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{
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"results": [
{
"id": "mp-2856",
"created_at": "2022-09-04T14:42:39.249891Z",
"structure_string": "Mn4 Al11\n1.0\n5.026305 0.000000 0.000000\n-0.912258 4.963417 0.000000\n-0.012702 -2.356028 8.451363\nMn Al\n4 11\ndirect\n0.285827 0.149717 0.598618 Mn\n0.714173 0.850283 0.401382 Mn\n0.664607 0.610986 0.866796 Mn\n0.335393 0.389014 0.133204 Mn\n0.000000 0.000000 0.000000 Al\n0.948751 0.819413 0.675115 Al\n0.051249 0.180587 0.324885 Al\n0.800897 0.269584 0.632497 Al\n0.844793 0.531145 0.126747 Al\n0.155207 0.468855 0.873253 Al\n0.493457 0.892370 0.125154 Al\n0.506543 0.107630 0.874846 Al\n0.566953 0.328339 0.373932 Al\n0.433047 0.671661 0.626068 Al\n0.199103 0.730416 0.367503 Al\n",
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"density": 4.06821926930921,
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"volume": 210.8416265751568,
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"spacegroup": 2
},
{
"id": "mp-1176921",
"created_at": "2022-09-04T14:42:39.291131Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.786851 0.000000 0.000000\n-4.856930 8.506013 0.000000\n-0.045581 -0.101804 13.985054\nLi V P O\n12 6 16 58\ndirect\n0.663147 0.898096 0.944661 Li\n0.663364 0.763416 0.434786 Li\n0.239991 0.902747 0.436687 Li\n0.096176 0.764989 0.944198 Li\n0.230732 0.332517 0.944342 Li\n0.903327 0.666950 0.556404 Li\n0.103222 0.339728 0.435046 Li\n0.670127 0.340985 0.891136 Li\n0.765445 0.099157 0.556605 Li\n0.326599 0.095274 0.065514 Li\n0.961064 0.985301 0.013984 Li\n0.042016 0.030415 0.495068 Li\n0.002472 0.563758 0.751764 V\n0.996967 0.433944 0.245003 V\n0.562905 0.561048 0.249153 V\n0.435897 0.435729 0.747322 V\n0.566459 0.999577 0.747664 V\n0.436128 0.000057 0.251593 V\n0.685073 0.907763 0.159051 P\n0.686007 0.769814 0.655013 P\n0.224954 0.912526 0.656922 P\n0.337358 0.667766 0.870883 P\n0.330947 0.665937 0.370334 P\n0.088268 0.775748 0.157702 P\n0.914622 0.688704 0.341045 P\n0.224605 0.312181 0.156427 P\n0.779568 0.692615 0.841716 P\n0.084175 0.310380 0.655874 P\n0.910677 0.220654 0.840698 P\n0.670104 0.336083 0.630113 P\n0.663941 0.331314 0.130418 P\n0.776739 0.088405 0.341617 P\n0.307202 0.223345 0.340864 P\n0.315191 0.090531 0.842246 P\n0.775922 0.999546 0.430677 O\n0.668750 0.919266 0.659026 O\n0.788838 0.798348 0.922114 O\n0.653331 0.738465 0.167054 O\n0.532345 0.914122 0.171062 O\n0.487294 0.813993 0.830807 O\n0.383747 0.914770 0.673589 O\n0.231822 0.997473 0.929916 O\n0.257647 0.920702 0.163574 O\n0.485514 0.673960 0.332315 O\n0.526887 0.620930 0.669505 O\n0.322568 0.812116 0.329536 O\n0.335159 0.663203 0.977231 O\n0.327905 0.668680 0.477252 O\n0.187688 0.671038 0.830241 O\n0.376822 0.468808 0.170945 O\n0.333532 0.516760 0.827348 O\n0.084154 0.744346 0.662333 O\n0.999260 0.796837 0.248947 O\n0.003712 0.780934 0.429945 O\n0.012253 0.787355 0.066990 O\n0.094025 0.623179 0.169985 O\n0.185428 0.512785 0.328530 O\n0.922021 0.663722 0.843401 O\n0.080481 0.465005 0.671026 O\n0.250995 0.339189 0.662232 O\n0.799252 0.786441 0.743014 O\n0.768932 0.768302 0.564398 O\n0.199684 0.207701 0.421798 O\n0.746587 0.663819 0.341813 O\n0.916378 0.534194 0.329870 O\n0.082169 0.335554 0.161054 O\n0.816763 0.489344 0.672099 O\n0.896201 0.371375 0.831401 O\n0.004994 0.214816 0.922927 O\n0.000533 0.226217 0.564411 O\n0.984332 0.197799 0.743005 O\n0.919196 0.254699 0.341834 O\n0.669031 0.479434 0.175223 O\n0.627742 0.530260 0.834402 O\n0.810836 0.327614 0.173335 O\n0.661571 0.329034 0.023241 O\n0.671133 0.339510 0.524101 O\n0.676970 0.188053 0.668275 O\n0.458695 0.382932 0.333996 O\n0.524350 0.335318 0.679335 O\n0.739215 0.078665 0.840923 O\n0.797101 0.001344 0.249484 O\n0.771780 0.982829 0.068551 O\n0.621060 0.090517 0.329374 O\n0.510919 0.185046 0.167972 O\n0.480182 0.108054 0.827514 O\n0.332935 0.255537 0.843617 O\n0.224004 0.225205 0.065767 O\n0.209266 0.197081 0.243029 O\n0.342780 0.085609 0.342634 O\n0.219477 0.988592 0.565625 O\n0.208761 0.003672 0.748701 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5851793956748956,
"density_atomic": 0.07902320890201282,
"volume": 1164.214934805775,
"volume_molar": 7.62072414379848,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -693.35906078,
"energy_per_atom": -7.536511530217392,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:03.740000Z",
"spacegroup": 1
},
{
"id": "mp-559505",
"created_at": "2022-09-04T14:42:39.428217Z",
"structure_string": "V4 Te4 O16\n1.0\n4.599526 0.033126 0.000036\n-0.130456 5.484809 -0.000015\n0.000107 -0.000034 13.684430\nV Te O\n4 4 16\ndirect\n0.320919 0.833759 0.660708 V\n0.679065 0.166225 0.339292 V\n0.679092 0.666232 0.160713 V\n0.320857 0.333724 0.839290 V\n0.038328 0.643142 0.389968 Te\n0.038337 0.143128 0.110034 Te\n0.961684 0.856869 0.889966 Te\n0.961696 0.356842 0.610029 Te\n0.168064 0.632666 0.547972 O\n0.753945 0.874578 0.417817 O\n0.680787 0.818909 0.665818 O\n0.186724 0.016950 0.776839 O\n0.813273 0.983049 0.223160 O\n0.831951 0.367326 0.452023 O\n0.186717 0.516950 0.723159 O\n0.813277 0.483055 0.276840 O\n0.246069 0.625439 0.917820 O\n0.753951 0.374578 0.082188 O\n0.319218 0.181120 0.334180 O\n0.319230 0.681137 0.165821 O\n0.168061 0.132683 0.952025 O\n0.680718 0.318894 0.834182 O\n0.831945 0.867318 0.047980 O\n0.246091 0.125429 0.582175 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Te",
"O"
],
"chemical_system": "O-Te-V",
"density": 4.665682298751311,
"density_atomic": 0.06950812191740786,
"volume": 345.2833904578474,
"volume_molar": 8.663938247613325,
"formula_full": "V4 Te4 O16",
"formula_reduced": "VTeO4",
"formula_anonymous": "ABC4",
"energy": -175.6246779,
"energy_per_atom": -7.3176949124999995,
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"updated_at": "2021-11-28T01:35:52.077000Z",
"spacegroup": 14
},
{
"id": "mp-1233080",
"created_at": "2022-09-04T14:42:39.668849Z",
"structure_string": "Mg1 Fe6 Sb10 I6 O18\n1.0\n-7.705177 -0.017179 -2.539114\n0.485048 -0.118145 -9.406177\n-0.211737 -12.173142 -2.909334\nMg Fe Sb I O\n1 6 10 6 18\ndirect\n0.895421 0.582515 0.757982 Mg\n0.720808 0.962822 0.348177 Fe\n0.299257 0.004996 0.644371 Fe\n0.024117 0.959192 0.124761 Fe\n0.978674 0.065027 0.864200 Fe\n0.622715 0.086254 0.061719 Fe\n0.392941 0.933068 0.944870 Fe\n0.884804 0.125073 0.518933 Sb\n0.118272 0.786337 0.506392 Sb\n0.256270 0.138331 0.262330 Sb\n0.729493 0.894295 0.718918 Sb\n0.529231 0.238482 0.757943 Sb\n0.456776 0.790690 0.242983 Sb\n0.207825 0.267295 0.987779 Sb\n0.796558 0.750283 0.010464 Sb\n0.816843 0.287418 0.213230 Sb\n0.202667 0.697382 0.808518 Sb\n0.710244 0.416711 0.928672 I\n0.265474 0.664963 0.067133 I\n0.882174 0.672874 0.306919 I\n0.086229 0.317964 0.679400 I\n0.509005 0.254526 0.423981 I\n0.499362 0.722027 0.581598 I\n0.153126 0.071057 0.978541 O\n0.859711 0.945836 0.011173 O\n0.868017 0.926111 0.478283 O\n0.137688 0.987011 0.537709 O\n0.788537 0.090758 0.188550 O\n0.180960 0.916121 0.793194 O\n0.445901 0.157789 0.912544 O\n0.549427 0.874058 0.091811 O\n0.764362 0.129087 0.785853 O\n0.215728 0.943486 0.226997 O\n0.490881 0.052950 0.706062 O\n0.495899 0.958610 0.300786 O\n0.054877 0.249694 0.140019 O\n0.961518 0.696358 0.865637 O\n0.070344 0.697056 0.666146 O\n0.947374 0.183824 0.349752 O\n0.633856 0.849523 0.886856 O\n0.379449 0.195003 0.110480 O\n",
"nsites": 41,
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"elements": [
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"Fe",
"Sb",
"I",
"O"
],
"chemical_system": "Fe-I-Mg-O-Sb",
"density": 4.8749863074920174,
"density_atomic": 0.04582988575837941,
"volume": 894.6127471527392,
"volume_molar": 13.140204607424597,
"formula_full": "Mg1 Fe6 Sb10 I6 O18",
"formula_reduced": "MgFe6Sb10(IO3)6",
"formula_anonymous": "AB6C6D10E18",
"energy": -250.48804183,
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"spacegroup": 1
},
{
"id": "mp-1202728",
"created_at": "2022-09-04T14:42:39.676747Z",
"structure_string": "K4 Zr2 Si6 O22\n1.0\n4.101317 -5.390087 0.000000\n4.101317 5.390087 0.000000\n0.000000 0.000000 12.105968\nK Zr Si O\n4 2 6 22\ndirect\n0.527679 0.125222 0.549912 K\n0.125222 0.527679 0.450088 K\n0.472321 0.874778 0.049912 K\n0.874778 0.472321 0.950088 K\n0.407537 0.592463 0.750000 Zr\n0.592463 0.407537 0.250000 Zr\n0.673221 0.673221 0.500000 Si\n0.326779 0.326779 0.000000 Si\n0.289609 0.065475 0.791125 Si\n0.065475 0.289609 0.208875 Si\n0.710391 0.934525 0.291125 Si\n0.934525 0.710391 0.708875 Si\n0.474791 0.652200 0.578730 O\n0.652200 0.474791 0.421270 O\n0.525209 0.347800 0.078730 O\n0.347800 0.525209 0.921270 O\n0.366457 0.277918 0.723456 O\n0.277918 0.366457 0.276544 O\n0.633543 0.722082 0.223456 O\n0.722082 0.633543 0.776544 O\n0.288974 0.114512 0.925374 O\n0.114512 0.288974 0.074626 O\n0.711026 0.885488 0.425374 O\n0.885488 0.711026 0.574626 O\n0.433841 0.910342 0.774277 O\n0.910342 0.433841 0.225723 O\n0.566159 0.089658 0.274277 O\n0.089658 0.566159 0.725723 O\n0.052968 0.947032 0.750000 O\n0.947032 0.052968 0.250000 O\n0.793274 0.050310 0.902606 O\n0.050310 0.793274 0.097394 O\n0.206726 0.949690 0.402606 O\n0.949690 0.206726 0.597394 O\n",
"nsites": 34,
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"elements": [
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"Zr",
"Si",
"O"
],
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"density_atomic": 0.06352289559444167,
"volume": 535.2400844109984,
"volume_molar": 9.480268025639159,
"formula_full": "K4 Zr2 Si6 O22",
"formula_reduced": "K2ZrSi3O11",
"formula_anonymous": "AB2C3D11",
"energy": -251.06159262,
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"spacegroup": 20
},
{
"id": "mp-556229",
"created_at": "2022-09-04T14:42:39.679368Z",
"structure_string": "Li4 Mn2 F10\n1.0\n2.527425 5.108281 0.000000\n-2.527425 5.108281 0.000000\n0.000000 2.834923 6.960033\nLi Mn F\n4 2 10\ndirect\n0.628876 0.642962 0.754509 Li\n0.642962 0.628876 0.254509 Li\n0.371124 0.357038 0.245491 Li\n0.357038 0.371124 0.745491 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.215501 0.784499 0.250000 F\n0.784499 0.215501 0.750000 F\n0.776691 0.395921 0.044733 F\n0.604079 0.223309 0.455267 F\n0.223309 0.604079 0.955267 F\n0.395921 0.776691 0.544733 F\n0.328498 0.026997 0.852354 F\n0.973003 0.671502 0.647646 F\n0.671502 0.973003 0.147646 F\n0.026997 0.328498 0.352354 F\n",
"nsites": 16,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.027126827041776,
"density_atomic": 0.08902779805507763,
"volume": 179.719147834045,
"volume_molar": 6.764337534524176,
"formula_full": "Li4 Mn2 F10",
"formula_reduced": "Li2MnF5",
"formula_anonymous": "AB2C5",
"energy": -93.04616956,
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"updated_at": "2021-11-28T01:35:50.540000Z",
"spacegroup": 15
},
{
"id": "mp-23294",
"created_at": "2022-09-04T14:42:39.174011Z",
"structure_string": "Ru4 Br12\n1.0\n5.925980 0.000000 0.000000\n0.000000 7.141663 0.000000\n0.000000 0.000000 12.413004\nRu Br\n4 12\ndirect\n0.749742 0.254000 0.500000 Ru\n0.249742 0.746000 0.000000 Ru\n0.250258 0.254000 0.500000 Ru\n0.750258 0.746000 0.000000 Ru\n0.000000 0.969473 0.500000 Br\n0.500000 0.030527 0.000000 Br\n0.500000 0.538850 0.500000 Br\n0.000000 0.461150 0.000000 Br\n0.000000 0.396565 0.358405 Br\n0.500000 0.603435 0.141595 Br\n0.000000 0.396565 0.641595 Br\n0.500000 0.603435 0.858405 Br\n0.000000 0.888752 0.141859 Br\n0.500000 0.111248 0.358141 Br\n0.000000 0.888752 0.858141 Br\n0.500000 0.111248 0.641859 Br\n",
"nsites": 16,
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"elements": [
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"density": 4.308730257941109,
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"volume": 525.3351129615461,
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"formula_full": "Ru4 Br12",
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"formula_anonymous": "AB3",
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"spacegroup": 59
},
{
"id": "mp-1093916",
"created_at": "2022-09-04T14:42:39.176006Z",
"structure_string": "Hf1 Zr1 Co2\n1.0\n-4.449838 5.506383 8.487875\n4.449838 -5.506383 8.487875\n4.449838 5.506383 -8.487875\nHf Zr Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Zr\n0.000000 0.748669 0.748669 Co\n0.000000 0.251331 0.251331 Co\n",
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{
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{
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{
"id": "mp-1210180",
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"structure_string": "Na5 I1 O6\n1.0\n4.962042 2.902337 0.000000\n-4.962042 2.902337 0.000000\n0.000000 2.038689 5.323087\nNa I O\n5 1 6\ndirect\n0.833407 0.166593 0.000000 Na\n0.166593 0.833407 0.000000 Na\n0.670613 0.329387 0.500000 Na\n0.329387 0.670613 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 I\n0.430547 0.154325 0.214624 O\n0.569453 0.845675 0.785376 O\n0.845675 0.569453 0.785376 O\n0.154325 0.430547 0.214624 O\n0.702291 0.702291 0.202470 O\n0.297709 0.297709 0.797530 O\n",
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"elements": [
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"volume": 153.32106747321953,
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"formula_full": "Na5 I1 O6",
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}