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{
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"results": [
{
"id": "mp-704879",
"created_at": "2022-09-04T14:40:23.637059Z",
"structure_string": "Ni10 Te8 Br4 O24\n1.0\n2.656193 10.232334 0.000000\n-2.656193 10.232334 0.000000\n0.000000 9.416583 13.498219\nNi Te Br O\n10 8 4 24\ndirect\n0.227669 0.791968 0.377777 Ni\n0.791968 0.227669 0.877777 Ni\n0.697702 0.130040 0.471138 Ni\n0.869960 0.302298 0.028862 Ni\n0.208032 0.772331 0.122223 Ni\n0.130040 0.697702 0.971138 Ni\n0.302298 0.869960 0.528862 Ni\n0.772331 0.208032 0.622223 Ni\n0.247024 0.752976 0.750000 Ni\n0.752976 0.247024 0.250000 Ni\n0.805133 0.438469 0.363781 Te\n0.140263 0.572758 0.379957 Te\n0.859737 0.427242 0.620043 Te\n0.572758 0.140263 0.879957 Te\n0.427242 0.859737 0.120043 Te\n0.194867 0.561531 0.636219 Te\n0.438469 0.805133 0.863781 Te\n0.561531 0.194867 0.136219 Te\n0.933112 0.541483 0.901459 Br\n0.458517 0.066888 0.598541 Br\n0.066888 0.458517 0.098541 Br\n0.541483 0.933112 0.401459 Br\n0.052927 0.763771 0.517682 O\n0.763771 0.052927 0.017682 O\n0.690058 0.448973 0.930102 O\n0.930472 0.919889 0.354647 O\n0.448496 0.776724 0.249299 O\n0.223276 0.551504 0.250701 O\n0.919889 0.930472 0.854647 O\n0.947073 0.236229 0.482318 O\n0.236229 0.947073 0.982318 O\n0.433907 0.440812 0.869306 O\n0.448973 0.690058 0.430102 O\n0.873031 0.205879 0.356548 O\n0.080111 0.069528 0.145353 O\n0.440812 0.433907 0.369306 O\n0.566093 0.559188 0.130694 O\n0.205879 0.873031 0.856548 O\n0.126969 0.794121 0.643452 O\n0.776724 0.448496 0.749299 O\n0.794121 0.126969 0.143452 O\n0.559188 0.566093 0.630694 O\n0.551027 0.309942 0.569898 O\n0.551504 0.223276 0.750701 O\n0.309942 0.551027 0.069898 O\n0.069528 0.080111 0.645353 O\n",
"nsites": 46,
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"elements": [
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],
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"density": 5.230838416827583,
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"volume": 733.7376447103238,
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"formula_full": "Ni10 Te8 Br4 O24",
"formula_reduced": "Ni5Te4(BrO6)2",
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},
{
"id": "mp-1223980",
"created_at": "2022-09-04T14:40:23.656917Z",
"structure_string": "Ho2 Ni2 Ge2\n1.0\n2.067685 5.098920 0.000000\n-2.067685 5.098920 0.000000\n0.000000 4.566904 5.093358\nHo Ni Ge\n2 2 2\ndirect\n0.451749 0.451749 0.807770 Ho\n0.548251 0.548251 0.192230 Ho\n0.170088 0.170088 0.779113 Ni\n0.829912 0.829912 0.220887 Ni\n0.829867 0.829867 0.606547 Ge\n0.170133 0.170133 0.393453 Ge\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ge-Ho-Ni",
"density": 9.161377757935856,
"density_atomic": 0.0558668875482515,
"volume": 107.39814339608375,
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"formula_full": "Ho2 Ni2 Ge2",
"formula_reduced": "HoNiGe",
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"updated_at": "2021-11-28T01:34:47.726000Z",
"spacegroup": 12
},
{
"id": "mp-18169",
"created_at": "2022-09-04T14:40:23.660075Z",
"structure_string": "Rb4 Eu4 P4 O16\n1.0\n5.529720 0.000000 0.000000\n0.000000 7.709945 0.000000\n0.000000 0.000000 10.428698\nRb Eu P O\n4 4 4 16\ndirect\n0.250000 0.142292 0.430740 Rb\n0.250000 0.642292 0.069260 Rb\n0.750000 0.857708 0.569260 Rb\n0.750000 0.357708 0.930740 Rb\n0.250000 0.034131 0.826345 Eu\n0.750000 0.965869 0.173655 Eu\n0.250000 0.534131 0.673655 Eu\n0.750000 0.465869 0.326345 Eu\n0.250000 0.702826 0.393144 P\n0.750000 0.297174 0.606856 P\n0.750000 0.797174 0.893144 P\n0.250000 0.202826 0.106856 P\n0.250000 0.293363 0.972748 O\n0.750000 0.706637 0.027252 O\n0.250000 0.793363 0.527252 O\n0.750000 0.206637 0.472748 O\n0.250000 0.002860 0.082607 O\n0.750000 0.997140 0.917393 O\n0.250000 0.502860 0.417393 O\n0.750000 0.497140 0.582607 O\n0.483093 0.752788 0.317050 O\n0.983093 0.247212 0.682950 O\n0.016907 0.252788 0.182950 O\n0.516907 0.747212 0.817050 O\n0.483093 0.252788 0.182950 O\n0.983093 0.747212 0.817050 O\n0.016907 0.752788 0.317050 O\n0.516907 0.247212 0.682950 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.06297577476194045,
"volume": 444.6154113362629,
"volume_molar": 9.56263068261527,
"formula_full": "Rb4 Eu4 P4 O16",
"formula_reduced": "RbEuPO4",
"formula_anonymous": "ABCD4",
"energy": -229.18247381,
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"updated_at": "2021-11-28T01:34:52.401000Z",
"spacegroup": 62
},
{
"id": "mp-1517069",
"created_at": "2022-09-04T14:40:24.287886Z",
"structure_string": "Ba1 Tb1 Nd1 Fe1 O6\n1.0\n0.000000 -4.141003 -4.141003\n4.141003 0.000000 -4.141003\n4.141003 -4.141003 0.000000\nBa Tb Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Fe\n0.764707 0.235293 0.235293 O\n0.235293 0.764707 0.764707 O\n0.764707 0.235293 0.764707 O\n0.235293 0.764707 0.235293 O\n0.764707 0.764707 0.235293 O\n0.235293 0.235293 0.764707 O\n",
"nsites": 10,
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"elements": [
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"Tb",
"Nd",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Nd-O-Tb",
"density": 6.925807420664301,
"density_atomic": 0.0704130844344722,
"volume": 142.01905910408166,
"volume_molar": 8.552587645275395,
"formula_full": "Ba1 Tb1 Nd1 Fe1 O6",
"formula_reduced": "BaTbNdFeO6",
"formula_anonymous": "ABCDE6",
"energy": -77.62501456,
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"updated_at": "2021-11-28T01:34:50.185000Z",
"spacegroup": 216
},
{
"id": "mp-29554",
"created_at": "2022-09-04T14:41:11.775663Z",
"structure_string": "W6 Br30\n1.0\n9.636617 10.374075 0.000000\n-9.636617 10.374075 0.000000\n0.000000 0.029441 6.469183\nW Br\n6 30\ndirect\n0.440065 0.226451 0.480887 W\n0.773549 0.559935 0.519113 W\n0.559935 0.773549 0.519113 W\n0.226451 0.440065 0.480887 W\n0.106529 0.893471 0.000000 W\n0.893471 0.106529 0.000000 W\n0.526678 0.333135 0.262343 Br\n0.666865 0.473322 0.737657 Br\n0.473322 0.666865 0.737657 Br\n0.333135 0.526678 0.262343 Br\n0.572836 0.196302 0.715432 Br\n0.803698 0.427164 0.284568 Br\n0.047815 0.047815 0.779930 Br\n0.952185 0.952185 0.220070 Br\n0.861786 0.239946 0.765864 Br\n0.760054 0.138214 0.234136 Br\n0.138214 0.760054 0.234136 Br\n0.239946 0.861786 0.765864 Br\n0.000688 0.192171 0.215761 Br\n0.807829 0.999312 0.784239 Br\n0.999312 0.807829 0.784239 Br\n0.192171 0.000688 0.215761 Br\n0.285843 0.285843 0.263553 Br\n0.714157 0.714157 0.736447 Br\n0.092626 0.471020 0.249987 Br\n0.528980 0.907374 0.750013 Br\n0.907374 0.528980 0.750013 Br\n0.471020 0.092626 0.249987 Br\n0.140500 0.333008 0.700549 Br\n0.666992 0.859500 0.299451 Br\n0.859500 0.666992 0.299451 Br\n0.333008 0.140500 0.700549 Br\n0.380686 0.380686 0.697879 Br\n0.619314 0.619314 0.302121 Br\n0.196302 0.572836 0.715432 Br\n0.427164 0.803698 0.284568 Br\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Br-W",
"density": 4.4934879405855215,
"density_atomic": 0.02783229932554858,
"volume": 1293.4612257117365,
"volume_molar": 21.637237691217244,
"formula_full": "W6 Br30",
"formula_reduced": "WBr5",
"formula_anonymous": "AB5",
"energy": -159.68919770999997,
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"updated_at": "2021-11-28T01:35:14.486000Z",
"spacegroup": 12
},
{
"id": "mp-569462",
"created_at": "2022-09-04T14:40:23.690042Z",
"structure_string": "Pr30 Si20 Ni14\n1.0\n9.933989 -17.206174 0.000000\n9.933989 17.206174 0.000000\n0.000000 0.000000 4.381648\nPr Si Ni\n30 20 14\ndirect\n0.918003 0.419573 0.250000 Pr\n0.852866 0.984095 0.250000 Pr\n0.644166 0.678566 0.750000 Pr\n0.034400 0.355834 0.750000 Pr\n0.466106 0.710555 0.750000 Pr\n0.197565 0.321770 0.750000 Pr\n0.419573 0.501570 0.750000 Pr\n0.131229 0.147134 0.250000 Pr\n0.868771 0.852866 0.750000 Pr\n0.802435 0.678230 0.250000 Pr\n0.678566 0.034400 0.250000 Pr\n0.710555 0.244450 0.250000 Pr\n0.984095 0.131229 0.750000 Pr\n0.321434 0.965600 0.750000 Pr\n0.081997 0.580427 0.750000 Pr\n0.124206 0.802435 0.750000 Pr\n0.321770 0.124206 0.250000 Pr\n0.533894 0.289445 0.250000 Pr\n0.580427 0.498430 0.250000 Pr\n0.965600 0.644166 0.250000 Pr\n0.498430 0.918003 0.750000 Pr\n0.755550 0.466106 0.250000 Pr\n0.289445 0.755550 0.750000 Pr\n0.355834 0.321434 0.250000 Pr\n0.678230 0.875794 0.750000 Pr\n0.015905 0.868771 0.250000 Pr\n0.875794 0.197565 0.250000 Pr\n0.501570 0.081997 0.250000 Pr\n0.244450 0.533894 0.750000 Pr\n0.147134 0.015905 0.750000 Pr\n0.889717 0.514972 0.750000 Si\n0.710650 0.555201 0.750000 Si\n0.155450 0.710650 0.250000 Si\n0.625255 0.110283 0.750000 Si\n0.256847 0.195683 0.750000 Si\n0.514972 0.625255 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.195683 0.938837 0.250000 Si\n0.485028 0.374745 0.750000 Si\n0.110283 0.485028 0.250000 Si\n0.804317 0.061163 0.750000 Si\n0.844550 0.289350 0.750000 Si\n0.374745 0.889717 0.250000 Si\n0.938837 0.743153 0.750000 Si\n0.061163 0.256847 0.250000 Si\n0.333333 0.666667 0.250000 Si\n0.743153 0.804317 0.250000 Si\n0.444799 0.155450 0.750000 Si\n0.289350 0.444799 0.250000 Si\n0.555201 0.844550 0.250000 Si\n0.800515 0.379405 0.750000 Ni\n0.847099 0.606291 0.750000 Ni\n0.606291 0.759192 0.250000 Ni\n0.759192 0.152901 0.750000 Ni\n0.620595 0.421110 0.750000 Ni\n0.421110 0.800515 0.250000 Ni\n0.578890 0.199485 0.750000 Ni\n0.199485 0.620595 0.250000 Ni\n0.379405 0.578890 0.250000 Ni\n0.152901 0.393709 0.250000 Ni\n0.393709 0.240808 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.240808 0.847099 0.250000 Ni\n",
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"formula_full": "Pr30 Si20 Ni14",
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{
"id": "mp-807825",
"created_at": "2022-09-04T14:40:23.697754Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.764318 0.000000 0.000000\n-1.918193 9.085798 0.000000\n-1.918680 -4.655413 7.817161\nLi V P H O\n2 4 8 4 32\ndirect\n0.357285 0.722265 0.907875 Li\n0.852753 0.580130 0.290310 Li\n0.499735 0.265286 0.745508 V\n0.990081 0.499780 0.000734 V\n0.003335 0.986902 0.504975 V\n0.487921 0.753071 0.248764 V\n0.268859 0.963522 0.392454 P\n0.265242 0.455908 0.893967 P\n0.231670 0.333462 0.510217 P\n0.229050 0.858880 0.997823 P\n0.766854 0.649819 0.497817 P\n0.763332 0.161637 0.992067 P\n0.732828 0.044579 0.602413 P\n0.732926 0.556849 0.102739 P\n0.510424 0.772907 0.735207 H\n0.492547 0.235307 0.259304 H\n0.989021 0.501577 0.507888 H\n0.999730 0.000476 0.999650 H\n0.052052 0.011521 0.937509 O\n0.340076 0.078631 0.872416 O\n0.629952 0.363888 0.816376 O\n0.681263 0.888796 0.946297 O\n0.158174 0.513250 0.930923 O\n0.159338 0.018037 0.428598 O\n0.317405 0.635569 0.541581 O\n0.362079 0.144837 0.684409 O\n0.439566 0.583840 0.868130 O\n0.443773 0.097246 0.361099 O\n0.656159 0.435719 0.623083 O\n0.818308 0.859802 0.466943 O\n0.824291 0.354182 0.978352 O\n0.056587 0.516520 0.429881 O\n0.131077 0.577264 0.745042 O\n0.131955 0.118729 0.228385 O\n0.863852 0.898010 0.763716 O\n0.863266 0.412771 0.262029 O\n0.942988 0.468764 0.574333 O\n0.184212 0.135891 0.531099 O\n0.183108 0.667694 0.010988 O\n0.352418 0.548642 0.386408 O\n0.553152 0.922596 0.628983 O\n0.558529 0.429576 0.125578 O\n0.633739 0.828997 0.325424 O\n0.684040 0.384922 0.438829 O\n0.844342 0.980509 0.572273 O\n0.853565 0.497803 0.070363 O\n0.324960 0.110321 0.059351 O\n0.366749 0.666675 0.173970 O\n0.659894 0.932004 0.124951 O\n0.939394 0.983425 0.067927 O\n",
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{
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"structure_string": "Ce2 Al2 Au2\n1.0\n2.269536 -3.930952 0.000000\n2.269536 3.930952 0.000000\n0.000000 0.000000 7.585624\nCe Al Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
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{
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