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{
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"results": [
{
"id": "jvasp-85369",
"created_at": "2022-09-04T14:37:40.311112Z",
"updated_at": "2022-09-04T14:37:40.311137Z",
"structure_string": "Zn2 Co2 P2 H2 O10\n1.0\n5.164717 0.013338 -0.915075\n-0.329739 5.471305 -0.460465\n0.014869 0.013198 7.460947\nZn Co P H O\n2 2 2 2 10\ndirect\n0.628059 0.207111 0.632416 Zn\n0.371942 0.792890 0.367586 Zn\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.554294 0.297416 0.218901 P\n0.445706 0.702586 0.781101 P\n0.113293 0.261601 0.724650 H\n0.886707 0.738401 0.275352 H\n0.731992 0.250823 0.077176 O\n0.596803 0.103990 0.363249 O\n0.037615 0.774365 0.215917 O\n0.735626 0.725810 0.871869 O\n0.378760 0.446100 0.677146 O\n0.962386 0.225637 0.784085 O\n0.621240 0.553901 0.322856 O\n0.403197 0.896012 0.636753 O\n0.264375 0.274192 0.128133 O\n0.268009 0.749179 0.922826 O\n",
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{
"id": "jvasp-31808",
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"updated_at": "2022-09-04T14:37:40.753449Z",
"structure_string": "Cr1 H8 C4 S4 N6\n1.0\n3.859152 -0.032766 -0.680969\n-1.828130 7.203188 -0.285855\n0.018655 0.044917 10.173885\nCr H C S N\n1 8 4 4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.352813 0.495798 0.696929 H\n0.647185 0.504202 0.303071 H\n0.411694 0.533050 0.870717 H\n0.324827 0.915446 0.286356 H\n0.481345 0.226563 0.604137 H\n0.518653 0.773437 0.395862 H\n0.675171 0.084554 0.713644 H\n0.588305 0.466951 0.129283 H\n0.959159 0.824128 0.709590 C\n0.040839 0.175872 0.290410 C\n0.440979 0.696694 0.194162 C\n0.559019 0.303307 0.805838 C\n-0.000775 0.281461 0.425379 S\n0.316497 0.753322 0.032632 S\n0.683501 0.246679 0.967367 S\n0.000774 0.718540 0.574621 S\n0.414938 0.798431 0.300620 N\n0.569636 0.546938 0.210581 N\n0.430362 0.453062 0.789418 N\n0.930488 0.902567 0.809580 N\n0.069510 0.097433 0.190420 N\n0.585060 0.201570 0.699380 N\n",
"nsites": 23,
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"density_atomic": 0.08144378141687132,
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"formula_full": "Cr1 H8 C4 S4 N6",
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{
"id": "jvasp-20231",
"created_at": "2022-09-04T14:37:40.755656Z",
"updated_at": "2022-09-04T14:37:40.755678Z",
"structure_string": "Ca2 As6\n1.0\n5.854194 -0.007990 -0.007652\n1.470964 5.716294 0.001433\n1.967110 0.549188 5.601537\nCa As\n2 6\ndirect\n0.661102 0.683802 0.631795 Ca\n0.338897 0.316197 0.368205 Ca\n0.777544 0.013439 0.017724 As\n0.222455 0.986561 0.982276 As\n0.190867 0.853298 0.410398 As\n0.809131 0.146701 0.589602 As\n0.777666 0.587475 0.100427 As\n0.222333 0.412524 0.899574 As\n",
"nsites": 8,
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],
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"density_atomic": 0.04264561716056309,
"volume": 187.59254837090435,
"volume_molar": 14.121359147708684,
"formula_full": "Ca2 As6",
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"spacegroup": 2
},
{
"id": "jvasp-5335",
"created_at": "2022-09-04T14:37:40.954296Z",
"updated_at": "2022-09-04T14:37:40.954315Z",
"structure_string": "Nb2 Se4 Cl4\n1.0\n6.390026 0.004031 -0.017136\n3.193243 5.771001 -0.083699\n2.701606 1.878949 6.519646\nNb Se Cl\n2 4 4\ndirect\n0.871440 0.258677 0.000107 Nb\n0.128560 0.741323 -0.000108 Nb\n0.913549 0.894898 0.335948 Se\n0.086451 0.105102 0.664052 Se\n0.730799 0.046557 0.853073 Se\n0.269202 0.953443 0.146926 Se\n0.839367 0.513656 0.218271 Cl\n0.160634 0.486344 0.781728 Cl\n0.422762 0.353019 0.219448 Cl\n0.577239 0.646981 0.780552 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.42426929983008,
"density_atomic": 0.0414064205985901,
"volume": 241.50843891926516,
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"formula_full": "Nb2 Se4 Cl4",
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{
"id": "jvasp-26635",
"created_at": "2022-09-04T14:37:41.892089Z",
"updated_at": "2022-09-04T14:37:41.892105Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.415251 -0.009793 -0.056299\n-1.799316 7.415549 -0.012300\n-1.485996 -3.543253 8.092635\nRb Sb Br F\n2 2 2 6\ndirect\n0.983132 0.305839 0.648997 Rb\n0.016866 0.694162 0.351003 Rb\n0.305997 0.159447 0.207918 Sb\n0.694002 0.840554 0.792083 Sb\n0.429995 0.761360 0.064769 Br\n0.570003 0.238641 0.935232 Br\n0.597600 0.549680 0.677720 F\n0.695665 0.885740 0.583031 F\n0.304333 0.114261 0.416970 F\n0.402398 0.450321 0.322280 F\n0.211087 0.762997 0.698131 F\n0.788912 0.237004 0.301869 F\n",
"nsites": 12,
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"elements": [
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"Br",
"F"
],
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"density": 4.334800700713292,
"density_atomic": 0.04551478832005636,
"volume": 263.65057254835415,
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"formula_full": "Rb2 Sb2 Br2 F6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-57075",
"created_at": "2022-09-04T14:37:41.860507Z",
"updated_at": "2022-09-04T14:37:41.860528Z",
"structure_string": "Cd2 Hg4 S2 O12\n1.0\n6.863074 0.022566 0.051200\n3.292233 6.529179 -0.033359\n3.017050 0.928499 6.737465\nCd Hg S O\n2 4 2 12\ndirect\n0.671192 0.871237 0.775086 Cd\n0.328807 0.128764 0.224913 Cd\n0.162903 0.361718 0.779781 Hg\n0.334576 0.635228 0.220405 Hg\n0.665422 0.364774 0.779594 Hg\n0.837096 0.638283 0.220218 Hg\n0.207964 0.864834 0.699038 S\n0.792035 0.135167 0.300961 S\n0.682946 0.308442 0.418544 O\n0.142642 0.467192 0.273320 O\n0.199848 0.064395 0.566719 O\n0.857357 0.532809 0.726679 O\n0.800151 0.935606 0.433280 O\n0.967841 0.886023 0.830869 O\n0.341391 0.825891 0.830820 O\n0.545562 0.798483 0.136531 O\n0.317053 0.691559 0.581456 O\n0.032158 0.113978 0.169130 O\n0.454437 0.201518 0.863468 O\n0.658608 0.174110 0.169179 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.085189498346855,
"density_atomic": 0.06649707611950599,
"volume": 300.7651037777476,
"volume_molar": 9.056248953228021,
"formula_full": "Cd2 Hg4 S2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 2
},
{
"id": "jvasp-52417",
"created_at": "2022-09-04T14:37:42.822341Z",
"updated_at": "2022-09-04T14:37:42.822365Z",
"structure_string": "Ca2 H8 Se4 O14\n1.0\n6.723858 0.011484 -0.005573\n0.204415 6.953887 0.012474\n0.120087 2.325319 7.009852\nCa H Se O\n2 8 4 14\ndirect\n0.120561 0.771992 0.925098 Ca\n0.879441 0.228008 0.074901 Ca\n0.531278 0.761855 0.725691 H\n0.468724 0.238146 0.274309 H\n0.010890 0.539381 0.658865 H\n0.989111 0.460619 0.341135 H\n0.706490 0.790844 0.478039 H\n0.293511 0.209156 0.521961 H\n0.668628 0.567405 0.611310 H\n0.331373 0.432595 0.388690 H\n0.141104 0.819884 0.401396 Se\n0.858898 0.180116 0.598604 Se\n0.649571 0.748435 0.035710 Se\n0.350430 0.251565 0.964289 Se\n0.600866 0.702725 0.556800 O\n0.789700 0.959175 0.954696 O\n0.210302 0.040825 0.045303 O\n0.807634 0.585231 0.975430 O\n0.192367 0.414769 0.024570 O\n0.468794 0.794757 0.845368 O\n0.531207 0.205243 0.154631 O\n0.094451 0.080321 0.648509 O\n0.905550 0.919679 0.351490 O\n0.151173 0.639216 0.286014 O\n0.848829 0.360784 0.713986 O\n0.110219 0.651589 0.645413 O\n0.889782 0.348412 0.354586 O\n0.399136 0.297275 0.443200 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.08548317812419491,
"volume": 327.5498245902835,
"volume_molar": 7.044825534271417,
"formula_full": "Ca2 H8 Se4 O14",
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"spacegroup": 2
},
{
"id": "jvasp-16547",
"created_at": "2022-09-04T14:37:42.885626Z",
"updated_at": "2022-09-04T14:37:42.885649Z",
"structure_string": "K4 Hg4\n1.0\n6.510382 -0.036145 0.038245\n-0.081854 6.896993 0.018958\n-1.395550 -2.228800 6.542343\nK Hg\n4 4\ndirect\n0.313767 0.198910 0.857927 K\n0.686234 0.801089 0.142073 K\n0.756278 0.345871 0.555459 K\n0.243722 0.654128 0.444542 K\n0.143623 0.714088 0.935990 Hg\n0.856377 0.285911 0.064010 Hg\n0.790639 0.892503 0.692074 Hg\n0.209361 0.107496 0.307927 Hg\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.407834075414609,
"density_atomic": 0.027174240895467657,
"volume": 294.3964481206283,
"volume_molar": 22.161210622830758,
"formula_full": "K4 Hg4",
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"spacegroup": 2
},
{
"id": "jvasp-39890",
"created_at": "2022-09-04T14:37:42.939141Z",
"updated_at": "2022-09-04T14:37:42.939160Z",
"structure_string": "P1 H1 Pb2 F10\n1.0\n4.592490 -0.028236 0.018580\n0.653119 4.723911 -0.006934\n2.067019 0.269541 8.589942\nP H Pb F\n1 1 2 10\ndirect\n0.000000 0.500000 0.000000 P\n0.500000 0.499999 0.500000 H\n0.330225 0.029051 0.310250 Pb\n0.669775 0.970947 0.689750 Pb\n0.678804 0.705768 0.037951 F\n0.837192 0.237965 0.097783 F\n0.074618 0.595781 0.160306 F\n0.390784 0.523436 0.394436 F\n0.788894 0.982224 0.414015 F\n0.211106 0.017775 0.585985 F\n0.609217 0.476562 0.605564 F\n0.925382 0.404218 0.839695 F\n0.162809 0.762034 0.902218 F\n0.321196 0.294231 0.962049 F\n",
"nsites": 14,
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],
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"density": 5.670753716247536,
"density_atomic": 0.0751299219842535,
"volume": 186.34386447165835,
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"formula_full": "P1 H1 Pb2 F10",
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{
"id": "jvasp-25646",
"created_at": "2022-09-04T14:37:43.081342Z",
"updated_at": "2022-09-04T14:37:43.081362Z",
"structure_string": "Ca10 As6 O24 F2\n1.0\n-7.013699 -0.044991 -0.046609\n-0.171886 -9.604162 0.017067\n0.313265 4.769583 8.470602\nCa As O F\n10 6 24 2\ndirect\n0.995377 0.358284 0.703925 Ca\n0.004624 0.641716 0.296075 Ca\n0.770278 0.225391 -0.006285 Ca\n0.269558 0.251837 0.248856 Ca\n0.730444 0.748162 0.751144 Ca\n0.498615 0.690419 0.345722 Ca\n0.501387 0.309581 0.654278 Ca\n0.741052 0.008964 0.244071 Ca\n0.258949 0.991036 0.755930 Ca\n0.229723 0.774609 0.006285 Ca\n0.764723 0.387269 0.370449 As\n0.766523 0.974425 0.604612 As\n0.721553 0.627466 0.024497 As\n0.235279 0.612730 0.629551 As\n0.233478 0.025574 0.395388 As\n0.278449 0.372534 0.975503 As\n0.448436 0.098383 0.377470 O\n0.781982 0.308099 0.494448 O\n0.200338 0.124194 0.596271 O\n0.285888 0.483986 0.880086 O\n0.714113 0.516014 0.119914 O\n0.706967 0.587145 0.468868 O\n0.241390 0.822246 0.308024 O\n0.452527 0.228528 0.896288 O\n0.293035 0.412855 0.531132 O\n0.547474 0.771472 0.103712 O\n0.799664 0.875806 0.403729 O\n0.398214 0.730549 0.775632 O\n0.711699 0.520359 0.822129 O\n0.062751 0.276053 0.915146 O\n0.218019 0.691901 0.505553 O\n0.929655 0.925200 0.709546 O\n0.034790 0.628149 0.733771 O\n0.758612 0.177754 0.691976 O\n0.288302 0.479641 0.177871 O\n0.601788 0.269451 0.224368 O\n0.551566 0.901617 0.622531 O\n0.937250 0.723947 0.084854 O\n0.070346 0.074799 0.290454 O\n0.965212 0.371851 0.266229 O\n0.756682 0.978474 0.992145 F\n0.243319 0.021526 0.007855 F\n",
"nsites": 42,
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],
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"density": 3.700055695435342,
"density_atomic": 0.07355660153182951,
"volume": 570.9888592640553,
"volume_molar": 8.187084006857075,
"formula_full": "Ca10 As6 O24 F2",
"formula_reduced": "Ca5As3O12F",
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"spacegroup": 2
},
{
"id": "jvasp-24245",
"created_at": "2022-09-04T14:37:45.273783Z",
"updated_at": "2022-09-04T14:37:45.273810Z",
"structure_string": "Na1 Zr2 Cu1 F11\n1.0\n5.705389 0.259445 -0.620873\n-1.541571 4.874598 1.775214\n-2.174546 -0.684403 7.508187\nNa Zr Cu F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.496419 0.512856 0.763821 Zr\n0.503581 0.487146 0.236179 Zr\n-0.000000 0.000000 0.500000 Cu\n0.328967 0.793854 0.118760 F\n0.150852 0.265127 0.650823 F\n0.807633 0.787958 0.727127 F\n0.671033 0.206148 0.881240 F\n0.292534 0.376057 -0.032922 F\n0.849148 0.734874 0.349177 F\n0.708085 0.183333 0.350936 F\n0.291915 0.816669 0.649064 F\n0.192367 0.212044 0.272872 F\n0.500000 0.500001 0.500000 F\n0.707466 0.623945 0.032922 F\n",
"nsites": 15,
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],
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"density": 3.7702677175534323,
"density_atomic": 0.07125529805147705,
"volume": 210.51066250769915,
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"formula_full": "Na1 Zr2 Cu1 F11",
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},
{
"id": "jvasp-57359",
"created_at": "2022-09-04T14:37:43.750929Z",
"updated_at": "2022-09-04T14:37:43.750958Z",
"structure_string": "Cu2 Mo2 O8\n1.0\n4.713322 -0.055295 -0.065064\n0.314697 4.894441 -0.036330\n0.968310 0.185270 5.850280\nCu Mo O\n2 2 8\ndirect\n0.493019 0.749611 0.158070 Cu\n0.506982 0.250390 0.841931 Cu\n0.969692 0.254388 0.325571 Mo\n0.030308 0.745613 0.674429 Mo\n0.730644 0.904152 0.879077 O\n0.786979 0.427089 0.620052 O\n0.750817 0.429698 0.144221 O\n0.249183 0.570302 0.855780 O\n0.221241 0.047528 0.591119 O\n0.778759 0.952473 0.408882 O\n0.213021 0.572912 0.379949 O\n0.269356 0.095849 0.120923 O\n",
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],
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"density": 5.481560091517289,
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"volume": 135.40059484842274,
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"formula_full": "Cu2 Mo2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 2
}
]
}