 0.085556 0.588637 O\n0.449924 0.144459 0.881865 O\n0.852164 0.503081 0.588637 O\n0.253081 0.102164 0.088638 O\n0.914444 0.147836 0.411362 O\n0.496919 0.263526 0.411362 O\n0.013526 0.746919 0.911362 O\n0.897836 0.164444 0.911361 O\n0.835556 0.986474 0.088637 O\n0.431941 0.737406 0.881865 O\n0.071793 0.892512 0.697300 O\n0.554788 0.875508 0.197300 O\n0.107488 0.374492 0.302699 O\n0.195212 0.928208 0.302699 O\n0.678207 0.445212 0.802698 O\n0.124492 0.357488 0.802699 O\n0.642511 0.321793 0.197300 O\n0.855541 0.568059 0.118134 O\n0.625508 0.804788 0.697300 O\n0.487406 0.681942 0.381865 O\n",
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"density_atomic": 0.08760457855272576,
"volume": 456.597139793619,
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"formula_full": "Na2 Mg8 As6 O24",
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"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-64386",
"created_at": "2022-09-04T14:37:51.483171Z",
"updated_at": "2022-09-04T14:37:51.483192Z",
"structure_string": "Ba4 Ni1 Cl1\n1.0\n-0.000000 5.152425 5.152425\n5.152425 0.000000 5.152425\n5.152425 5.152425 0.000000\nBa Ni Cl\n4 1 1\ndirect\n0.124411 0.625197 0.625197 Ba\n0.625197 0.625197 0.625197 Ba\n0.625197 0.124411 0.625197 Ba\n0.625197 0.625197 0.124411 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Cl\n",
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},
{
"id": "jvasp-119160",
"created_at": "2022-09-04T14:38:35.907152Z",
"updated_at": "2022-09-04T14:38:35.907162Z",
"structure_string": "Nb5 V3 S20\n1.0\n8.537149 -0.043933 4.116578\n5.938166 6.133762 4.116578\n-0.052097 -0.021918 10.138527\nNb V S\n5 3 20\ndirect\n0.330459 0.834455 0.862046 Nb\n0.834456 0.330459 0.862046 Nb\n0.166051 0.166051 0.140498 Nb\n0.666308 0.666308 0.141474 Nb\n0.801642 0.801642 0.592115 Nb\n0.304027 0.304027 0.592242 V\n0.694092 0.204089 0.403648 V\n0.204090 0.694092 0.403648 V\n0.979679 0.478210 0.253212 S\n0.310837 0.809767 0.137832 S\n0.809767 0.310837 0.137832 S\n0.959717 0.442069 0.587760 S\n0.686855 0.686854 0.869173 S\n0.442070 0.959717 0.587760 S\n0.478211 0.979679 0.253212 S\n0.189408 0.189408 0.863277 S\n0.521759 0.521759 0.747600 S\n0.616561 0.133099 0.662080 S\n0.883885 0.883884 0.326421 S\n0.378645 0.378645 0.336452 S\n0.046146 0.046146 0.411007 S\n0.133100 0.616561 0.662080 S\n0.036402 0.536494 0.022545 S\n0.536494 0.036402 0.022545 S\n0.462360 0.462360 0.978175 S\n0.961634 0.961633 0.980790 S\n0.019001 0.019000 0.749946 S\n0.546350 0.546350 0.412595 S\n",
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{
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"created_at": "2022-09-04T14:36:46.099280Z",
"updated_at": "2022-09-04T14:36:46.099306Z",
"structure_string": "K2 Tl1 Ga1 Br6\n1.0\n6.873948 -0.000000 3.968676\n2.291316 6.480820 3.968676\n-0.000000 -0.000000 7.937351\nK Tl Ga Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.771855 0.228145 0.228146 Br\n0.228146 0.228145 0.771855 Br\n0.228146 0.771855 0.771855 Br\n0.228146 0.771855 0.228146 Br\n0.771855 0.228145 0.771855 Br\n0.771855 0.771855 0.228146 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:38:17.541656Z",
"updated_at": "2022-09-04T14:38:17.541669Z",
"structure_string": "In1 Pb1 Cl3\n1.0\n5.667812 0.011944 0.067344\n-0.034905 5.668057 0.050269\n-0.046215 -0.030384 5.668052\nIn Pb Cl\n1 1 3\ndirect\n0.927852 0.915877 0.086178 In\n0.507647 0.495720 0.506285 Pb\n0.557497 -0.000898 0.458166 Cl\n0.011061 0.543938 0.456497 Cl\n0.555939 0.545368 0.002868 Cl\n",
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{
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"created_at": "2022-09-04T14:38:26.249680Z",
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"structure_string": "Li4 Co1 Sn3 P4 O16\n1.0\n6.834042 -0.000000 0.000000\n0.000000 4.769405 0.105485\n0.000000 0.011612 10.731037\nLi Co Sn P O\n4 1 3 4 16\ndirect\n0.277885 0.950278 0.003458 Li\n0.722115 0.950278 0.003458 Li\n0.765330 0.505249 0.485628 Li\n0.234670 0.505249 0.485628 Li\n-0.000000 0.042654 0.270457 Co\n-0.000000 0.450251 0.782029 Sn\n0.500000 0.557110 0.217837 Sn\n0.500000 0.920228 0.703241 Sn\n-0.000000 0.924786 0.557578 P\n-0.000000 0.621595 0.101641 P\n0.500000 0.365232 0.928082 P\n0.500000 0.110955 0.419709 P\n0.820300 0.794542 0.628891 O\n0.500000 0.789904 0.433032 O\n0.500000 0.683041 0.946999 O\n0.178931 0.767542 0.163389 O\n0.821069 0.767542 0.163389 O\n-0.000000 0.719312 0.960961 O\n0.500000 0.207400 0.057390 O\n0.315753 0.232378 0.349811 O\n0.317035 0.257372 0.855001 O\n-0.000000 0.301402 0.118530 O\n-0.000000 0.245761 0.553478 O\n0.684246 0.232378 0.349811 O\n0.179700 0.794542 0.628891 O\n0.500000 0.246892 0.552929 O\n0.682965 0.257372 0.855001 O\n-0.000000 0.798735 0.423744 O\n",
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{
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"structure_string": "Sc6 Si6 Ni2\n1.0\n3.937590 0.000000 0.649417\n1.936007 4.906128 0.523508\n0.005558 -0.004539 12.228347\nSc Si Ni\n6 6 2\ndirect\n0.600330 0.720306 0.079034 Sc\n0.473902 0.673126 0.379072 Sc\n0.742278 0.741883 0.773563 Sc\n0.526099 0.326874 0.620928 Sc\n0.399670 0.279694 0.920967 Sc\n0.257723 0.258117 0.226437 Sc\n0.962832 0.838114 0.236224 Si\n0.866543 0.721027 0.545888 Si\n0.133458 0.278974 0.454113 Si\n0.119436 0.836813 0.924317 Si\n0.037169 0.161886 0.763777 Si\n0.880564 0.163187 0.075683 Si\n0.243707 0.915171 0.597419 Ni\n0.756294 0.084829 0.402582 Ni\n",
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{
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"created_at": "2022-09-04T14:38:51.364368Z",
"updated_at": "2022-09-04T14:38:51.364388Z",
"structure_string": "Ge2 P2\n1.0\n6.057375 -1.215398 0.719804\n4.060785 -4.706672 0.397448\n0.458431 0.082612 -3.678688\nGe P\n2 2\ndirect\n0.961334 -0.032883 -0.128297 Ge\n0.607533 0.610865 0.871359 Ge\n0.587285 0.173557 0.372237 P\n0.400849 0.984219 0.371595 P\n",
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}
]
}