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{
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"results": [
{
"id": "mp-684991",
"created_at": "2022-09-04T14:44:22.005465Z",
"structure_string": "Na2 Ca2 Sc2 Zn2 Si8 O24\n1.0\n9.106773 0.000000 0.000000\n0.000000 5.360913 0.000000\n0.000000 2.558416 9.557819\nNa Ca Sc Zn Si O\n2 2 2 2 8 24\ndirect\n0.552873 0.000000 0.750000 Na\n0.447127 0.000000 0.250000 Na\n0.049537 0.500000 0.250000 Ca\n0.950463 0.500000 0.750000 Ca\n0.646379 0.500000 0.250000 Sc\n0.353621 0.500000 0.750000 Sc\n0.151624 0.000000 0.750000 Zn\n0.848376 0.000000 0.250000 Zn\n0.840724 0.197472 0.539169 Si\n0.840724 0.802528 0.960831 Si\n0.339273 0.700013 0.036816 Si\n0.159276 0.197472 0.039169 Si\n0.339273 0.299987 0.463184 Si\n0.159276 0.802528 0.460831 Si\n0.660727 0.700013 0.536816 Si\n0.660727 0.299987 0.963184 Si\n0.766498 0.095458 0.902241 O\n0.997374 0.209196 0.612357 O\n0.835927 0.283156 0.367888 O\n0.260273 0.589964 0.400378 O\n0.835927 0.716844 0.132112 O\n0.497061 0.700221 0.110110 O\n0.233502 0.095458 0.402241 O\n0.997374 0.790804 0.887643 O\n0.334653 0.775999 0.866909 O\n0.002626 0.209196 0.112357 O\n0.766498 0.904542 0.597759 O\n0.164073 0.283156 0.867888 O\n0.334653 0.224001 0.633091 O\n0.739727 0.589964 0.900378 O\n0.497061 0.299779 0.389890 O\n0.164073 0.716844 0.632112 O\n0.502939 0.700221 0.610110 O\n0.260273 0.410036 0.099622 O\n0.002626 0.790804 0.387643 O\n0.665347 0.775999 0.366909 O\n0.233502 0.904542 0.097759 O\n0.665347 0.224001 0.133091 O\n0.502939 0.299779 0.889890 O\n0.739727 0.410036 0.599622 O\n",
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"formula_full": "Na2 Ca2 Sc2 Zn2 Si8 O24",
"formula_reduced": "NaCaScZn(SiO3)4",
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"spacegroup": 13
},
{
"id": "mp-694985",
"created_at": "2022-09-04T14:44:22.010224Z",
"structure_string": "Na4 Sc8 Zn4 Mo18 O72\n1.0\n9.641024 0.000000 0.000000\n4.779318 8.373125 0.000000\n0.082728 0.048504 23.701153\nNa Sc Zn Mo O\n4 8 4 18 72\ndirect\n0.997412 0.998179 0.000823 Na\n0.331201 0.330560 0.167894 Na\n0.664617 0.663860 0.333919 Na\n0.330978 0.330958 0.666945 Na\n0.518668 0.518305 0.121335 Sc\n0.180324 0.180690 0.454224 Sc\n0.850948 0.852896 0.287660 Sc\n0.847422 0.847457 0.787801 Sc\n0.819432 0.819560 0.544867 Sc\n0.518187 0.518028 0.620128 Sc\n0.486587 0.485823 0.877944 Sc\n0.185163 0.183461 0.953619 Sc\n0.813630 0.815905 0.046884 Zn\n0.482791 0.480277 0.379384 Zn\n0.147942 0.148555 0.213798 Zn\n0.148161 0.147994 0.712610 Zn\n0.810374 0.094524 0.153805 Mo\n0.287418 0.713872 0.250383 Mo\n0.236341 0.526037 0.012277 Mo\n0.427645 0.143708 0.320691 Mo\n0.380439 0.954129 0.083755 Mo\n0.477250 0.760094 0.487214 Mo\n0.859658 0.570364 0.178482 Mo\n0.954319 0.380150 0.584371 Mo\n0.902326 0.193616 0.344676 Mo\n0.096279 0.809750 0.655157 Mo\n0.048910 0.618556 0.416185 Mo\n0.143864 0.426701 0.820638 Mo\n0.522926 0.239584 0.511753 Mo\n0.620979 0.046735 0.917641 Mo\n0.568643 0.859941 0.678580 Mo\n0.763128 0.476641 0.988334 Mo\n0.715493 0.285044 0.749512 Mo\n0.189636 0.906239 0.845024 Mo\n0.874570 0.681798 0.121436 O\n0.802189 0.634775 0.001771 O\n0.569562 0.930679 0.065530 O\n0.699075 0.530224 0.165007 O\n0.650740 0.459699 0.045671 O\n0.856114 0.985620 0.088905 O\n0.403380 0.762229 0.101464 O\n0.618858 0.277990 0.147429 O\n0.424276 0.636774 0.308278 O\n0.540160 0.349344 0.454590 O\n0.365661 0.574962 0.191324 O\n0.468462 0.300740 0.334583 O\n0.347093 0.479341 0.077712 O\n0.611234 0.951965 0.314278 O\n0.238020 0.595821 0.398698 O\n0.364082 0.198837 0.498012 O\n0.056945 0.713538 0.018543 O\n0.319061 0.189217 0.255653 O\n0.316629 0.126718 0.378915 O\n0.303064 0.090989 0.141691 O\n0.521678 0.652557 0.422324 O\n0.071633 0.427847 0.434479 O\n0.241540 0.032489 0.024729 O\n0.292472 0.943898 0.480502 O\n0.047914 0.389785 0.184854 O\n0.091466 0.302406 0.641853 O\n0.263724 0.903251 0.232048 O\n0.206944 0.015956 0.787882 O\n0.812945 0.681285 0.244328 O\n0.033635 0.247619 0.525326 O\n0.014500 0.207924 0.287653 O\n0.135356 0.967883 0.668403 O\n0.015792 0.150031 0.408951 O\n0.278434 0.618347 0.648045 O\n0.967547 0.135312 0.167905 O\n0.904401 0.262726 0.732098 O\n0.095765 0.736472 0.268157 O\n0.030798 0.865477 0.831363 O\n0.722009 0.382406 0.351649 O\n0.983733 0.852270 0.591063 O\n0.863868 0.031287 0.331498 O\n0.984329 0.793281 0.712682 O\n0.968410 0.751884 0.475088 O\n0.188475 0.319083 0.755734 O\n0.793038 0.983017 0.211811 O\n0.738267 0.094374 0.767753 O\n0.908611 0.697986 0.357874 O\n0.959210 0.610498 0.813789 O\n0.708058 0.055873 0.518957 O\n0.758135 0.968849 0.975157 O\n0.929184 0.571946 0.565886 O\n0.478093 0.348423 0.577991 O\n0.700318 0.914319 0.858608 O\n0.681776 0.874281 0.620787 O\n0.681748 0.816426 0.742414 O\n0.945023 0.285345 0.981251 O\n0.636186 0.800809 0.501702 O\n0.761941 0.403385 0.601624 O\n0.389379 0.047961 0.685363 O\n0.650293 0.519137 0.924343 O\n0.530294 0.698453 0.665048 O\n0.635146 0.418677 0.808363 O\n0.459348 0.649948 0.545533 O\n0.575176 0.364809 0.691251 O\n0.374786 0.722537 0.852263 O\n0.595834 0.238664 0.899248 O\n0.144619 0.014991 0.911273 O\n0.349003 0.540956 0.954529 O\n0.302845 0.467588 0.835113 O\n0.428627 0.070277 0.934926 O\n0.196601 0.366260 0.998446 O\n0.126159 0.316612 0.878950 O\n",
"nsites": 106,
"nelements": 5,
"elements": [
"Na",
"Sc",
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O-Sc-Zn",
"density": 3.1175944629160552,
"density_atomic": 0.05540202676284167,
"volume": 1913.2874046964391,
"volume_molar": 10.869892514544379,
"formula_full": "Na4 Sc8 Zn4 Mo18 O72",
"formula_reduced": "Na2Sc4Zn2(MoO4)9",
"formula_anonymous": "A2B2C4D9E36",
"energy": -866.8214794699999,
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"updated_at": "2021-11-28T01:36:20.595000Z",
"spacegroup": 1
},
{
"id": "mp-850742",
"created_at": "2022-09-04T14:44:22.011524Z",
"structure_string": "Li2 V6 O2 F22\n1.0\n5.240353 0.000000 0.000000\n0.000000 5.411808 0.000000\n0.000000 2.688695 15.142784\nLi V O F\n2 6 2 22\ndirect\n0.210040 0.966875 0.229915 Li\n0.789960 0.466875 0.229915 Li\n0.718608 0.851671 0.340198 V\n0.249391 0.001321 0.996813 V\n0.250199 0.666590 0.666800 V\n0.281392 0.351671 0.340198 V\n0.750609 0.501321 0.996813 V\n0.749801 0.166590 0.666800 V\n0.452114 0.645550 0.309221 O\n0.547886 0.145550 0.309221 O\n0.443576 0.980694 0.643336 F\n0.556180 0.814217 0.975905 F\n0.944506 0.851747 0.690622 F\n0.335091 0.957822 0.114946 F\n0.336991 0.625027 0.779706 F\n0.671454 0.779232 0.454865 F\n0.166642 0.704175 0.554158 F\n0.840460 0.539281 0.884455 F\n0.856691 0.849026 0.224453 F\n0.556424 0.480694 0.643336 F\n0.443820 0.314217 0.975905 F\n0.952872 0.518717 0.355827 F\n0.053300 0.687167 0.023899 F\n0.055494 0.351747 0.690622 F\n0.664909 0.457822 0.114946 F\n0.663009 0.125027 0.779706 F\n0.328546 0.279232 0.454865 F\n0.833358 0.204175 0.554158 F\n0.159540 0.039281 0.884455 F\n0.143309 0.349026 0.224453 F\n0.047128 0.018717 0.355827 F\n0.946700 0.187167 0.023899 F\n",
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"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.975404825306865,
"density_atomic": 0.07451459196351395,
"volume": 429.44608776316977,
"volume_molar": 8.081827466691006,
"formula_full": "Li2 V6 O2 F22",
"formula_reduced": "LiV3OF11",
"formula_anonymous": "ABC3D11",
"energy": -204.95395405,
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"updated_at": "2021-11-28T01:36:38.175000Z",
"spacegroup": 7
},
{
"id": "mp-695254",
"created_at": "2022-09-04T14:44:22.017107Z",
"structure_string": "Ca10 La6 Mg3 Ti13 O48\n1.0\n-5.495095 0.000000 0.000000\n-0.006802 5.562085 0.000000\n-0.016669 0.070775 -31.189276\nCa La Mg Ti O\n10 6 3 13 48\ndirect\n0.990217 0.037703 0.937858 Ca\n0.515031 0.543635 0.438434 Ca\n0.515240 0.543216 0.187072 Ca\n0.513839 0.541259 0.937955 Ca\n0.487700 0.460710 0.060889 Ca\n0.483061 0.455409 0.814150 Ca\n0.010228 0.961310 0.309819 Ca\n0.008801 0.961764 0.060207 Ca\n0.015865 0.961737 0.814456 Ca\n0.011106 0.962148 0.560101 Ca\n0.990171 0.029750 0.188420 La\n0.993038 0.026935 0.439461 La\n0.994164 0.027871 0.691995 La\n0.508576 0.531832 0.692088 La\n0.487847 0.464913 0.308562 La\n0.489834 0.466898 0.558373 La\n0.498966 0.998967 0.249600 Mg\n0.499135 0.999966 0.499587 Mg\n0.501248 0.000616 0.753411 Mg\n0.002172 0.500019 0.999404 Ti\n0.001176 0.500184 0.498182 Ti\n0.999404 0.490601 0.877225 Ti\n0.493344 0.007167 0.123337 Ti\n0.499609 0.000919 0.998663 Ti\n0.497067 0.998147 0.623602 Ti\n0.493086 0.995757 0.374136 Ti\n0.508044 0.989624 0.873960 Ti\n0.999171 0.506791 0.121974 Ti\n0.001049 0.500689 0.247243 Ti\n0.991813 0.498155 0.374120 Ti\n0.996955 0.499684 0.624759 Ti\n0.999103 0.499863 0.756583 Ti\n0.915232 0.518231 0.062158 O\n0.921763 0.519508 0.313800 O\n0.922458 0.520570 0.563805 O\n0.909993 0.526582 0.814873 O\n0.781360 0.774067 0.134935 O\n0.779583 0.774153 0.386392 O\n0.786779 0.773988 0.489599 O\n0.784310 0.770147 0.738829 O\n0.774396 0.772489 0.636495 O\n0.782930 0.784887 0.887855 O\n0.786872 0.774190 0.239158 O\n0.783402 0.781157 0.989165 O\n0.720680 0.276947 0.135662 O\n0.721615 0.292899 0.238316 O\n0.724171 0.283691 0.386923 O\n0.722305 0.293161 0.488906 O\n0.729326 0.285185 0.739142 O\n0.719868 0.282750 0.989067 O\n0.725841 0.279182 0.636298 O\n0.722802 0.288427 0.888044 O\n0.582628 0.019983 0.061921 O\n0.589110 0.020799 0.315359 O\n0.591021 0.028755 0.817091 O\n0.588487 0.019259 0.565353 O\n0.420678 0.979117 0.434432 O\n0.420811 0.976756 0.183207 O\n0.424535 0.988445 0.685278 O\n0.416978 0.981002 0.939344 O\n0.279777 0.717467 0.011137 O\n0.275265 0.715641 0.112294 O\n0.270145 0.714027 0.260169 O\n0.276749 0.721977 0.363246 O\n0.273670 0.708621 0.760721 O\n0.270551 0.714996 0.510573 O\n0.276877 0.723280 0.613979 O\n0.284102 0.722243 0.864571 O\n0.217930 0.220512 0.011113 O\n0.205681 0.223907 0.261202 O\n0.215290 0.214452 0.112877 O\n0.206289 0.223936 0.511705 O\n0.204896 0.222238 0.761014 O\n0.215139 0.224812 0.864732 O\n0.218217 0.220512 0.363453 O\n0.223589 0.224490 0.613614 O\n0.086804 0.482803 0.186023 O\n0.089409 0.484018 0.436751 O\n0.077711 0.488189 0.685629 O\n0.085910 0.481314 0.938166 O\n",
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"elements": [
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"O"
],
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"density": 4.698632774163271,
"density_atomic": 0.08392123511579311,
"volume": 953.2748164349267,
"volume_molar": 7.175943909417863,
"formula_full": "Ca10 La6 Mg3 Ti13 O48",
"formula_reduced": "Ca10La6Mg3Ti13O48",
"formula_anonymous": "A3B6C10D13E48",
"energy": -682.1573225099999,
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"updated_at": "2021-11-28T01:36:27.532000Z",
"spacegroup": 1
},
{
"id": "mp-1028097",
"created_at": "2022-09-04T14:44:22.079875Z",
"structure_string": "Na1 Mg14 Mn1\n1.0\n6.393571 -0.000000 0.000000\n-3.196786 5.536995 -0.000000\n-0.000000 -0.000000 10.245462\nNa Mg Mn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.166620 0.833309 0.125000 Mg\n0.170065 0.835032 0.625000 Mg\n0.666691 0.333380 0.125000 Mg\n0.664968 0.329935 0.625000 Mg\n0.666691 0.833309 0.125000 Mg\n0.664968 0.835032 0.625000 Mg\n0.331351 0.168649 0.365856 Mg\n0.331351 0.168649 0.884144 Mg\n0.331351 0.662703 0.365856 Mg\n0.331351 0.662703 0.884144 Mg\n0.837297 0.168649 0.365856 Mg\n0.837297 0.168649 0.884144 Mg\n0.833333 0.666667 0.376982 Mg\n0.833333 0.666667 0.873018 Mg\n0.166667 0.333333 0.125000 Mn\n",
"nsites": 16,
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"elements": [
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"Mg",
"Mn"
],
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"density": 1.9146160073124638,
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"volume": 362.70134874378505,
"volume_molar": 13.651491099855768,
"formula_full": "Na1 Mg14 Mn1",
"formula_reduced": "NaMg14Mn",
"formula_anonymous": "ABC14",
"energy": -31.526348,
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"spacegroup": 187
},
{
"id": "mp-1097890",
"created_at": "2022-09-04T14:44:22.080629Z",
"structure_string": "Eu4 Ni4 O10\n1.0\n5.134985 0.012158 -1.605590\n-0.545470 5.358210 -1.752092\n-0.058190 -0.168564 8.660341\nEu Ni O\n4 4 10\ndirect\n0.400122 0.912294 0.783792 Eu\n0.613499 0.087194 0.217274 Eu\n0.897904 0.369676 0.782261 Eu\n0.113129 0.627563 0.216221 Eu\n0.994945 0.998636 0.993307 Ni\n0.500600 0.504719 0.005415 Ni\n0.789899 0.687863 0.499656 Ni\n0.293684 0.318000 0.499708 Ni\n0.764916 0.268825 0.026803 O\n0.738662 0.733764 0.974225 O\n0.264615 0.258835 0.025700 O\n0.237152 0.739883 0.973358 O\n0.839777 0.932450 0.727099 O\n0.116392 0.078145 0.289335 O\n0.328141 0.286841 0.710987 O\n0.610316 0.704187 0.272697 O\n0.163597 0.628998 0.502411 O\n0.645852 0.362125 0.499753 O\n",
"nsites": 18,
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"density": 7.049345770767315,
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"volume": 236.1773292209937,
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"formula_full": "Eu4 Ni4 O10",
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"energy": -152.63683577999998,
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"spacegroup": 8
},
{
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