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{
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"results": [
{
"id": "mp-1219304",
"created_at": "2022-09-04T14:43:06.454682Z",
"structure_string": "Si6 Ni1 Mo9\n1.0\n-4.800650 4.800650 2.465546\n4.800650 -4.800650 2.465546\n4.800650 4.800650 -2.465546\nSi Ni Mo\n6 1 9\ndirect\n0.610955 0.932046 0.000000 Si\n0.932046 0.610955 0.000000 Si\n0.067954 0.067954 0.678909 Si\n0.389045 0.389045 0.321091 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ni\n0.670630 0.473039 0.646559 Mo\n0.826480 0.024071 0.353441 Mo\n0.173520 0.526961 0.197591 Mo\n0.329370 0.975929 0.802409 Mo\n0.975929 0.329370 0.802409 Mo\n0.526961 0.173520 0.197591 Mo\n0.024071 0.826480 0.353441 Mo\n0.473039 0.670630 0.646559 Mo\n0.500000 0.500000 0.000000 Mo\n",
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"spacegroup": 121
},
{
"id": "mp-1094502",
"created_at": "2022-09-04T14:43:06.458364Z",
"structure_string": "Mg4 Ti2\n1.0\n1.500201 -8.077701 0.000000\n1.500201 8.077701 0.000000\n0.000000 0.000000 5.083847\nMg Ti\n4 2\ndirect\n0.555206 0.444794 0.250000 Mg\n0.222349 0.777651 0.250000 Mg\n0.777651 0.222349 0.750000 Mg\n0.444794 0.555206 0.750000 Mg\n0.891936 0.108064 0.250000 Ti\n0.108064 0.891936 0.750000 Ti\n",
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"formula_full": "Mg4 Ti2",
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{
"id": "mp-1197989",
"created_at": "2022-09-04T14:43:06.459060Z",
"structure_string": "Rb8 H8 S8 O32\n1.0\n4.654576 0.000000 0.000000\n0.000000 14.687324 0.000000\n0.000000 7.764102 13.041564\nRb H S O\n8 8 8 32\ndirect\n0.573343 0.716361 0.872717 Rb\n0.426657 0.716361 0.372717 Rb\n0.134811 0.966813 0.951898 Rb\n0.865189 0.966813 0.451898 Rb\n0.590006 0.212467 0.622349 Rb\n0.409994 0.212467 0.122349 Rb\n0.020946 0.466356 0.701408 Rb\n0.979054 0.466356 0.201408 Rb\n0.035864 0.714162 0.676047 H\n0.964136 0.714162 0.176047 H\n0.568582 0.467273 0.900013 H\n0.431418 0.467273 0.400013 H\n0.585774 0.957882 0.144825 H\n0.414226 0.957882 0.644825 H\n0.968930 0.218873 0.924063 H\n0.031070 0.218873 0.424063 H\n0.531973 0.718743 0.115496 S\n0.468027 0.718743 0.615496 S\n0.007424 0.463025 0.958591 S\n0.992576 0.463025 0.458591 S\n0.025735 0.964285 0.714496 S\n0.974265 0.964285 0.214496 S\n0.542554 0.212989 0.867451 S\n0.457446 0.212989 0.367451 S\n0.764671 0.684487 0.204225 O\n0.235329 0.684487 0.704225 O\n0.284575 0.754279 0.151618 O\n0.715425 0.754279 0.651618 O\n0.656529 0.805117 0.020592 O\n0.343471 0.805117 0.520592 O\n0.468938 0.623615 0.110481 O\n0.531062 0.623615 0.610481 O\n0.113007 0.060366 0.714240 O\n0.886993 0.060366 0.214240 O\n0.730329 0.969172 0.679049 O\n0.269671 0.969172 0.179049 O\n0.090546 0.867666 0.812259 O\n0.909454 0.867666 0.312259 O\n0.205634 0.958914 0.627386 O\n0.794366 0.958914 0.127386 O\n0.763864 0.502098 0.872224 O\n0.236136 0.502098 0.372224 O\n0.244836 0.426911 0.918827 O\n0.755164 0.426911 0.418827 O\n0.884916 0.376317 0.053883 O\n0.115084 0.376317 0.553883 O\n0.084107 0.556318 0.964836 O\n0.915893 0.556318 0.464836 O\n0.665155 0.125032 0.860137 O\n0.334845 0.125032 0.360137 O\n0.284967 0.180522 0.933871 O\n0.715033 0.180522 0.433871 O\n0.497887 0.308787 0.767263 O\n0.502113 0.308787 0.267263 O\n0.765791 0.242568 0.928456 O\n0.234209 0.242568 0.428456 O\n",
"nsites": 56,
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"elements": [
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],
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"density_atomic": 0.06281097699923704,
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"formula_full": "Rb8 H8 S8 O32",
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"energy": -335.97182028,
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"updated_at": "2021-11-28T01:35:58.089000Z",
"spacegroup": 7
},
{
"id": "mp-1199841",
"created_at": "2022-09-04T14:43:06.465085Z",
"structure_string": "Dy12 In4 S24\n1.0\n3.855886 0.000000 0.000000\n0.000000 13.428205 0.000000\n0.000000 0.000000 16.643373\nDy In S\n12 4 24\ndirect\n0.254072 0.036563 0.776668 Dy\n0.254072 0.963437 0.223332 Dy\n0.745928 0.463437 0.276668 Dy\n0.745928 0.536563 0.723332 Dy\n0.263278 0.246423 0.610193 Dy\n0.263278 0.753577 0.389807 Dy\n0.736722 0.253577 0.110193 Dy\n0.736722 0.746423 0.889807 Dy\n0.747268 0.309037 0.856506 Dy\n0.747268 0.690963 0.143494 Dy\n0.252732 0.190963 0.356506 Dy\n0.252732 0.809037 0.643494 Dy\n0.754586 0.000000 0.500000 In\n0.245414 0.500000 0.000000 In\n0.392037 0.500000 0.500000 In\n0.607963 0.000000 0.000000 In\n0.768741 0.396580 0.593391 S\n0.768741 0.603420 0.406609 S\n0.231259 0.103420 0.093391 S\n0.231259 0.896580 0.906609 S\n0.245961 0.306734 0.980605 S\n0.245961 0.693266 0.019395 S\n0.754039 0.193266 0.480605 S\n0.754039 0.806734 0.519395 S\n0.752363 0.108081 0.884358 S\n0.752363 0.891919 0.115642 S\n0.247637 0.391919 0.384358 S\n0.247637 0.608081 0.615642 S\n0.758931 0.178882 0.716926 S\n0.758931 0.821118 0.283074 S\n0.241069 0.321118 0.216926 S\n0.241069 0.678882 0.783074 S\n0.248618 0.385252 0.756341 S\n0.248618 0.614748 0.243659 S\n0.751382 0.114748 0.256341 S\n0.751382 0.885252 0.743659 S\n0.254145 0.020812 0.605865 S\n0.254145 0.979188 0.394135 S\n0.745855 0.479188 0.105865 S\n0.745855 0.520812 0.894135 S\n",
"nsites": 40,
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"elements": [
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"In",
"S"
],
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"density": 6.125382016290877,
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"volume": 861.754370277556,
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"formula_full": "Dy12 In4 S24",
"formula_reduced": "Dy3InS6",
"formula_anonymous": "AB3C6",
"energy": -244.72063004,
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"updated_at": "2021-11-28T01:35:58.477000Z",
"spacegroup": 18
},
{
"id": "mp-1192417",
"created_at": "2022-09-04T14:43:06.466222Z",
"structure_string": "Ba4 Ge4 Pb4 O16\n1.0\n6.293047 0.000000 0.000000\n0.000000 7.748322 0.000000\n0.000000 0.000000 10.367067\nBa Ge Pb O\n4 4 4 16\ndirect\n0.478755 0.751062 0.788557 Ba\n0.978755 0.748938 0.211443 Ba\n0.021245 0.248938 0.288557 Ba\n0.521245 0.251062 0.711443 Ba\n0.518438 0.959867 0.089902 Ge\n0.018438 0.540133 0.910098 Ge\n0.981562 0.040133 0.589902 Ge\n0.481562 0.459867 0.410098 Ge\n0.431893 0.949537 0.407720 Pb\n0.931893 0.550463 0.592280 Pb\n0.068107 0.050463 0.907720 Pb\n0.568107 0.449537 0.092280 Pb\n0.438290 0.054805 0.939945 O\n0.938290 0.445195 0.060055 O\n0.061710 0.945195 0.439945 O\n0.561710 0.554805 0.560055 O\n0.744468 0.047594 0.165192 O\n0.244468 0.452406 0.834808 O\n0.755532 0.952406 0.665192 O\n0.255532 0.547594 0.334808 O\n0.582161 0.738830 0.054642 O\n0.082161 0.761170 0.945358 O\n0.917839 0.261170 0.554642 O\n0.417839 0.238830 0.445358 O\n0.297995 0.985755 0.198272 O\n0.797995 0.514245 0.801728 O\n0.202005 0.014245 0.698272 O\n0.702005 0.485755 0.301728 O\n",
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"elements": [
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"Ge",
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"O"
],
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"volume": 505.5039356362808,
"volume_molar": 10.87219948262737,
"formula_full": "Ba4 Ge4 Pb4 O16",
"formula_reduced": "BaGePbO4",
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"spacegroup": 19
},
{
"id": "mp-777575",
"created_at": "2022-09-04T14:43:06.481403Z",
"structure_string": "Li2 V6 O2 F22\n1.0\n5.282646 0.000000 0.000000\n-0.029309 5.464964 0.000000\n-0.047800 -2.608812 15.353565\nLi V O F\n2 6 2 22\ndirect\n0.811807 0.633775 0.825047 Li\n0.450116 0.141660 0.105359 Li\n0.514964 0.542645 0.005678 V\n0.497341 0.831907 0.662878 V\n0.001322 0.666264 0.332948 V\n0.000798 0.326268 0.659265 V\n0.500861 0.167269 0.336481 V\n0.993595 0.007735 0.991619 V\n0.686477 0.805636 0.027936 O\n0.917937 0.947517 0.887105 O\n0.798663 0.973717 0.356045 F\n0.300230 0.861048 0.310938 F\n0.592277 0.788805 0.552633 F\n0.914286 0.625224 0.222291 F\n0.430592 0.858123 0.776294 F\n0.082199 0.707777 0.444631 F\n0.407510 0.511262 0.116089 F\n0.795154 0.639811 0.690285 F\n0.701044 0.471721 0.356818 F\n0.781781 0.307780 0.030899 F\n0.205959 0.681402 0.975242 F\n0.303833 0.521034 0.639822 F\n0.204540 0.360335 0.311693 F\n0.910953 0.294847 0.547416 F\n0.582060 0.127306 0.222382 F\n0.596048 0.460807 0.888688 F\n0.065945 0.390890 0.777414 F\n0.416103 0.202827 0.446720 F\n0.119940 0.024819 0.109118 F\n0.697042 0.137410 0.685801 F\n0.309742 0.199036 0.979711 F\n0.199751 0.016562 0.642612 F\n",
"nsites": 32,
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"elements": [
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"formula_full": "Li2 V6 O2 F22",
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"updated_at": "2021-11-28T01:36:01.921000Z",
"spacegroup": 1
},
{
"id": "mp-1101824",
"created_at": "2022-09-04T14:43:07.007322Z",
"structure_string": "Pr4 Ga4 Pt4\n1.0\n4.524907 0.000000 0.000000\n0.000000 7.181071 0.000000\n0.000000 0.000000 7.957978\nPr Ga Pt\n4 4 4\ndirect\n0.250000 0.027950 0.689684 Pr\n0.250000 0.527950 0.810316 Pr\n0.750000 0.972050 0.310316 Pr\n0.750000 0.472050 0.189684 Pr\n0.250000 0.156859 0.068107 Ga\n0.250000 0.656859 0.431893 Ga\n0.750000 0.843141 0.931893 Ga\n0.750000 0.343141 0.568107 Ga\n0.250000 0.279665 0.391958 Pt\n0.250000 0.779665 0.108042 Pt\n0.750000 0.720335 0.608042 Pt\n0.750000 0.220335 0.891958 Pt\n",
"nsites": 12,
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"elements": [
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"Ga",
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],
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"density": 10.421450409948504,
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"volume": 258.58397812796375,
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"formula_full": "Pr4 Ga4 Pt4",
"formula_reduced": "PrGaPt",
"formula_anonymous": "ABC",
"energy": -67.55470068,
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"updated_at": "2021-11-28T01:35:55.146000Z",
"spacegroup": 62
},
{
"id": "mp-572877",
"created_at": "2022-09-04T14:43:06.485358Z",
"structure_string": "Co10 Se8 Cl4 O24\n1.0\n6.287560 -0.018650 1.936163\n0.557449 14.350205 -1.533012\n0.049289 -0.007998 8.009635\nCo Se Cl O\n10 8 4 24\ndirect\n0.999991 0.499993 0.500008 Co\n0.111953 0.848531 0.284495 Co\n0.887919 0.151477 0.715566 Co\n0.680309 0.563394 0.906719 Co\n0.319700 0.436586 0.093264 Co\n0.999966 0.000050 0.999958 Co\n0.112358 0.348554 0.784432 Co\n0.887619 0.651412 0.215576 Co\n0.680226 0.063571 0.406881 Co\n0.320048 0.936309 0.593088 Co\n0.652266 0.345850 0.670204 Se\n0.652019 0.845850 0.170202 Se\n0.347903 0.154121 0.829825 Se\n0.347689 0.654138 0.329794 Se\n0.787378 0.419239 0.197325 Se\n0.787393 0.919332 0.697205 Se\n0.212793 0.080687 0.302822 Se\n0.212624 0.580744 0.802670 Se\n0.176756 0.344433 0.350379 Cl\n0.176526 0.844453 0.850076 Cl\n0.823288 0.155541 0.149760 Cl\n0.823228 0.655574 0.649608 Cl\n0.583680 0.150627 0.657700 O\n0.583466 0.650471 0.157670 O\n0.416496 0.349537 0.842341 O\n0.416287 0.849409 0.342387 O\n0.833853 0.023197 0.812638 O\n0.833888 0.523145 0.312640 O\n0.166100 0.476837 0.687372 O\n0.166212 0.976821 0.187397 O\n0.963760 0.098608 0.460067 O\n0.963635 0.598531 0.960030 O\n0.036359 0.401481 0.039952 O\n0.036330 0.901476 0.539867 O\n0.832425 0.293047 0.756743 O\n0.832196 0.792971 0.256614 O\n0.167707 0.207006 0.743434 O\n0.167550 0.706953 0.243243 O\n0.262201 0.040863 0.816830 O\n0.262042 0.540858 0.317012 O\n0.737950 0.459133 0.682991 O\n0.737821 0.959097 0.183042 O\n0.359953 0.048862 0.434821 O\n0.360100 0.548901 0.934411 O\n0.639887 0.451106 0.065612 O\n0.640155 0.951223 0.565331 O\n",
"nsites": 46,
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],
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"formula_full": "Co10 Se8 Cl4 O24",
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"energy": -285.15918888,
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},
{
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