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{
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{
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{
"id": "mp-1486",
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"structure_string": "Zn1 Ni1\n1.0\n2.889128 0.000000 0.000000\n0.000000 2.889128 0.000000\n0.000000 0.000000 2.889128\nZn Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ni\n",
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"updated_at": "2021-11-28T01:36:30.114000Z",
"spacegroup": 221
},
{
"id": "mp-11532",
"created_at": "2022-09-04T14:44:29.004767Z",
"structure_string": "Zn22 Ni4\n1.0\n-4.482149 4.482149 4.482149\n4.482149 -4.482149 4.482149\n4.482149 4.482149 -4.482149\nZn Ni\n22 4\ndirect\n0.210177 0.000000 0.000000 Zn\n0.000000 0.210177 0.000000 Zn\n0.000000 0.000000 0.210177 Zn\n0.789823 0.789823 0.789823 Zn\n0.000000 0.644079 0.644079 Zn\n0.355921 0.000000 0.355921 Zn\n0.355921 0.355921 0.000000 Zn\n0.000000 0.355921 0.355921 Zn\n0.644079 0.000000 0.644079 Zn\n0.644079 0.644079 0.000000 Zn\n0.351262 0.736666 0.000000 Zn\n0.614596 0.263334 0.263334 Zn\n0.351262 0.000000 0.736666 Zn\n0.736666 0.351262 0.000000 Zn\n0.000000 0.351262 0.736666 Zn\n0.263334 0.614596 0.263334 Zn\n0.263334 0.263334 0.614596 Zn\n0.000000 0.736666 0.351262 Zn\n0.736666 0.000000 0.351262 Zn\n0.648738 0.648738 0.385404 Zn\n0.385404 0.648738 0.648738 Zn\n0.648738 0.385404 0.648738 Zn\n0.658414 0.000000 0.000000 Ni\n0.000000 0.658414 0.000000 Ni\n0.000000 0.000000 0.658414 Ni\n0.341586 0.341586 0.341586 Ni\n",
"nsites": 26,
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"elements": [
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"formula_full": "Zn22 Ni4",
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"updated_at": "2021-11-28T01:36:39.707000Z",
"spacegroup": 217
},
{
"id": "mp-971941",
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"structure_string": "Zn3 Ni1\n1.0\n-1.828351 1.828351 3.946885\n1.828351 -1.828351 3.946885\n1.828351 1.828351 -3.946885\nZn Ni\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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"formula_full": "Zn3 Ni1",
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"energy": -10.23584621,
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"spacegroup": 139
},
{
"id": "mp-971758",
"created_at": "2022-09-04T14:43:10.565113Z",
"structure_string": "Zn1 Ni3\n1.0\n3.569054 0.000000 0.000000\n0.000000 3.569054 0.000000\n0.000000 0.000000 3.569054\nZn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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"elements": [
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"volume": 45.46313255750377,
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"formula_full": "Zn1 Ni3",
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"formula_anonymous": "AB3",
"energy": -19.05404747,
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"updated_at": "2021-11-28T01:36:04.342000Z",
"spacegroup": 221
},
{
"id": "mp-971804",
"created_at": "2022-09-04T14:43:49.340578Z",
"structure_string": "Zn1 Ni3\n1.0\n-1.804664 1.804664 3.506548\n1.804664 -1.804664 3.506548\n1.804664 1.804664 -3.506548\nZn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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"updated_at": "2021-11-28T01:36:24.445000Z",
"spacegroup": 139
},
{
"id": "mp-581951",
"created_at": "2022-09-04T14:46:07.806336Z",
"structure_string": "Zn106 Ni32\n1.0\n4.444767 -6.261910 0.000000\n4.444767 6.261910 0.000000\n0.000000 0.000000 33.326978\nZn Ni\n106 32\ndirect\n0.265026 0.913572 0.222842 Zn\n0.919660 0.275268 0.601553 Zn\n0.534453 0.534453 0.076396 Zn\n0.974690 0.974690 0.113696 Zn\n0.288496 0.930785 0.708184 Zn\n0.951892 0.951892 0.346388 Zn\n0.960581 0.960581 0.728158 Zn\n0.566377 0.194738 0.476563 Zn\n0.401138 0.160587 0.280282 Zn\n0.188387 0.412102 0.654011 Zn\n0.083702 0.727558 0.914216 Zn\n0.694738 0.066377 0.023437 Zn\n0.000000 0.000000 0.500000 Zn\n0.442142 0.812873 0.157344 Zn\n0.569215 0.211504 0.208184 Zn\n0.634915 0.885442 0.091737 Zn\n0.034453 0.034453 0.423604 Zn\n0.580340 0.224732 0.101553 Zn\n0.086428 0.734974 0.777158 Zn\n0.272442 0.916298 0.085784 Zn\n0.933623 0.305262 0.976563 Zn\n0.449681 0.449681 0.535992 Zn\n0.048108 0.048108 0.653612 Zn\n0.772442 0.416298 0.414216 Zn\n0.539419 0.539419 0.228158 Zn\n0.775268 0.419660 0.898447 Zn\n0.930785 0.288496 0.708184 Zn\n0.949681 0.949681 0.964008 Zn\n0.660587 0.901138 0.219718 Zn\n0.187127 0.557858 0.842656 Zn\n0.550319 0.550319 0.464008 Zn\n0.114558 0.365085 0.908263 Zn\n0.557858 0.187127 0.842656 Zn\n0.084973 0.318435 0.531850 Zn\n0.584973 0.818435 0.968150 Zn\n0.788496 0.430785 0.791816 Zn\n0.412102 0.188387 0.654011 Zn\n0.365085 0.114558 0.908263 Zn\n0.486952 0.486952 0.309421 Zn\n0.598862 0.839413 0.719718 Zn\n0.181565 0.415027 0.031850 Zn\n0.687127 0.057858 0.657344 Zn\n0.734974 0.086428 0.777158 Zn\n0.915027 0.681565 0.468150 Zn\n0.583702 0.227558 0.585784 Zn\n0.433623 0.805262 0.523437 Zn\n0.160587 0.401138 0.280282 Zn\n0.451892 0.451892 0.153612 Zn\n0.460581 0.460581 0.771842 Zn\n0.586428 0.234974 0.722842 Zn\n0.688387 0.912102 0.845989 Zn\n0.419660 0.775268 0.898447 Zn\n0.013048 0.013048 0.809421 Zn\n0.227558 0.583702 0.585784 Zn\n0.057858 0.687127 0.657344 Zn\n0.986952 0.986952 0.190579 Zn\n0.912102 0.688387 0.845989 Zn\n0.587898 0.811613 0.345989 Zn\n0.087898 0.311613 0.154011 Zn\n0.039419 0.039419 0.271842 Zn\n0.234974 0.586428 0.722842 Zn\n0.098862 0.339413 0.780282 Zn\n0.312873 0.942142 0.342656 Zn\n0.942142 0.312873 0.342656 Zn\n0.965547 0.965547 0.576396 Zn\n0.025310 0.025310 0.886304 Zn\n0.211504 0.569215 0.208184 Zn\n0.513048 0.513048 0.690579 Zn\n0.430785 0.788496 0.791816 Zn\n0.913572 0.265026 0.222842 Zn\n0.050319 0.050319 0.035992 Zn\n0.765026 0.413572 0.277158 Zn\n0.385442 0.134915 0.408263 Zn\n0.548108 0.548108 0.846388 Zn\n0.711504 0.069215 0.291816 Zn\n0.134915 0.385442 0.408263 Zn\n0.318435 0.084973 0.531850 Zn\n0.275268 0.919660 0.601553 Zn\n0.066377 0.694738 0.023437 Zn\n0.080340 0.724732 0.398447 Zn\n0.224732 0.580340 0.101553 Zn\n0.681565 0.915027 0.468150 Zn\n0.465547 0.465547 0.923604 Zn\n0.069215 0.711504 0.291816 Zn\n0.805262 0.433623 0.523437 Zn\n0.614558 0.865085 0.591737 Zn\n0.311613 0.087898 0.154011 Zn\n0.865085 0.614558 0.591737 Zn\n0.415027 0.181565 0.031850 Zn\n0.525310 0.525310 0.613696 Zn\n0.500000 0.500000 0.000000 Zn\n0.901138 0.660587 0.219718 Zn\n0.339413 0.098862 0.780282 Zn\n0.916298 0.272442 0.085784 Zn\n0.885442 0.634915 0.091737 Zn\n0.413572 0.765026 0.277158 Zn\n0.474690 0.474690 0.386304 Zn\n0.812873 0.442142 0.157344 Zn\n0.818435 0.584973 0.968150 Zn\n0.727558 0.083702 0.914216 Zn\n0.839413 0.598862 0.719718 Zn\n0.416298 0.772442 0.414216 Zn\n0.194738 0.566377 0.476563 Zn\n0.305262 0.933623 0.976563 Zn\n0.724732 0.080340 0.398447 Zn\n0.811613 0.587898 0.345989 Zn\n0.744183 0.744183 0.781423 Ni\n0.733472 0.733472 0.156191 Ni\n0.591468 0.241000 0.965232 Ni\n0.768334 0.768334 0.030341 Ni\n0.241000 0.591468 0.965232 Ni\n0.259000 0.908532 0.465232 Ni\n0.253917 0.253917 0.092384 Ni\n0.266528 0.266528 0.843809 Ni\n0.268334 0.268334 0.469659 Ni\n0.255817 0.255817 0.218577 Ni\n0.231666 0.231666 0.969659 Ni\n0.094960 0.741355 0.154683 Ni\n0.766528 0.766528 0.656191 Ni\n0.258645 0.905040 0.845317 Ni\n0.244183 0.244183 0.718577 Ni\n0.741355 0.094960 0.154683 Ni\n0.405040 0.758645 0.654683 Ni\n0.731666 0.731666 0.530341 Ni\n0.908532 0.259000 0.465232 Ni\n0.758645 0.405040 0.654683 Ni\n0.746083 0.746083 0.907616 Ni\n0.741000 0.091468 0.534768 Ni\n0.905040 0.258645 0.845317 Ni\n0.246083 0.246083 0.592384 Ni\n0.241355 0.594960 0.345317 Ni\n0.759000 0.408532 0.034768 Ni\n0.755817 0.755817 0.281423 Ni\n0.091468 0.741000 0.534768 Ni\n0.233472 0.233472 0.343809 Ni\n0.594960 0.241355 0.345317 Ni\n0.753917 0.753917 0.407616 Ni\n0.408532 0.759000 0.034768 Ni\n",
"nsites": 138,
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"formula_full": "Zn106 Ni32",
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"updated_at": "2021-11-28T01:37:28.032000Z",
"spacegroup": 64
},
{
"id": "mp-1187948",
"created_at": "2022-09-04T14:42:07.552250Z",
"structure_string": "Zn6 Ni2\n1.0\n2.661743 -4.610275 0.000000\n2.661743 4.610275 0.000000\n0.000000 0.000000 4.285566\nZn Ni\n6 2\ndirect\n0.829605 0.170395 0.750000 Zn\n0.340790 0.170395 0.750000 Zn\n0.829605 0.659210 0.750000 Zn\n0.170395 0.829605 0.250000 Zn\n0.659210 0.829605 0.250000 Zn\n0.170395 0.340790 0.250000 Zn\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n",
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{
"id": "mp-1245255",
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"elements": [
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],
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"density_atomic": 0.07370815933029803,
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"formula_full": "Zn40 O40",
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"total_magnetization": 6.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.567000Z",
"spacegroup": 1
},
{
"id": "mp-1094003",
"created_at": "2022-09-04T14:41:21.705608Z",
"structure_string": "Zn1 O2\n1.0\n1.567383 -2.714788 0.000000\n1.567383 2.714788 0.000000\n0.000000 0.000000 4.048627\nZn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.767990 O\n0.333333 0.666667 0.232010 O\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:35:18.721000Z",
"spacegroup": 164
},
{
"id": "mp-1245109",
"created_at": "2022-09-04T14:42:48.654292Z",
"structure_string": "Zn40 O40\n1.0\n9.921700 0.495703 -0.269929\n0.495414 10.124096 -0.012965\n-0.268144 -0.022147 10.567464\nZn O\n40 40\ndirect\n0.061952 0.735133 0.751989 Zn\n0.742600 0.462470 0.216272 Zn\n0.588037 0.486269 0.453914 Zn\n0.113700 0.797338 0.503230 Zn\n0.233105 0.782179 0.194715 Zn\n0.264080 0.981426 0.665872 Zn\n0.216612 0.430934 0.964904 Zn\n0.224089 0.540841 0.282633 Zn\n0.085231 0.254787 0.559493 Zn\n0.662846 0.266139 0.713993 Zn\n0.644472 0.045100 0.341356 Zn\n0.282011 0.547214 0.538991 Zn\n0.431381 0.003814 0.185691 Zn\n0.713964 0.784221 0.842838 Zn\n0.958436 0.570016 0.111367 Zn\n0.449108 0.773859 0.398044 Zn\n0.802846 0.007537 0.018334 Zn\n0.941314 0.385050 0.736997 Zn\n0.672584 0.474478 0.951788 Zn\n0.872383 0.791011 0.263137 Zn\n0.976966 0.043066 0.766503 Zn\n0.968479 0.096117 0.255491 Zn\n0.947868 0.276109 0.992023 Zn\n0.333919 0.836510 0.923127 Zn\n0.352538 0.279904 0.745558 Zn\n0.606719 0.780253 0.111156 Zn\n0.193068 0.084220 0.055424 Zn\n0.654051 0.576787 0.691905 Zn\n0.403915 0.597559 0.774805 Zn\n0.789761 0.191736 0.497724 Zn\n0.117507 0.315173 0.290414 Zn\n0.027515 0.839126 0.006202 Zn\n0.426224 0.269675 0.456512 Zn\n0.449945 0.283521 0.144103 Zn\n0.450416 0.563350 0.140629 Zn\n0.533271 0.997226 0.624949 Zn\n0.936856 0.532858 0.444558 Zn\n0.795407 0.837470 0.539524 Zn\n0.268127 0.045046 0.393886 Zn\n0.498786 0.044113 0.900790 Zn\n0.844608 0.433158 0.056052 O\n0.533003 0.149034 0.753884 O\n0.413406 0.913676 0.782650 O\n0.916939 0.197234 0.646978 O\n0.582231 0.410732 0.104597 O\n0.268046 0.175122 0.622709 O\n0.067309 0.207544 0.139166 O\n0.392702 0.125754 0.037541 O\n0.648172 0.914093 0.975835 O\n0.918927 0.791801 0.854952 O\n0.081394 0.919015 0.647288 O\n0.274094 0.399167 0.422206 O\n0.389635 0.930114 0.504299 O\n0.707628 0.748882 0.661663 O\n0.299569 0.436783 0.134957 O\n0.032605 0.495832 0.282799 O\n0.603138 0.296524 0.530746 O\n0.236240 0.714934 0.383051 O\n0.570744 0.883891 0.272937 O\n0.477262 0.565538 0.596181 O\n0.244304 0.968467 0.220625 O\n0.459962 0.165136 0.301912 O\n0.579567 0.638163 0.871799 O\n0.793773 0.147393 0.319544 O\n0.402850 0.749243 0.078446 O\n0.927735 0.931462 0.156543 O\n0.029914 0.445709 0.590498 O\n0.070028 0.357126 0.881280 O\n0.745319 0.416894 0.777203 O\n0.775036 0.672452 0.159993 O\n0.489930 0.602651 0.321594 O\n0.768292 0.463974 0.394545 O\n0.109393 0.678209 0.092669 O\n0.876490 0.121399 0.907261 O\n0.221594 0.663501 0.680302 O\n0.099503 0.155954 0.396194 O\n0.157726 0.948001 0.928804 O\n0.695446 0.008196 0.529151 O\n0.930902 0.747492 0.438387 O\n0.364863 0.427628 0.848071 O\n",
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"volume": 1058.1571115126565,
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}
]
}