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{
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"results": [
{
"id": "mp-1233698",
"created_at": "2022-09-04T14:39:45.710378Z",
"structure_string": "Tb4 Mg1 P4 O16\n1.0\n-0.446854 0.303654 6.344829\n8.012613 -0.018496 -2.061803\n0.073487 6.625421 0.331615\nTb Mg P O\n4 1 4 16\ndirect\n0.377033 0.134153 0.724095 Tb\n0.971199 0.745942 0.944397 Tb\n0.588897 0.891748 0.292072 Tb\n0.008007 0.285375 0.017376 Tb\n0.277500 0.495828 0.455763 Mg\n0.934295 0.212318 0.582701 P\n0.426386 0.711707 0.820538 P\n0.084280 0.790626 0.417503 P\n0.563840 0.321855 0.171330 P\n0.003802 0.323775 0.374320 O\n0.605994 0.729646 0.967602 O\n0.974017 0.694469 0.613085 O\n0.386620 0.309071 0.020686 O\n0.047144 0.033375 0.920117 O\n0.495127 0.688402 0.594542 O\n0.911350 0.813863 0.281207 O\n0.469480 0.344310 0.390295 O\n0.756328 0.040026 0.529814 O\n0.210680 0.561208 0.883182 O\n0.267144 0.963482 0.452054 O\n0.780042 0.466296 0.101599 O\n0.781920 0.282675 0.741642 O\n0.357505 0.875928 0.851564 O\n0.227175 0.691465 0.291024 O\n0.629655 0.152458 0.154084 O\n",
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{
"id": "mp-727407",
"created_at": "2022-09-04T14:39:18.581286Z",
"structure_string": "Co4 P12 H64 N16 O44\n1.0\n14.280056 0.000000 0.000000\n0.000000 7.392247 0.000000\n0.000000 6.543890 12.526394\nCo P H N O\n4 12 64 16 44\ndirect\n0.103773 0.533027 0.712166 Co\n0.396227 0.533027 0.212166 Co\n0.896227 0.466973 0.287834 Co\n0.603773 0.466973 0.787834 Co\n0.175364 0.650044 0.460147 P\n0.324636 0.650044 0.960147 P\n0.824636 0.349956 0.539853 P\n0.675364 0.349956 0.039853 P\n0.341360 0.815611 0.525808 P\n0.158640 0.815611 0.025808 P\n0.658640 0.184389 0.474192 P\n0.841360 0.184389 0.974192 P\n0.209157 0.979062 0.628108 P\n0.290843 0.979062 0.128108 P\n0.790843 0.020938 0.371892 P\n0.709157 0.020938 0.871892 P\n0.137540 0.485511 0.903915 H\n0.362460 0.485511 0.403915 H\n0.862460 0.514489 0.096085 H\n0.637540 0.514489 0.596085 H\n0.023006 0.510243 0.885490 H\n0.476994 0.510243 0.385490 H\n0.976994 0.489757 0.114510 H\n0.523006 0.489757 0.614510 H\n0.073554 0.287350 0.916618 H\n0.426446 0.287350 0.416618 H\n0.926446 0.712650 0.083382 H\n0.573554 0.712650 0.583382 H\n0.228285 0.288346 0.831860 H\n0.271715 0.288346 0.331860 H\n0.771715 0.711654 0.168140 H\n0.728285 0.711654 0.668140 H\n0.233814 0.285107 0.715825 H\n0.266186 0.285107 0.215825 H\n0.766186 0.714893 0.284175 H\n0.733814 0.714893 0.784175 H\n0.275946 0.485776 0.727069 H\n0.224054 0.485776 0.227069 H\n0.724054 0.514224 0.272931 H\n0.775946 0.514224 0.772931 H\n0.024763 0.275408 0.660612 H\n0.475237 0.275408 0.160612 H\n0.975237 0.724592 0.339388 H\n0.524763 0.724592 0.839388 H\n0.061436 0.148895 0.786648 H\n0.438564 0.148895 0.286648 H\n0.938564 0.851105 0.213352 H\n0.561436 0.851105 0.713352 H\n0.964537 0.283710 0.760712 H\n0.535463 0.283710 0.260712 H\n0.035463 0.716290 0.239288 H\n0.464537 0.716290 0.739288 H\n0.933119 0.619876 0.661480 H\n0.566881 0.619876 0.161480 H\n0.066881 0.380124 0.338520 H\n0.433119 0.380124 0.838520 H\n0.970715 0.740731 0.730566 H\n0.529285 0.740731 0.230566 H\n0.029285 0.259269 0.269434 H\n0.470715 0.259269 0.769434 H\n0.000271 0.824377 0.602370 H\n0.499729 0.824377 0.102370 H\n0.999729 0.175623 0.397630 H\n0.500271 0.175623 0.897630 H\n0.000882 0.168068 0.108927 H\n0.499118 0.168068 0.608927 H\n0.999118 0.831932 0.891073 H\n0.500882 0.831932 0.391073 H\n0.107298 0.175685 0.140939 H\n0.392702 0.175685 0.640939 H\n0.892702 0.824315 0.859061 H\n0.607298 0.824315 0.359061 H\n0.182897 0.922898 0.295008 H\n0.317103 0.922898 0.795008 H\n0.817103 0.077102 0.704992 H\n0.682897 0.077102 0.204992 H\n0.142429 0.269587 0.514951 H\n0.357571 0.269587 0.014951 H\n0.857571 0.730413 0.485049 H\n0.642429 0.730413 0.985049 H\n0.081678 0.442154 0.873857 N\n0.418322 0.442154 0.373857 N\n0.918322 0.557846 0.126143 N\n0.581678 0.557846 0.626143 N\n0.222741 0.378488 0.751106 N\n0.277259 0.378488 0.251106 N\n0.777259 0.621512 0.248894 N\n0.722741 0.621512 0.748894 N\n0.030218 0.280906 0.731238 N\n0.469782 0.280906 0.231238 N\n0.969782 0.719094 0.268762 N\n0.530218 0.719094 0.768762 N\n0.988133 0.696677 0.673065 N\n0.511867 0.696677 0.173065 N\n0.011867 0.303323 0.326935 N\n0.488133 0.303323 0.826935 N\n0.114885 0.622859 0.553971 O\n0.385115 0.622859 0.053971 O\n0.885115 0.377141 0.446029 O\n0.614885 0.377141 0.946029 O\n0.147151 0.862820 0.365173 O\n0.352849 0.862820 0.865173 O\n0.852849 0.137180 0.634827 O\n0.647151 0.137180 0.134827 O\n0.171377 0.478040 0.430147 O\n0.328623 0.478040 0.930147 O\n0.828623 0.521960 0.569853 O\n0.671377 0.521960 0.069853 O\n0.284290 0.669580 0.486810 O\n0.215710 0.669580 0.986810 O\n0.715710 0.330420 0.513190 O\n0.784290 0.330420 0.013190 O\n0.407003 0.944309 0.436670 O\n0.092997 0.944309 0.936670 O\n0.592997 0.055691 0.563330 O\n0.907003 0.055691 0.063330 O\n0.375537 0.684041 0.636904 O\n0.124463 0.684041 0.136904 O\n0.624463 0.315959 0.363096 O\n0.875537 0.315959 0.863096 O\n0.260285 0.971332 0.527036 O\n0.239715 0.971332 0.027036 O\n0.739715 0.028668 0.472964 O\n0.760285 0.028668 0.972964 O\n0.123296 0.122291 0.571179 O\n0.376704 0.122291 0.071179 O\n0.876704 0.877709 0.428821 O\n0.623296 0.877709 0.928821 O\n0.275240 0.073270 0.677484 O\n0.224760 0.073270 0.177484 O\n0.724760 0.926730 0.322516 O\n0.775240 0.926730 0.822516 O\n0.173938 0.770120 0.707003 O\n0.326062 0.770120 0.207003 O\n0.826062 0.229880 0.292997 O\n0.673938 0.229880 0.792997 O\n0.044778 0.236227 0.136338 O\n0.455222 0.236227 0.636338 O\n0.955222 0.763773 0.863662 O\n0.544778 0.763773 0.363662 O\n",
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"elements": [
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],
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"density": 2.009270928933349,
"density_atomic": 0.10587552764849088,
"volume": 1322.3074596124152,
"volume_molar": 5.687944035559985,
"formula_full": "Co4 P12 H64 N16 O44",
"formula_reduced": "CoP3H16N4O11",
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"energy": -852.5417096699999,
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"spacegroup": 14
},
{
"id": "mp-1233619",
"created_at": "2022-09-04T14:39:31.285285Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.485610 0.379626 -0.875580\n-1.177751 7.130441 -2.811579\n0.532385 -0.169126 10.086412\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.223838 0.859982 0.074512 Sr\n0.788711 0.193582 0.967021 Sr\n0.226497 0.696640 0.737336 Mg\n0.001229 0.300446 0.596328 Zn\n0.910721 0.630587 0.335843 Zn\n0.540225 0.828619 0.494197 Sn\n0.408290 0.204262 0.495675 Sn\n0.360098 0.397492 0.236678 P\n0.690291 0.616405 0.769057 P\n0.783372 0.957407 0.255828 P\n0.212073 0.048778 0.749412 P\n0.952996 0.639343 0.843423 O\n0.629821 0.437781 0.217532 O\n0.629704 0.774770 0.716184 O\n0.989341 0.157942 0.733363 O\n0.484114 0.608075 0.857383 O\n0.197789 0.854567 0.610258 O\n0.803663 0.135223 0.399527 O\n0.187177 0.977001 0.872901 O\n0.345544 0.226301 0.282961 O\n0.805885 0.004182 0.122151 O\n0.186599 0.359358 0.100117 O\n0.272096 0.573865 0.363325 O\n0.686761 0.425291 0.629105 O\n0.543616 0.843510 0.241722 O\n0.995576 0.830427 0.265323 O\n0.453497 0.158907 0.770338 O\n",
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{
"id": "mp-1221172",
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"structure_string": "Na4 Ta1 Al3 P6 O24\n1.0\n8.579214 0.000000 0.000000\n4.282344 7.435810 0.000000\n4.273829 2.472994 7.200439\nNa Ta Al P O\n4 1 3 6 24\ndirect\n0.387563 0.745973 0.754215 Na\n0.751165 0.110663 0.752486 Na\n0.490030 0.501034 0.491657 Na\n0.005632 0.017895 0.989757 Na\n0.861296 0.857686 0.422409 Ta\n0.643823 0.641649 0.071018 Al\n0.148484 0.153180 0.555929 Al\n0.348868 0.352649 0.939875 Al\n0.038855 0.742879 0.760656 P\n0.753482 0.452879 0.759464 P\n0.452747 0.040094 0.758310 P\n0.264703 0.527632 0.242254 P\n0.525898 0.963644 0.246721 P\n0.962214 0.263442 0.250360 P\n0.717410 0.491918 0.927207 O\n0.489269 0.862426 0.924366 O\n0.859563 0.721637 0.924818 O\n0.987286 0.211518 0.434689 O\n0.217133 0.364961 0.416876 O\n0.364988 0.992959 0.427258 O\n0.295278 0.510719 0.062135 O\n0.504858 0.133066 0.069888 O\n0.133988 0.289898 0.079887 O\n0.006337 0.782884 0.580641 O\n0.782669 0.631260 0.582160 O\n0.631701 0.006833 0.581456 O\n0.777376 0.430530 0.237852 O\n0.430463 0.557133 0.233409 O\n0.554538 0.778798 0.235300 O\n0.926586 0.271920 0.735953 O\n0.276293 0.062436 0.732864 O\n0.064947 0.920068 0.740330 O\n0.225600 0.574198 0.767098 O\n0.580574 0.432674 0.763375 O\n0.436787 0.222476 0.766812 O\n0.084538 0.717341 0.257894 O\n0.716015 0.939269 0.260711 O\n0.938541 0.084279 0.261910 O\n",
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{
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"structure_string": "Cd2 In2 Ga2 S8\n1.0\n1.956869 -3.389396 0.000000\n1.956869 3.389396 0.000000\n0.000000 0.000000 25.361872\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 0.000000 0.246083 Cd\n0.000000 0.000000 0.753917 Cd\n0.666667 0.333333 0.397494 In\n0.333333 0.666667 0.602506 In\n0.666667 0.333333 0.897703 Ga\n0.333333 0.666667 0.102297 Ga\n0.666667 0.333333 0.557469 S\n0.333333 0.666667 0.697082 S\n0.666667 0.333333 0.065584 S\n0.333333 0.666667 0.442531 S\n0.666667 0.333333 0.810380 S\n0.666667 0.333333 0.302918 S\n0.333333 0.666667 0.189620 S\n0.333333 0.666667 0.934416 S\n",
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"volume": 336.4305053774398,
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"formula_full": "Cd2 In2 Ga2 S8",
"formula_reduced": "CdInGaS4",
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{
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"structure_string": "H12 O4 F4\n1.0\n4.182654 0.000000 0.000000\n0.000000 6.283161 0.000000\n0.000000 0.000000 6.433745\nH O F\n12 4 4\ndirect\n0.750000 0.545075 0.204141 H\n0.250000 0.454925 0.795859 H\n0.750000 0.954925 0.704141 H\n0.250000 0.045075 0.295859 H\n0.454759 0.239708 0.882001 H\n0.954759 0.760292 0.117999 H\n0.045241 0.260292 0.382001 H\n0.545241 0.739708 0.617999 H\n0.454759 0.260292 0.382001 H\n0.954759 0.739708 0.617999 H\n0.045241 0.239708 0.882001 H\n0.545241 0.760292 0.117999 H\n0.250000 0.169411 0.402498 O\n0.750000 0.830589 0.597502 O\n0.250000 0.330589 0.902498 O\n0.750000 0.669411 0.097502 O\n0.750000 0.374046 0.351652 F\n0.250000 0.625954 0.648348 F\n0.750000 0.125954 0.851652 F\n0.250000 0.874046 0.148348 F\n",
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"formula_full": "H12 O4 F4",
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{
"id": "mp-1112353",
"created_at": "2022-09-04T14:39:06.974235Z",
"structure_string": "Cs3 Sb1 Cl6\n1.0\n0.000000 5.938787 5.938787\n5.938787 0.000000 5.938787\n5.938787 5.938787 0.000000\nCs Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sb\n0.775409 0.224591 0.224591 Cl\n0.224591 0.224591 0.775409 Cl\n0.224591 0.775409 0.775409 Cl\n0.224591 0.775409 0.224591 Cl\n0.775409 0.224591 0.775409 Cl\n0.775409 0.775409 0.224591 Cl\n",
"nsites": 10,
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],
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"formula_full": "Cs3 Sb1 Cl6",
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{
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{
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}