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"results": [
{
"id": "jvasp-90782",
"created_at": "2022-09-04T14:36:00.965528Z",
"updated_at": "2022-09-04T14:36:00.965551Z",
"structure_string": "Sr2 Mg6\n1.0\n7.187371 0.000000 0.000000\n-3.593686 6.224446 0.000000\n0.000000 -0.000000 5.339219\nSr Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.301557 0.150778 0.250000 Mg\n0.849222 0.150778 0.250000 Mg\n0.849221 0.698443 0.250000 Mg\n0.698442 0.849222 0.750000 Mg\n0.150778 0.301558 0.750000 Mg\n0.150778 0.849222 0.750000 Mg\n",
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{
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"structure_string": "Pr6 Ag2\n1.0\n7.139254 -0.000000 0.000000\n-3.569627 6.182775 0.000000\n-0.000000 -0.000000 5.410257\nPr Ag\n6 2\ndirect\n0.175479 0.350959 0.250000 Pr\n0.649040 0.824522 0.250000 Pr\n0.175479 0.824522 0.250000 Pr\n0.824520 0.649041 0.750000 Pr\n0.350959 0.175479 0.750000 Pr\n0.824520 0.175479 0.750000 Pr\n0.333333 0.666667 0.750000 Ag\n0.666666 0.333334 0.250000 Ag\n",
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{
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"updated_at": "2022-09-04T14:35:58.678645Z",
"structure_string": "Ba4 Pb1 W1\n1.0\n-0.000000 4.924169 4.924169\n4.924169 0.000000 4.924169\n4.924169 4.924169 -0.000000\nBa Pb W\n4 1 1\ndirect\n0.125305 0.624898 0.624898 Ba\n0.624898 0.624898 0.624898 Ba\n0.624898 0.125305 0.624898 Ba\n0.624898 0.624898 0.125305 Ba\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 W\n",
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"volume": 238.79698810867984,
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"formula_full": "Ba4 Pb1 W1",
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},
{
"id": "jvasp-43521",
"created_at": "2022-09-04T14:37:20.078737Z",
"updated_at": "2022-09-04T14:37:20.078754Z",
"structure_string": "Lu4 Sc4 O12\n1.0\n0.000000 5.339623 0.001647\n5.657658 0.000000 0.000000\n0.000000 -5.336168 -7.905453\nLu Sc O\n4 4 12\ndirect\n0.727151 0.935105 0.749921 Lu\n0.272846 0.435105 0.750078 Lu\n0.727152 0.564896 0.249921 Lu\n0.272847 0.064896 0.250078 Lu\n0.499999 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.613395 0.808853 0.426046 O\n0.386604 0.308853 0.073953 O\n0.738438 0.308788 0.425863 O\n0.108391 0.065868 0.749993 O\n0.891607 0.934132 0.250007 O\n0.738438 0.191212 0.925862 O\n0.613394 0.691147 0.926046 O\n0.386604 0.191147 0.573953 O\n0.261561 0.808788 0.074137 O\n0.108392 0.434132 0.249993 O\n0.261560 0.691213 0.574137 O\n0.891607 0.565868 0.750006 O\n",
"nsites": 20,
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"elements": [
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"density": 7.453022101318286,
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"volume": 238.7721207289706,
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"formula_full": "Lu4 Sc4 O12",
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"spacegroup": 62
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{
"id": "jvasp-52418",
"created_at": "2022-09-04T14:37:43.512857Z",
"updated_at": "2022-09-04T14:37:43.512882Z",
"structure_string": "Fe3 P1 H6 Pb1 S1 O14\n1.0\n3.511207 2.027196 5.590373\n-3.511207 2.027196 5.590373\n0.000000 -4.054392 5.590373\nFe P H Pb S O\n3 1 6 1 1 14\ndirect\n0.004441 0.004441 0.501025 Fe\n0.004441 0.501025 0.004441 Fe\n0.501025 0.004441 0.004441 Fe\n0.310787 0.310787 0.310786 P\n0.317457 0.706262 0.317456 H\n0.706262 0.317457 0.317456 H\n0.317458 0.317458 0.706261 H\n0.689762 0.689762 0.294435 H\n0.294436 0.689763 0.689761 H\n0.689763 0.294436 0.689761 H\n0.998659 0.998659 0.998657 Pb\n0.695198 0.695198 0.695196 S\n0.159027 0.521648 0.159027 O\n0.881903 0.265873 0.265873 O\n0.739372 0.121573 0.739370 O\n0.739372 0.739372 0.121572 O\n0.121573 0.739372 0.739370 O\n0.159027 0.159027 0.521647 O\n0.607479 0.607479 0.607477 O\n0.839640 0.491858 0.839638 O\n0.839640 0.839640 0.491857 O\n0.491858 0.839640 0.839638 O\n0.402329 0.402329 0.402328 O\n0.265874 0.265874 0.881902 O\n0.521648 0.159027 0.159027 O\n0.265873 0.881903 0.265873 O\n",
"nsites": 26,
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"H",
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],
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"density_atomic": 0.10890031539343877,
"volume": 238.750456378995,
"volume_molar": 5.5299571339559535,
"formula_full": "Fe3 P1 H6 Pb1 S1 O14",
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{
"id": "jvasp-3960",
"created_at": "2022-09-04T14:36:36.016430Z",
"updated_at": "2022-09-04T14:36:36.016454Z",
"structure_string": "Rb2 Pd1 Cl6\n1.0\n6.030102 -0.000000 3.481481\n2.010034 5.685235 3.481481\n0.000000 0.000000 6.962963\nRb Pd Cl\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pd\n0.238564 0.761436 0.761435 Cl\n0.238564 0.761436 0.238564 Cl\n0.761435 0.238565 0.761435 Cl\n0.761435 0.238565 0.238564 Cl\n0.761434 0.761436 0.238564 Cl\n0.238564 0.238565 0.761435 Cl\n",
"nsites": 9,
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"elements": [
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"density_atomic": 0.037702950913378025,
"volume": 238.70810591662618,
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"formula_full": "Rb2 Pd1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-19388",
"created_at": "2022-09-04T14:38:35.021122Z",
"updated_at": "2022-09-04T14:38:35.021156Z",
"structure_string": "Ca4 Fe2 Sb2 O12\n1.0\n0.000000 5.474400 0.005246\n7.722236 0.000000 0.000000\n0.000000 -0.023183 -5.646269\nCa Fe Sb O\n4 2 2 12\ndirect\n0.481380 0.750000 0.431965 Ca\n0.518621 0.250000 0.568034 Ca\n0.005427 0.750000 0.955275 Ca\n-0.005427 0.250000 0.044725 Ca\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.295384 0.548899 0.697673 O\n0.578838 0.750000 0.023420 O\n0.704617 0.048898 0.302326 O\n0.107045 0.250000 0.464078 O\n0.192421 0.949367 0.208373 O\n0.807579 0.050633 0.791626 O\n0.192421 0.550634 0.208373 O\n0.295384 0.951102 0.697673 O\n0.892956 0.750000 0.535922 O\n0.704617 0.451102 0.302326 O\n0.807579 0.449367 0.791626 O\n0.421162 0.250000 0.976579 O\n",
"nsites": 20,
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"volume": 238.69287375664555,
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"formula_full": "Ca4 Fe2 Sb2 O12",
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},
{
"id": "jvasp-95402",
"created_at": "2022-09-04T14:35:52.516356Z",
"updated_at": "2022-09-04T14:35:52.516384Z",
"structure_string": "U2 Cr10 P6\n1.0\n3.751112 0.000000 0.000000\n0.000000 6.686621 -1.086188\n0.000000 0.164190 9.488717\nU Cr P\n2 10 6\ndirect\n0.250000 0.819916 0.216125 U\n0.750000 0.180083 0.783875 U\n0.750000 0.395308 0.513359 Cr\n0.250000 0.604692 0.486641 Cr\n0.750000 0.084494 0.101729 Cr\n0.750000 0.458825 0.068709 Cr\n0.250000 0.915506 0.898271 Cr\n0.750000 0.836115 0.490974 Cr\n0.250000 0.163885 0.509026 Cr\n0.750000 0.677426 0.719840 Cr\n0.250000 0.322573 0.280160 Cr\n0.250000 0.541175 0.931291 Cr\n0.250000 0.900207 0.651556 P\n0.250000 0.444396 0.688454 P\n0.750000 0.555604 0.311546 P\n0.250000 0.235969 0.022164 P\n0.750000 0.764030 0.977836 P\n0.750000 0.099792 0.348444 P\n",
"nsites": 18,
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"volume": 238.66748524582977,
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"formula_full": "U2 Cr10 P6",
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{
"id": "jvasp-44361",
"created_at": "2022-09-04T14:38:11.999565Z",
"updated_at": "2022-09-04T14:38:11.999588Z",
"structure_string": "Li1 V4 Cu1 O12\n1.0\n6.623911 -0.061101 -0.084558\n-0.766136 6.579740 0.084558\n-1.456978 1.309268 5.515293\nLi V Cu O\n1 4 1 12\ndirect\n0.087181 0.087181 0.750000 Li\n0.196164 0.616481 0.749968 V\n0.388763 0.792291 0.263573 V\n0.616480 0.196165 0.750031 V\n0.792290 0.388764 0.236427 V\n0.918579 0.918580 0.250000 Cu\n0.813203 0.027352 0.888354 O\n0.627016 0.333418 0.443187 O\n0.629470 0.916891 0.280640 O\n0.643851 0.375556 0.940683 O\n0.333418 0.627017 0.056813 O\n0.205367 0.973211 0.177037 O\n0.375555 0.643852 0.559316 O\n0.916890 0.629471 0.219360 O\n0.069336 0.385865 0.752067 O\n0.027351 0.813204 0.611645 O\n0.385865 0.069337 0.747932 O\n0.973211 0.205368 0.322962 O\n",
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"spacegroup": 5
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{
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"created_at": "2022-09-04T14:38:03.810526Z",
"updated_at": "2022-09-04T14:38:03.810550Z",
"structure_string": "Ca2 C4 S4 N4\n1.0\n5.802483 0.029833 0.076542\n2.249011 5.348986 0.076542\n0.006243 0.004171 7.705466\nCa C S N\n2 4 4 4\ndirect\n0.413714 0.586285 0.750000 Ca\n0.586285 0.413715 0.250000 Ca\n0.747539 0.017607 0.899365 C\n0.017607 0.747540 0.399364 C\n0.252460 0.982393 0.100635 C\n0.982392 0.252460 0.600635 C\n0.860228 0.734331 0.826936 S\n0.265669 0.139771 0.673064 S\n0.139770 0.265669 0.173064 S\n0.734330 0.860230 0.326936 S\n0.659222 0.226972 0.950639 N\n0.226972 0.659223 0.450638 N\n0.773027 0.340777 0.549362 N\n0.340777 0.773028 0.049361 N\n",
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"formula_full": "Ca2 C4 S4 N4",
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{
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"created_at": "2022-09-04T14:37:52.176007Z",
"updated_at": "2022-09-04T14:37:52.176030Z",
"structure_string": "Ba4 Si1 Bi1\n1.0\n0.000000 4.922790 4.922790\n4.922790 0.000000 4.922790\n4.922790 4.922790 0.000000\nBa Si Bi\n4 1 1\ndirect\n0.125149 0.624950 0.624950 Ba\n0.624950 0.624950 0.624950 Ba\n0.624950 0.125149 0.624950 Ba\n0.624950 0.624950 0.125149 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Bi\n",
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],
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"formula_full": "Ba4 Si1 Bi1",
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},
{
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"created_at": "2022-09-04T14:38:10.597748Z",
"updated_at": "2022-09-04T14:38:10.597775Z",
"structure_string": "Ca1 In2 Te4\n1.0\n6.545339 0.063516 -1.828716\n-3.755821 5.360905 -1.828716\n-0.032664 -0.063516 6.795924\nCa In Te\n1 2 4\ndirect\n0.750001 0.750001 -0.000000 Ca\n0.250001 0.750000 0.499999 In\n0.750001 0.250000 0.499999 In\n0.308083 0.808083 0.116165 Te\n0.191918 0.308082 0.499999 Te\n0.808083 0.691918 0.499999 Te\n0.691918 0.191918 0.883833 Te\n",
"nsites": 7,
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],
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"volume": 238.57003546152038,
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]
}