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{
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"results": [
{
"id": "mp-1233137",
"created_at": "2022-09-04T14:42:52.308955Z",
"structure_string": "Mg1 V8 O8 F8\n1.0\n-4.917079 0.208970 0.011440\n-0.188013 4.851427 -9.479230\n0.221118 -4.768547 -3.119412\nMg V O F\n1 8 8 8\ndirect\n0.016392 0.368708 0.902811 Mg\n0.481531 0.251530 0.744375 V\n0.475861 0.990402 0.499755 V\n0.529095 0.743184 0.236469 V\n0.511860 0.507042 0.991895 V\n0.918483 0.203419 0.316038 V\n0.033391 0.767722 0.729213 V\n0.028313 0.511600 0.461065 V\n0.990772 0.997936 0.996371 V\n0.764242 0.052954 0.279676 O\n0.693891 0.812951 0.515341 O\n0.719194 0.570684 0.261582 O\n0.697555 0.327492 0.058500 O\n0.305257 0.435247 0.714527 O\n0.319528 0.673081 0.965661 O\n0.280810 0.164197 0.467847 O\n0.195678 0.923667 0.720779 O\n0.839454 0.556204 0.770309 F\n0.834603 0.331465 0.563808 F\n0.808695 0.818236 0.015356 F\n0.682337 0.075925 0.763180 F\n0.298189 0.910783 0.222001 F\n0.212487 0.679022 0.451278 F\n0.159590 0.187356 0.955743 F\n0.202790 0.432943 0.194041 F\n",
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{
"id": "mp-1218802",
"created_at": "2022-09-04T14:42:52.312188Z",
"structure_string": "Sr2 Ca4 Lu20 O36\n1.0\n3.305930 0.000000 0.000000\n0.019702 17.428107 0.000000\n0.023515 8.702557 15.101488\nSr Ca Lu O\n2 4 20 36\ndirect\n0.463725 0.666752 0.659705 Sr\n0.965588 0.338574 0.331316 Sr\n0.751036 0.327405 0.668989 Ca\n0.750933 0.002059 0.326798 Ca\n0.751542 0.670362 0.002413 Ca\n0.251385 0.673183 0.328144 Ca\n0.240962 0.896795 0.552345 Lu\n0.242057 0.550826 0.895629 Lu\n0.242423 0.553106 0.548454 Lu\n0.744161 0.103332 0.446849 Lu\n0.741931 0.450188 0.102480 Lu\n0.743734 0.447656 0.450659 Lu\n0.250665 0.230309 0.882148 Lu\n0.251539 0.884523 0.231342 Lu\n0.251152 0.881503 0.887903 Lu\n0.751642 0.767873 0.117143 Lu\n0.750740 0.114956 0.768067 Lu\n0.751013 0.116169 0.115964 Lu\n0.251183 0.996988 0.674803 Lu\n0.250818 0.327500 0.997565 Lu\n0.258665 0.563952 0.220320 Lu\n0.260064 0.217398 0.561787 Lu\n0.259142 0.221001 0.217512 Lu\n0.758481 0.436137 0.779334 Lu\n0.758299 0.784484 0.435144 Lu\n0.756458 0.779512 0.783644 Lu\n0.253212 0.886157 0.364352 O\n0.253192 0.754727 0.884407 O\n0.254372 0.359485 0.754818 O\n0.751832 0.105882 0.638823 O\n0.751162 0.256025 0.106021 O\n0.753641 0.635280 0.249685 O\n0.251574 0.217118 0.688359 O\n0.251285 0.095556 0.217781 O\n0.252183 0.686998 0.091370 O\n0.751934 0.779415 0.313193 O\n0.751986 0.913341 0.771063 O\n0.752311 0.314770 0.913262 O\n0.250867 0.024594 0.807161 O\n0.251273 0.169153 0.024633 O\n0.250975 0.817224 0.156358 O\n0.751166 0.975065 0.181264 O\n0.750732 0.846697 0.972859 O\n0.751195 0.177711 0.848273 O\n0.244422 0.361439 0.178107 O\n0.249379 0.456175 0.362606 O\n0.245500 0.178693 0.460085 O\n0.744997 0.637876 0.820139 O\n0.747492 0.541290 0.640003 O\n0.745570 0.820468 0.543522 O\n0.256696 0.694558 0.507669 O\n0.256859 0.809430 0.693826 O\n0.257792 0.496814 0.808635 O\n0.758940 0.303985 0.498679 O\n0.757649 0.197808 0.304569 O\n0.758147 0.494023 0.199133 O\n0.247334 0.549648 0.023415 O\n0.248581 0.421777 0.552491 O\n0.248184 0.025043 0.426172 O\n0.750274 0.438281 0.976753 O\n0.747843 0.576882 0.449999 O\n0.750113 0.978067 0.584061 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
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"Ca",
"Lu",
"O"
],
"chemical_system": "Ca-Lu-O-Sr",
"density": 8.418016679904714,
"density_atomic": 0.07125708898188995,
"volume": 870.0888695545415,
"volume_molar": 8.451286526075368,
"formula_full": "Sr2 Ca4 Lu20 O36",
"formula_reduced": "SrCa2Lu10O18",
"formula_anonymous": "AB2C10D18",
"energy": -520.90244627,
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"updated_at": "2021-11-28T01:35:53.797000Z",
"spacegroup": 1
},
{
"id": "mp-1041038",
"created_at": "2022-09-04T14:42:52.317124Z",
"structure_string": "Zn4 Co8 P8 O36\n1.0\n6.182161 0.000000 0.000000\n0.057364 7.176658 0.000000\n0.030868 0.169660 14.320762\nZn Co P O\n4 8 8 36\ndirect\n0.250584 0.102993 0.772238 Zn\n0.250883 0.400563 0.277792 Zn\n0.749117 0.599437 0.722208 Zn\n0.749416 0.897007 0.227762 Zn\n0.248484 0.648179 0.879681 Co\n0.751516 0.351821 0.120319 Co\n0.750138 0.149716 0.621803 Co\n0.249862 0.850284 0.378197 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.747082 0.635649 0.929010 P\n0.252918 0.364351 0.070990 P\n0.250265 0.136284 0.568681 P\n0.749735 0.863716 0.431319 P\n0.249510 0.613366 0.697662 P\n0.249685 0.882904 0.198955 P\n0.750315 0.117096 0.801045 P\n0.750490 0.386634 0.302338 P\n0.964425 0.392736 0.361240 O\n0.463363 0.606362 0.638378 O\n0.036630 0.897985 0.140271 O\n0.536454 0.103657 0.859277 O\n0.035575 0.607264 0.638760 O\n0.536637 0.393638 0.361622 O\n0.963370 0.102015 0.859729 O\n0.463546 0.896343 0.140723 O\n0.749473 0.665643 0.480345 O\n0.250527 0.334357 0.519655 O\n0.257385 0.170943 0.021483 O\n0.742615 0.829057 0.978517 O\n0.264192 0.867070 0.955545 O\n0.735808 0.132930 0.044455 O\n0.750545 0.361184 0.544869 O\n0.249455 0.638816 0.455131 O\n0.248649 0.796553 0.756333 O\n0.751351 0.203447 0.243667 O\n0.749986 0.302158 0.742425 O\n0.250014 0.697842 0.257575 O\n0.559868 0.867996 0.360589 O\n0.059702 0.132828 0.639329 O\n0.440047 0.373411 0.142167 O\n0.941989 0.633089 0.860637 O\n0.440132 0.132004 0.639411 O\n0.940298 0.867172 0.360671 O\n0.559953 0.626589 0.857833 O\n0.058011 0.366911 0.139363 O\n0.248389 0.517763 0.999034 O\n0.750997 0.961126 0.725060 O\n0.751190 0.548687 0.228925 O\n0.248810 0.451313 0.771075 O\n0.250534 0.987553 0.497297 O\n0.749466 0.012447 0.502703 O\n0.751611 0.482237 0.000966 O\n0.249003 0.038874 0.274940 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Zn",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Zn",
"density": 4.068860255636957,
"density_atomic": 0.08813721800030917,
"volume": 635.372902282933,
"volume_molar": 6.83268759399562,
"formula_full": "Zn4 Co8 P8 O36",
"formula_reduced": "ZnCo2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -393.78363885,
"energy_per_atom": -7.03185069375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:49.521000Z",
"spacegroup": 2
},
{
"id": "mp-1093608",
"created_at": "2022-09-04T14:42:52.323832Z",
"structure_string": "La2 Ga1 Cu1\n1.0\n-5.347984 7.314074 10.245096\n5.347984 -7.314074 10.245096\n5.347984 7.314074 -10.245096\nLa Ga Cu\n2 1 1\ndirect\n0.000000 0.243737 0.243737 La\n0.000000 0.756263 0.756263 La\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
],
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"density": 0.4258433886661904,
"density_atomic": 0.0024953675230656304,
"volume": 1602.9702891563988,
"volume_molar": 241.33281788494338,
"formula_full": "La2 Ga1 Cu1",
"formula_reduced": "La2GaCu",
"formula_anonymous": "ABC2",
"energy": -9.58233865,
"energy_per_atom": -2.3955846625,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:55.104000Z",
"spacegroup": 71
},
{
"id": "mp-850936",
"created_at": "2022-09-04T14:42:52.329344Z",
"structure_string": "Ni6 O1 F11\n1.0\n3.310347 4.555357 0.000000\n-3.310347 4.555357 0.000000\n0.000000 2.769109 6.817681\nNi O F\n6 1 11\ndirect\n0.666864 0.655512 0.838942 Ni\n0.669769 0.665975 0.333305 Ni\n0.334025 0.330231 0.666695 Ni\n0.344488 0.333136 0.161058 Ni\n0.000871 0.999129 0.500000 Ni\n0.992665 0.007335 0.000000 Ni\n0.691388 0.308612 0.000000 O\n0.637423 0.022604 0.670661 F\n0.977396 0.362577 0.329339 F\n0.898322 0.900764 0.297903 F\n0.564248 0.564654 0.631071 F\n0.230610 0.234313 0.964357 F\n0.099236 0.101678 0.702097 F\n0.765687 0.769390 0.035643 F\n0.435346 0.435752 0.368929 F\n0.365428 0.970097 0.332824 F\n0.029903 0.634572 0.667176 F\n0.296330 0.703670 0.000000 F\n",
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"elements": [
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"density": 4.660895265721987,
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"volume": 205.61870067809633,
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"formula_full": "Ni6 O1 F11",
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},
{
"id": "mp-976281",
"created_at": "2022-09-04T14:42:52.336062Z",
"structure_string": "Li3 Pd1\n1.0\n-1.980736 1.980736 3.788518\n1.980736 -1.980736 3.788518\n1.980736 1.980736 -3.788518\nLi Pd\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Pd\n",
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"elements": [
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"formula_full": "Li3 Pd1",
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"spacegroup": 139
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{
"id": "mp-1349242",
"created_at": "2022-09-04T14:42:52.342786Z",
"structure_string": "Cr16 O32\n1.0\n5.805225 0.114046 0.004469\n3.001380 5.198503 -0.000028\n11.757799 7.074258 18.894661\nCr O\n16 32\ndirect\n0.488609 0.488332 0.126144 Cr\n0.482868 0.490539 0.259019 Cr\n0.488600 0.018482 0.126144 Cr\n0.127799 0.117731 0.534182 Cr\n0.499435 0.495845 0.376251 Cr\n0.858118 0.880500 0.220222 Cr\n0.128105 0.129526 0.778213 Cr\n0.499437 0.999726 0.376249 Cr\n0.502648 0.500577 0.624152 Cr\n0.878211 0.876841 0.467029 Cr\n0.502651 0.000126 0.624152 Cr\n0.495028 0.018866 0.871666 Cr\n0.495015 0.499454 0.871669 Cr\n0.874941 0.878381 0.717064 Cr\n0.492650 0.494018 0.004834 Cr\n0.856076 0.878757 0.971610 Cr\n0.296460 0.252398 0.061551 O\n0.290420 0.246770 0.179010 O\n0.296469 0.704968 0.061553 O\n0.717606 0.256927 0.067132 O\n0.257704 0.745776 0.187691 O\n0.290176 0.250292 0.314385 O\n0.719494 0.257157 0.191566 O\n0.271313 0.233286 0.440525 O\n0.290158 0.702005 0.314391 O\n0.717418 0.758502 0.066390 O\n0.710265 0.254789 0.320042 O\n0.719484 0.757116 0.191568 O\n0.252912 0.228542 0.563223 O\n0.250442 0.757935 0.433424 O\n0.756355 0.218380 0.437639 O\n0.273717 0.245362 0.683885 O\n0.252904 0.765641 0.563224 O\n0.725064 0.753027 0.317217 O\n0.742917 0.243978 0.567274 O\n0.756368 0.774727 0.437634 O\n0.263005 0.755581 0.681450 O\n0.254680 0.224729 0.809643 O\n0.751867 0.230433 0.686554 O\n0.283019 0.271341 0.918576 O\n0.254673 0.782026 0.809645 O\n0.736229 0.759242 0.561310 O\n0.748943 0.246470 0.814536 O\n0.751849 0.771422 0.686562 O\n0.262617 0.750268 0.934208 O\n0.717429 0.259766 0.938787 O\n0.728050 0.762707 0.811635 O\n0.717434 0.767673 0.938790 O\n",
"nsites": 48,
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"elements": [
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"formula_full": "Cr16 O32",
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{
"id": "mp-1105323",
"created_at": "2022-09-04T14:42:52.349972Z",
"structure_string": "Li2 Nd2 Ti4 O12\n1.0\n-5.515257 0.000000 -0.041227\n-0.041506 0.000000 -5.444485\n0.000000 -7.716165 0.000000\nLi Nd Ti O\n2 2 4 12\ndirect\n0.167796 0.851637 0.500000 Li\n0.870810 0.296686 0.500000 Li\n0.787197 0.266951 0.000000 Nd\n0.272454 0.753136 0.000000 Nd\n0.269302 0.267021 0.738281 Ti\n0.269302 0.267021 0.261719 Ti\n0.754600 0.771331 0.731321 Ti\n0.754600 0.771331 0.268679 Ti\n0.456249 0.967983 0.725374 O\n0.456249 0.967983 0.274626 O\n0.514592 0.481898 0.804421 O\n0.514592 0.481898 0.195579 O\n0.961591 0.033267 0.703605 O\n0.961591 0.033267 0.296395 O\n0.014299 0.522799 0.798661 O\n0.014299 0.522799 0.201339 O\n0.222999 0.179143 0.000000 O\n0.244861 0.333737 0.500000 O\n0.750616 0.832332 0.000000 O\n0.772003 0.656077 0.500000 O\n",
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"volume": 231.68574652553423,
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"formula_full": "Li2 Nd2 Ti4 O12",
"formula_reduced": "LiNdTi2O6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-1079699",
"created_at": "2022-09-04T14:42:52.352866Z",
"structure_string": "Pr3 Al3 Ni3\n1.0\n3.540040 -6.131529 0.000000\n3.540040 6.131529 0.000000\n0.000000 0.000000 4.078504\nPr Al Ni\n3 3 3\ndirect\n0.000000 0.418952 0.500000 Pr\n0.581048 0.581048 0.500000 Pr\n0.418952 0.000000 0.500000 Pr\n0.000000 0.773481 0.000000 Al\n0.226519 0.226519 0.000000 Al\n0.773481 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
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"elements": [
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}