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{
"id": "mp-1177208",
"created_at": "2022-09-04T14:47:03.759399Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.750169 0.000000 0.000000\n-4.841855 8.496300 0.000000\n-0.044473 -0.228016 14.238122\nLi V P O\n8 6 16 58\ndirect\n0.776647 0.082511 0.442301 Li\n0.672103 0.326887 0.104384 Li\n0.767562 0.682075 0.934243 Li\n0.089101 0.318015 0.565182 Li\n0.911136 0.682518 0.439521 Li\n0.232130 0.328941 0.059309 Li\n0.222967 0.916059 0.561787 Li\n0.002393 0.999523 0.994076 Li\n0.996516 0.432284 0.755306 V\n0.003366 0.571000 0.246919 V\n0.429656 0.429778 0.256244 V\n0.564227 0.567250 0.744991 V\n0.439554 0.005005 0.760310 V\n0.562711 0.992727 0.243117 V\n0.302364 0.084028 0.161427 P\n0.312458 0.222759 0.664519 P\n0.767399 0.087169 0.657032 P\n0.667377 0.339376 0.870413 P\n0.670154 0.332171 0.368095 P\n0.911571 0.218460 0.161324 P\n0.084909 0.320088 0.343766 P\n0.766523 0.676931 0.153139 P\n0.232809 0.319397 0.844806 P\n0.911600 0.678466 0.657675 P\n0.084690 0.782070 0.839234 P\n0.328901 0.668377 0.632687 P\n0.332424 0.659985 0.130131 P\n0.233001 0.915763 0.343835 P\n0.690117 0.775341 0.334615 P\n0.701766 0.918863 0.838725 P\n0.247901 0.990257 0.437002 O\n0.340013 0.079803 0.664114 O\n0.225194 0.245200 0.936661 O\n0.341114 0.260595 0.164774 O\n0.467508 0.090826 0.167929 O\n0.512721 0.190454 0.828578 O\n0.617426 0.096729 0.684173 O\n0.805548 0.998391 0.920847 O\n0.738344 0.078121 0.163269 O\n0.521857 0.338133 0.322542 O\n0.475109 0.377709 0.678567 O\n0.664743 0.182802 0.320464 O\n0.660714 0.340867 0.975530 O\n0.661841 0.323316 0.471885 O\n0.806791 0.326969 0.829799 O\n0.617342 0.515117 0.171155 O\n0.671238 0.491016 0.831465 O\n0.915553 0.252634 0.663744 O\n0.984031 0.200154 0.260485 O\n0.006342 0.250505 0.434617 O\n0.006320 0.204000 0.084191 O\n0.898422 0.369588 0.166643 O\n0.816993 0.483781 0.332010 O\n0.092953 0.350022 0.830409 O\n0.902410 0.519909 0.677797 O\n0.742414 0.654932 0.666242 O\n0.216419 0.201001 0.760726 O\n0.221971 0.227604 0.582092 O\n0.780972 0.773186 0.417155 O\n0.253635 0.340833 0.334989 O\n0.095080 0.478493 0.321872 O\n0.909863 0.649849 0.166882 O\n0.181325 0.517679 0.668031 O\n0.078774 0.623279 0.835043 O\n0.996773 0.808431 0.916555 O\n0.991495 0.749124 0.566863 O\n0.011565 0.801027 0.740084 O\n0.083690 0.750624 0.335492 O\n0.332582 0.511917 0.175082 O\n0.387960 0.474610 0.826196 O\n0.192254 0.669598 0.172309 O\n0.341517 0.651887 0.026643 O\n0.338065 0.677593 0.528669 O\n0.336944 0.818243 0.680262 O\n0.527665 0.621116 0.320526 O\n0.476809 0.660086 0.677467 O\n0.259946 0.918039 0.834885 O\n0.216461 0.017257 0.260701 O\n0.199015 0.000442 0.080240 O\n0.382534 0.905577 0.315358 O\n0.485038 0.811459 0.174036 O\n0.543280 0.924543 0.832476 O\n0.658258 0.742034 0.833555 O\n0.772153 0.750959 0.062035 O\n0.782723 0.794857 0.237720 O\n0.663075 0.919747 0.335267 O\n0.751941 0.009020 0.564687 O\n0.788152 0.987846 0.740259 O\n",
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"elements": [
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"density_atomic": 0.07460844357025403,
"volume": 1179.4911646580053,
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"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -669.7296432500001,
"energy_per_atom": -7.61056412784091,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:50.995000Z",
"spacegroup": 1
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{
"id": "mp-1245485",
"created_at": "2022-09-04T14:47:03.906249Z",
"structure_string": "Mg4 Os2 N6\n1.0\n5.875248 -0.038841 0.000000\n-2.969977 5.145644 0.000000\n0.000000 0.000000 5.205942\nMg Os N\n4 2 6\ndirect\n0.326187 0.339309 0.480592 Mg\n0.673813 0.013122 0.480592 Mg\n0.673813 0.660691 0.980592 Mg\n0.326187 0.986878 0.980592 Mg\n0.000000 0.691646 0.491255 Os\n0.000000 0.308354 0.991255 Os\n0.314389 0.325656 0.888329 N\n0.685611 0.011266 0.888329 N\n0.685611 0.674344 0.388329 N\n0.314389 0.988734 0.388329 N\n0.000000 0.619920 0.858904 N\n0.000000 0.380080 0.358904 N\n",
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"elements": [
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"density_atomic": 0.07653785748599456,
"volume": 156.78515696883525,
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"formula_full": "Mg4 Os2 N6",
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"updated_at": "2021-11-28T01:37:52.639000Z",
"spacegroup": 36
},
{
"id": "mp-639774",
"created_at": "2022-09-04T14:47:03.918638Z",
"structure_string": "Sr1\n1.0\n3.851356 0.000000 0.000000\n0.000000 3.851356 0.000000\n0.000000 0.000000 3.851356\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
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"updated_at": "2021-11-28T01:37:54.881000Z",
"spacegroup": 221
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{
"id": "mp-1183462",
"created_at": "2022-09-04T14:47:03.926654Z",
"structure_string": "Ca1 Au3\n1.0\n0.000000 3.474510 3.474510\n3.474510 0.000000 3.474510\n3.474510 3.474510 0.000000\nCa Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n0.500000 0.500000 0.500000 Au\n",
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"density": 12.489711865416401,
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"volume": 83.8900964183497,
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"formula_full": "Ca1 Au3",
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"energy": -13.92438353,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:57.621000Z",
"spacegroup": 225
},
{
"id": "mp-1517680",
"created_at": "2022-09-04T14:47:03.969598Z",
"structure_string": "K1 Nd1 Dy1 Sb1 O6\n1.0\n-0.000000 -4.173271 -4.173271\n4.173271 0.000000 -4.173271\n4.173271 -4.173271 0.000000\nK Nd Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n-0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737566 0.262434 0.262434 O\n0.262434 0.737566 0.737566 O\n0.737566 0.262434 0.737566 O\n0.262434 0.737566 0.262434 O\n0.737566 0.737566 0.262434 O\n0.262434 0.262434 0.737566 O\n",
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"volume": 145.36496832140952,
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{
"id": "mp-1251151",
"created_at": "2022-09-04T14:47:03.970727Z",
"structure_string": "Ca4 Al2 Sn2 O10\n1.0\n5.697201 0.000000 0.000000\n-0.117624 6.088331 0.000000\n-2.673648 -3.039779 7.414496\nCa Al Sn O\n4 2 2 10\ndirect\n0.081370 0.654330 0.237164 Ca\n0.426602 0.924689 0.763446 Ca\n0.899774 0.334320 0.760461 Ca\n0.656528 0.073285 0.243284 Ca\n0.281489 0.331722 0.509897 Al\n0.776648 0.661659 0.494098 Al\n0.500521 0.501853 0.000034 Sn\n0.024897 0.001900 0.005261 Sn\n0.587766 0.411506 0.494436 O\n0.094560 0.577773 0.509875 O\n0.666841 0.709705 0.290335 O\n0.324661 0.282880 0.712112 O\n0.110223 0.068785 0.331599 O\n0.775700 0.925797 0.670256 O\n0.349446 0.799189 0.974359 O\n0.195395 0.369065 0.030327 O\n0.683067 0.222540 0.033988 O\n0.802289 0.644528 0.965559 O\n",
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"formula_full": "Ca4 Al2 Sn2 O10",
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{
"id": "mp-1223557",
"created_at": "2022-09-04T14:47:10.234740Z",
"structure_string": "K1 U2 Sb1 Se8\n1.0\n5.814919 4.107476 0.000000\n-5.814919 4.107476 0.000000\n0.000000 2.054231 7.475831\nK U Sb Se\n1 2 1 8\ndirect\n0.116176 0.116176 0.535487 K\n0.499703 0.999839 0.999562 U\n0.999839 0.499703 0.999562 U\n0.574967 0.574967 0.695143 Sb\n0.080570 0.797544 0.227997 Se\n0.797544 0.080570 0.227997 Se\n0.773766 0.773766 0.907658 Se\n0.270776 0.270776 0.909842 Se\n0.596352 0.294070 0.231600 Se\n0.294070 0.596352 0.231600 Se\n0.809582 0.323621 0.733515 Se\n0.323621 0.809582 0.733515 Se\n",
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{
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{
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