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{
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"results": [
{
"id": "jvasp-116884",
"created_at": "2022-09-04T14:38:44.872913Z",
"updated_at": "2022-09-04T14:38:44.872940Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.006858 -0.000000 0.000000\n0.000000 6.275739 0.000000\n-0.000000 -0.000000 10.641255\nLi Fe Si O\n4 4 4 16\ndirect\n0.153333 0.711041 0.167259 Li\n0.346667 0.711041 0.667260 Li\n0.653333 0.211041 0.332741 Li\n0.846667 0.211041 0.832741 Li\n0.156449 0.960955 0.418862 Fe\n0.343551 0.960955 0.918862 Fe\n0.656449 0.460955 0.081139 Fe\n0.843552 0.460955 0.581139 Fe\n0.848256 0.707793 0.834610 Si\n0.651744 0.707793 0.334610 Si\n0.348256 0.207793 0.665391 Si\n0.151744 0.207793 0.165391 Si\n0.785171 0.925512 0.395015 O\n0.764185 0.492219 0.913773 O\n0.735816 0.492219 0.413773 O\n0.714830 0.925512 0.895015 O\n0.739443 0.684526 0.688917 O\n0.675576 0.232367 0.664201 O\n0.324424 0.732367 0.335799 O\n0.239443 0.184526 0.811084 O\n0.285171 0.425511 0.104986 O\n0.264184 0.992219 0.586227 O\n0.235816 0.992219 0.086227 O\n0.214829 0.425511 0.604986 O\n0.760558 0.684526 0.188917 O\n0.175576 0.732367 0.835799 O\n0.260557 0.184526 0.311083 O\n0.824424 0.232367 0.164201 O\n",
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{
"id": "jvasp-112136",
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"structure_string": "Zn1 H18 C11 O4\n1.0\n4.371457 -0.014054 -0.030291\n-2.071438 4.366397 -0.595797\n-0.113023 -0.312230 14.219866\nZn H C O\n1 18 11 4\ndirect\n0.270029 0.768199 0.838084 Zn\n0.440913 0.922785 0.548663 H\n0.911631 0.458032 0.582178 H\n0.070849 0.702428 0.057027 H\n0.162666 0.028185 0.260183 H\n0.457895 0.897329 0.214511 H\n0.543147 0.249879 0.418340 H\n0.826092 0.106054 0.371349 H\n0.724197 0.781799 0.500985 H\n0.753285 0.792891 0.107870 H\n0.361304 0.207543 0.080883 H\n0.670425 0.152239 0.014712 H\n0.710287 0.474272 0.234080 H\n0.008219 0.357469 0.182431 H\n0.069622 0.712102 0.391068 H\n0.353808 0.568970 0.344527 H\n0.090988 -0.033839 0.648938 H\n0.325121 0.368032 0.690253 H\n0.191008 0.327557 0.524885 H\n0.406398 0.367952 0.950098 C\n0.572050 0.322488 0.037247 C\n0.844109 0.612960 0.096770 C\n0.937008 0.551052 0.193355 C\n0.225885 0.829886 0.252829 C\n0.969542 0.257505 0.567447 C\n0.596443 0.045997 0.410652 C\n0.669644 0.985046 0.509267 C\n0.074828 0.186864 0.661942 C\n0.822695 0.166113 0.735356 C\n0.299567 0.772362 0.351907 C\n0.459492 0.642402 0.942259 O\n0.841959 0.409052 0.788100 O\n0.584358 0.898715 0.737791 O\n0.206462 0.133727 0.890995 O\n",
"nsites": 34,
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"elements": [
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"volume": 270.1592720025909,
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"formula_anonymous": "AB4C11D18",
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{
"id": "jvasp-113049",
"created_at": "2022-09-04T14:38:44.867021Z",
"updated_at": "2022-09-04T14:38:44.867043Z",
"structure_string": "Y4 Mg2 S8\n1.0\n6.513809 0.000040 0.000000\n-5.416674 3.617919 0.000000\n-0.000000 -0.000000 12.824237\nY Mg S\n4 2 8\ndirect\n0.381684 0.618317 0.784785 Y\n0.618317 0.381683 0.284784 Y\n0.138629 0.861372 0.582767 Y\n0.861372 0.138628 0.082767 Y\n0.125343 0.874658 0.946448 Mg\n0.874658 0.125342 0.446448 Mg\n0.790636 0.209365 0.635191 S\n0.209365 0.790635 0.135191 S\n0.487330 0.512671 0.995482 S\n0.512671 0.487329 0.495482 S\n0.760490 0.239511 0.895325 S\n0.239511 0.760489 0.395325 S\n0.037467 0.962534 0.768003 S\n0.962534 0.037466 0.268003 S\n",
"nsites": 14,
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"density": 3.6304387695771796,
"density_atomic": 0.04632321016874755,
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{
"id": "jvasp-115544",
"created_at": "2022-09-04T14:38:44.864784Z",
"updated_at": "2022-09-04T14:38:44.864802Z",
"structure_string": "Ba2 H1 Br1\n1.0\n-0.000000 3.898164 3.898164\n3.898164 -0.000000 3.898164\n3.898164 3.898164 0.000000\nBa H Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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],
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"density_atomic": 0.03376367229651184,
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},
{
"id": "jvasp-116733",
"created_at": "2022-09-04T14:38:44.864628Z",
"updated_at": "2022-09-04T14:38:44.864661Z",
"structure_string": "Ga4 Fe2 N6\n1.0\n5.581426 0.000461 0.000000\n-2.784828 4.829794 0.000000\n0.000000 -0.000000 5.229999\nGa Fe N\n4 2 6\ndirect\n0.333278 0.331603 0.493826 Ga\n0.666722 0.998325 0.493826 Ga\n0.666722 0.668396 0.993826 Ga\n0.333278 0.001674 0.993826 Ga\n-0.000000 0.663795 0.490906 Fe\n-0.000000 0.336204 0.990906 Fe\n0.334803 0.335460 0.870444 N\n0.665197 0.000658 0.870444 N\n0.665197 0.664539 0.370444 N\n0.334803 0.999342 0.370444 N\n-0.000000 0.672246 0.868557 N\n-0.000000 0.327753 0.368557 N\n",
"nsites": 12,
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"elements": [
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],
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"volume": 140.99251807208734,
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"formula_full": "Ga4 Fe2 N6",
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"spacegroup": 36
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{
"id": "jvasp-118459",
"created_at": "2022-09-04T14:38:44.863365Z",
"updated_at": "2022-09-04T14:38:44.863391Z",
"structure_string": "Li2 H1 N1\n1.0\n1.785077 1.030615 2.998664\n-1.785077 1.030615 2.998664\n0.000000 -2.061229 2.998664\nLi H N\n2 1 1\ndirect\n0.282565 0.282565 0.282566 Li\n0.747129 0.747129 0.747133 Li\n0.088827 0.088827 0.088827 H\n0.974472 0.974472 0.974477 N\n",
"nsites": 4,
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],
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"spacegroup": 160
},
{
"id": "jvasp-112207",
"created_at": "2022-09-04T14:38:44.863230Z",
"updated_at": "2022-09-04T14:38:44.863258Z",
"structure_string": "H26 C18\n1.0\n6.331047 0.013689 2.420651\n1.574676 6.499890 3.247704\n0.039510 -0.022210 8.246765\nH C\n26 18\ndirect\n0.504202 0.082493 0.103935 H\n0.861396 0.566682 0.768405 H\n0.138605 0.433319 0.231595 H\n0.726799 0.877074 0.317347 H\n0.273202 0.122926 0.682653 H\n0.252027 0.376952 0.658638 H\n0.943971 0.675106 0.401961 H\n0.056030 0.324895 0.598039 H\n0.093227 0.819940 0.557532 H\n0.906774 0.180060 0.442468 H\n0.328961 0.712876 0.413198 H\n0.671040 0.287124 0.586801 H\n0.288677 0.966412 0.401643 H\n0.747974 0.623048 0.341362 H\n0.977533 0.860374 0.823523 H\n0.711324 0.033589 0.598356 H\n0.495799 0.917507 0.896064 H\n0.661680 0.217238 0.886622 H\n0.373153 0.285197 0.932082 H\n0.626848 0.714804 0.067917 H\n0.338321 0.782762 0.113378 H\n-0.000566 0.624928 0.012785 H\n0.942490 0.165338 0.983356 H\n0.057511 0.834662 0.016644 H\n0.022468 0.139627 0.176477 H\n0.000567 0.375072 0.987215 H\n0.267973 0.811300 0.497705 C\n0.631003 0.679221 0.599635 C\n0.732028 0.188701 0.502295 C\n0.075541 0.755532 0.924351 C\n0.924460 0.244468 0.075649 C\n0.489553 0.765963 0.005202 C\n0.510448 0.234037 0.994798 C\n0.368999 0.320779 0.400364 C\n0.501223 0.388181 0.077650 C\n0.609289 0.271319 0.356023 C\n0.309603 0.694495 0.828864 C\n0.690398 0.305505 0.171135 C\n0.498778 0.611819 0.922349 C\n0.694349 0.610981 0.758174 C\n0.305652 0.389019 0.241826 C\n0.229312 0.285478 0.594280 C\n0.390713 0.728681 0.643976 C\n0.770689 0.714523 0.405719 C\n",
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},
{
"id": "jvasp-112159",
"created_at": "2022-09-04T14:38:44.860252Z",
"updated_at": "2022-09-04T14:38:44.860283Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.798253 0.078633 -0.402720\n1.497914 4.375610 0.705679\n-1.079130 -0.065941 9.724550\nHf H C O\n1 8 6 4\ndirect\n0.303681 0.829036 0.311185 Hf\n0.829182 0.372165 0.920726 H\n0.486980 0.199484 0.903669 H\n0.288726 0.900883 0.858791 H\n0.955131 0.718140 0.833794 H\n0.520950 0.220780 0.670758 H\n0.013815 0.352066 0.625375 H\n0.006862 0.900487 0.601318 H\n0.508110 0.756135 0.654130 H\n0.534766 0.409934 0.928263 C\n0.243207 0.696731 0.824379 C\n0.255265 0.706019 0.668365 C\n0.260690 0.440047 0.454662 C\n0.260449 0.414949 0.611199 C\n0.542871 0.406310 0.083495 C\n0.331098 0.645092 0.118505 O\n0.322865 0.153932 0.416257 O\n0.895990 0.659006 0.362006 O\n0.751365 0.159809 0.172847 O\n",
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"formula_full": "Hf1 H8 C6 O4",
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{
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"created_at": "2022-09-04T14:38:44.852210Z",
"updated_at": "2022-09-04T14:38:44.852234Z",
"structure_string": "Ho4 Mg2 S8\n1.0\n6.789615 -0.000000 3.919986\n2.263205 6.401311 3.919986\n-0.000000 0.000000 7.839973\nHo Mg S\n4 2 8\ndirect\n0.625001 0.125000 0.625000 Ho\n0.625001 0.625000 0.125000 Ho\n0.125001 0.625000 0.625000 Ho\n0.625001 0.625000 0.625000 Ho\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379520 0.379519 0.379519 S\n0.861443 0.379519 0.379519 S\n0.379520 0.861442 0.379519 S\n0.379520 0.379519 0.861442 S\n0.870482 0.870481 0.388558 S\n0.870482 0.388557 0.870481 S\n0.388558 0.870481 0.870481 S\n0.870482 0.870481 0.870481 S\n",
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{
"id": "jvasp-115376",
"created_at": "2022-09-04T14:38:44.848593Z",
"updated_at": "2022-09-04T14:38:44.848614Z",
"structure_string": "Y1 Pb1 S1\n1.0\n5.296962 -0.000000 -0.000000\n-2.648481 4.587303 0.000000\n0.000000 0.000000 3.561041\nY Pb S\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.000000 S\n",
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},
{
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"created_at": "2022-09-04T14:38:44.845442Z",
"updated_at": "2022-09-04T14:38:44.845473Z",
"structure_string": "Rb1 Sb1 Br1\n1.0\n6.275261 -0.000000 -0.000000\n-3.137631 5.434536 0.000000\n0.000000 0.000000 3.136978\nRb Sb Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Rb\n0.666667 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:44.834467Z",
"updated_at": "2022-09-04T14:38:44.834492Z",
"structure_string": "Mn6 Ni8 Sb2\n1.0\n4.068142 0.000000 0.000000\n0.000000 6.323444 0.000000\n-0.000000 -0.000000 8.132694\nMn Ni Sb\n6 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.499991 -0.000000 0.750000 Mn\n0.500008 -0.000000 0.250000 Mn\n0.500011 0.500000 0.750000 Mn\n0.499989 0.500000 0.250000 Mn\n0.500000 0.770502 -0.000000 Ni\n0.500000 0.770502 0.500000 Ni\n0.500000 0.229498 -0.000000 Ni\n0.500000 0.229498 0.500000 Ni\n0.000021 0.770506 0.750000 Ni\n-0.000021 0.770506 0.250000 Ni\n-0.000021 0.229493 0.250000 Ni\n0.000021 0.229493 0.750000 Ni\n-0.000000 0.500000 -0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n",
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}
]
}