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{
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"results": [
{
"id": "mp-1219469",
"created_at": "2022-09-04T14:39:08.359995Z",
"structure_string": "Sb1 Pd6 Se1\n1.0\n7.526028 -2.269496 0.000000\n7.526028 2.269496 0.000000\n6.841654 0.000000 3.870848\nSb Pd Se\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.251285 0.251285 0.251285 Pd\n0.748715 0.748715 0.748715 Pd\n0.623896 0.623896 0.623896 Pd\n0.126098 0.126098 0.126098 Pd\n0.873902 0.873902 0.873902 Pd\n0.376104 0.376104 0.376104 Pd\n0.500000 0.500000 0.500000 Se\n",
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"density": 10.539109278922759,
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{
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"structure_string": "Li9 Sn3 P6 O24\n1.0\n4.259500 -7.377670 0.000000\n4.259500 7.377670 0.000000\n0.000000 0.000000 7.708994\nLi Sn P O\n9 3 6 24\ndirect\n0.350495 0.008074 0.640321 Li\n0.991926 0.342421 0.640321 Li\n0.000000 0.000000 0.601232 Li\n0.333333 0.666667 0.529047 Li\n0.306899 0.348429 0.354733 Li\n0.657579 0.649505 0.640321 Li\n0.666667 0.333333 0.499182 Li\n0.041530 0.693101 0.354733 Li\n0.651571 0.958470 0.354733 Li\n0.000000 0.000000 0.050046 Sn\n0.333333 0.666667 0.027378 Sn\n0.666667 0.333333 0.946421 Sn\n0.021507 0.685260 0.747538 P\n0.314740 0.336246 0.747538 P\n0.663754 0.978493 0.747538 P\n0.370243 0.037739 0.245252 P\n0.667496 0.629757 0.245252 P\n0.962261 0.332504 0.245252 P\n0.159552 0.939078 0.254546 O\n0.143588 0.709385 0.588023 O\n0.144089 0.768545 0.908630 O\n0.432004 0.894447 0.218413 O\n0.105553 0.537557 0.218413 O\n0.060922 0.220474 0.254546 O\n0.624456 0.855911 0.908630 O\n0.227909 0.133393 0.708719 O\n0.231455 0.375544 0.908630 O\n0.290615 0.434202 0.588023 O\n0.565798 0.856412 0.588023 O\n0.462443 0.567996 0.218413 O\n0.527730 0.417119 0.774968 O\n0.448524 0.136841 0.416147 O\n0.688317 0.551476 0.416147 O\n0.744683 0.567280 0.091407 O\n0.779526 0.840448 0.254546 O\n0.432720 0.177404 0.091407 O\n0.905484 0.772091 0.708719 O\n0.889389 0.472270 0.774968 O\n0.582881 0.110611 0.774968 O\n0.822596 0.255317 0.091407 O\n0.863159 0.311683 0.416147 O\n0.866607 0.094516 0.708719 O\n",
"nsites": 42,
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"elements": [
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"Sn",
"P",
"O"
],
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"density": 3.3875695601838793,
"density_atomic": 0.08668495717722738,
"volume": 484.5131308553456,
"volume_molar": 6.9471577954266435,
"formula_full": "Li9 Sn3 P6 O24",
"formula_reduced": "Li3Sn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -288.19144356,
"energy_per_atom": -6.861701037142857,
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"updated_at": "2021-11-28T01:34:30.445000Z",
"spacegroup": 143
},
{
"id": "mp-1225151",
"created_at": "2022-09-04T14:39:08.382263Z",
"structure_string": "Eu1 V2 Bi1 O8\n1.0\n-3.682362 3.682362 3.249984\n3.682362 -3.682362 3.249984\n3.682362 3.682362 -3.249984\nEu V Bi O\n1 2 1 8\ndirect\n0.250000 0.750000 0.500000 Eu\n0.750000 0.250000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Bi\n0.920813 0.603201 0.682388 O\n0.488735 0.671344 0.817391 O\n0.853953 0.671344 0.182609 O\n0.920813 0.238425 0.317612 O\n0.328656 0.146047 0.817391 O\n0.761575 0.079187 0.682388 O\n0.396799 0.079187 0.317612 O\n0.328656 0.511265 0.182609 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"V",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-O-V",
"density": 5.565600409005972,
"density_atomic": 0.06807490929804697,
"volume": 176.27640086101846,
"volume_molar": 8.846344155426987,
"formula_full": "Eu1 V2 Bi1 O8",
"formula_reduced": "EuV2BiO8",
"formula_anonymous": "ABC2D8",
"energy": -101.72067976,
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"updated_at": "2021-11-28T01:34:45.043000Z",
"spacegroup": 119
},
{
"id": "mp-1215207",
"created_at": "2022-09-04T14:39:08.389462Z",
"structure_string": "Zr1 Sc1 Fe4\n1.0\n0.000000 3.511246 3.511246\n3.511246 0.000000 3.511246\n3.511246 3.511246 0.000000\nZr Sc Fe\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sc\n0.624610 0.624610 0.126171 Fe\n0.624610 0.126171 0.624610 Fe\n0.126171 0.624610 0.624610 Fe\n0.624610 0.624610 0.624610 Fe\n",
"nsites": 6,
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"elements": [
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"Sc",
"Fe"
],
"chemical_system": "Fe-Sc-Zr",
"density": 6.896148340675168,
"density_atomic": 0.06930067780816128,
"volume": 86.57923976745582,
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"formula_full": "Zr1 Sc1 Fe4",
"formula_reduced": "ZrScFe4",
"formula_anonymous": "ABC4",
"energy": -50.51846866,
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"updated_at": "2021-11-28T01:34:25.053000Z",
"spacegroup": 216
},
{
"id": "mp-775445",
"created_at": "2022-09-04T14:39:08.407061Z",
"structure_string": "Fe10 O16 F4\n1.0\n4.652051 0.000000 0.000000\n0.163633 7.603274 0.000000\n0.246074 3.328649 9.191193\nFe O F\n10 16 4\ndirect\n0.506482 0.698384 0.895489 Fe\n0.490979 0.897196 0.311211 Fe\n0.531446 0.106313 0.708179 Fe\n0.464294 0.307238 0.092662 Fe\n0.472852 0.492056 0.491668 Fe\n0.008419 0.395979 0.805306 Fe\n0.002782 0.794567 0.603720 Fe\n0.993827 0.197853 0.397846 Fe\n0.003475 0.615719 0.199365 Fe\n0.021442 0.994793 0.995574 Fe\n0.187828 0.234530 0.976107 O\n0.174801 0.435976 0.370335 O\n0.187821 0.632326 0.776402 O\n0.197646 0.853554 0.173001 O\n0.325919 0.935967 0.872549 O\n0.305481 0.335723 0.677986 O\n0.302161 0.548845 0.072556 O\n0.301111 0.141049 0.278606 O\n0.298497 0.730323 0.485529 O\n0.704815 0.861882 0.721923 O\n0.695060 0.259729 0.523207 O\n0.686213 0.659348 0.325345 O\n0.691462 0.461521 0.919319 O\n0.811891 0.960196 0.427996 O\n0.823709 0.160822 0.830197 O\n0.815596 0.771079 0.022404 O\n0.206221 0.038543 0.581064 F\n0.695346 0.066951 0.124584 F\n0.801009 0.550525 0.624957 F\n0.791417 0.361012 0.214917 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.548140202391646,
"density_atomic": 0.09227929339206825,
"volume": 325.1000186199802,
"volume_molar": 6.525993577360472,
"formula_full": "Fe10 O16 F4",
"formula_reduced": "Fe5(O4F)2",
"formula_anonymous": "A2B5C8",
"energy": -218.68349572,
"energy_per_atom": -7.2894498573333335,
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"updated_at": "2021-11-28T01:34:36.242000Z",
"spacegroup": 1
},
{
"id": "mp-555512",
"created_at": "2022-09-04T14:39:08.438572Z",
"structure_string": "Rb8 C8 O16\n1.0\n10.650062 0.000000 0.000000\n0.000000 6.478769 0.000000\n0.000000 1.112817 8.270880\nRb C O\n8 8 16\ndirect\n0.584134 0.769266 0.334065 Rb\n0.705396 0.283587 0.019957 Rb\n0.915866 0.769266 0.834065 Rb\n0.084134 0.230734 0.165935 Rb\n0.205396 0.716413 0.480043 Rb\n0.415866 0.230734 0.665935 Rb\n0.294604 0.716413 0.980043 Rb\n0.794604 0.283587 0.519957 Rb\n0.106570 0.166928 0.658478 C\n0.445392 0.312960 0.272906 C\n0.554608 0.687040 0.727094 C\n0.606570 0.833072 0.841522 C\n0.893430 0.833072 0.341522 C\n0.945392 0.687040 0.227094 C\n0.054608 0.312960 0.772906 C\n0.393430 0.166928 0.158478 C\n0.444303 0.724659 0.670295 O\n0.555697 0.275341 0.329705 O\n0.126213 0.459440 0.804775 O\n0.156478 0.998291 0.725960 O\n0.373787 0.459440 0.304775 O\n0.097671 0.225628 0.507588 O\n0.343522 0.998291 0.225960 O\n0.843522 0.001709 0.274040 O\n0.597671 0.774372 0.992412 O\n0.902329 0.774372 0.492412 O\n0.626213 0.540560 0.695225 O\n0.656478 0.001709 0.774040 O\n0.873787 0.540560 0.195225 O\n0.944303 0.275341 0.829705 O\n0.055697 0.724659 0.170295 O\n0.402329 0.225628 0.007588 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "C-O-Rb",
"density": 3.0139522503153158,
"density_atomic": 0.05607297866603643,
"volume": 570.6848603600668,
"volume_molar": 10.739826745903958,
"formula_full": "Rb8 C8 O16",
"formula_reduced": "RbCO2",
"formula_anonymous": "ABC2",
"energy": -221.52034809,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:25.708000Z",
"spacegroup": 14
},
{
"id": "mp-698267",
"created_at": "2022-09-04T14:39:08.330553Z",
"structure_string": "Co6 H6 C6 O18\n1.0\n6.873101 0.000000 0.000000\n1.024513 8.044706 0.000000\n1.406917 2.665854 8.863132\nCo H C O\n6 6 6 18\ndirect\n0.997055 0.033725 0.763302 Co\n0.263070 0.257751 0.614149 Co\n0.728775 0.141481 0.987262 Co\n0.002945 0.966275 0.236698 Co\n0.736930 0.742249 0.385851 Co\n0.271225 0.858519 0.012738 Co\n0.508239 0.886510 0.743015 H\n0.842285 0.440482 0.713014 H\n0.013377 0.715682 0.917399 H\n0.491761 0.113490 0.256985 H\n0.157715 0.559518 0.286986 H\n0.986623 0.284318 0.082601 H\n0.161404 0.463155 0.223296 C\n0.428945 0.235707 0.182815 C\n0.420177 0.566231 0.521337 C\n0.838596 0.536845 0.776704 C\n0.571055 0.764293 0.817185 C\n0.579823 0.433769 0.478663 C\n0.480108 0.290948 0.045583 O\n0.687629 0.669926 0.735311 O\n0.738108 0.970231 0.309931 O\n0.519892 0.709052 0.954417 O\n0.312371 0.330074 0.264689 O\n0.261892 0.029769 0.690069 O\n0.042775 0.461135 0.142286 O\n0.737554 0.048458 0.831858 O\n0.002184 0.254712 0.638467 O\n0.957225 0.538865 0.857714 O\n0.262446 0.951542 0.168142 O\n0.997816 0.745288 0.361533 O\n0.943506 0.173838 0.079869 O\n0.540654 0.276057 0.519991 O\n0.260514 0.506652 0.595011 O\n0.056494 0.826162 0.920131 O\n0.459346 0.723943 0.480009 O\n0.739486 0.493348 0.404989 O\n",
"nsites": 36,
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"elements": [
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"H",
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"density": 2.4386563594989004,
"density_atomic": 0.07346024634630587,
"volume": 490.0609757049957,
"volume_molar": 8.197822712995624,
"formula_full": "Co6 H6 C6 O18",
"formula_reduced": "CoHCO3",
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"energy": -243.92500502,
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"updated_at": "2021-11-28T01:34:35.097000Z",
"spacegroup": 2
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{
"id": "mp-1044078",
"created_at": "2022-09-04T14:39:08.338148Z",
"structure_string": "La4 Zn4 Fe4 Ag4 O24\n1.0\n-0.000287 5.181543 -0.090766\n0.000897 -0.317429 17.864672\n5.527526 -0.000299 0.000273\nLa Zn Fe Ag O\n4 4 4 4 24\ndirect\n0.969847 0.127530 0.065270 La\n0.969859 0.627525 0.065267 La\n0.469974 0.377518 0.434535 La\n0.470001 0.877514 0.434535 La\n0.535225 0.123500 0.564687 Zn\n0.535241 0.623493 0.564665 Zn\n0.035181 0.373528 0.935396 Zn\n0.035198 0.873532 0.935352 Zn\n0.003815 0.501462 0.505658 Fe\n0.503859 0.751544 0.994309 Fe\n0.003825 0.001503 0.505604 Fe\n0.503812 0.251524 0.994330 Fe\n0.994388 0.251586 0.507840 Ag\n0.994433 0.751574 0.507845 Ag\n0.494291 0.001586 0.992171 Ag\n0.494259 0.501594 0.992210 Ag\n0.673812 0.344361 0.041460 O\n0.673798 0.844325 0.041422 O\n0.173876 0.094329 0.458737 O\n0.173821 0.594320 0.458850 O\n0.192053 0.453031 0.191157 O\n0.192071 0.953017 0.191146 O\n0.692044 0.203074 0.309083 O\n0.692052 0.703061 0.309087 O\n0.208449 0.280254 0.202488 O\n0.208477 0.780229 0.202468 O\n0.708524 0.030278 0.297391 O\n0.708561 0.530279 0.297403 O\n0.886606 0.403904 0.566201 O\n0.886554 0.903877 0.566229 O\n0.387079 0.153830 0.933442 O\n0.387069 0.653823 0.933460 O\n0.267237 0.300050 0.736627 O\n0.267338 0.800009 0.736718 O\n0.767266 0.049974 0.763229 O\n0.767323 0.549950 0.763211 O\n0.267971 0.464368 0.721457 O\n0.268056 0.964355 0.721444 O\n0.768389 0.214401 0.778805 O\n0.768369 0.714384 0.778807 O\n",
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"formula_full": "La4 Zn4 Fe4 Ag4 O24",
"formula_reduced": "LaZnFeAgO6",
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"energy": -259.47259566,
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{
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]
}