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{
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{
"id": "mp-556776",
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"structure_string": "Sr4 P8 O24\n1.0\n11.069831 0.000000 0.000000\n0.000000 4.558750 0.000000\n0.000000 0.282656 10.513655\nSr P O\n4 8 24\ndirect\n0.807383 0.031678 0.985349 Sr\n0.192617 0.968322 0.014651 Sr\n0.692617 0.031678 0.485349 Sr\n0.307383 0.968322 0.514651 Sr\n0.349364 0.436553 0.793360 P\n0.650636 0.563447 0.206640 P\n0.986711 0.930892 0.283551 P\n0.013289 0.069108 0.716449 P\n0.849364 0.563447 0.706640 P\n0.486711 0.069108 0.216449 P\n0.513289 0.930892 0.783551 P\n0.150636 0.436553 0.293360 P\n0.890703 0.896798 0.669236 O\n0.484618 0.041954 0.359891 O\n0.515382 0.958046 0.640109 O\n0.249442 0.500637 0.386554 O\n0.015382 0.041954 0.859891 O\n0.378898 0.983832 0.142545 O\n0.749442 0.499363 0.113446 O\n0.027541 0.607280 0.331029 O\n0.109297 0.103202 0.330764 O\n0.750558 0.499363 0.613446 O\n0.327757 0.469023 0.652682 O\n0.984618 0.958046 0.140109 O\n0.827757 0.530977 0.847318 O\n0.621102 0.016168 0.857455 O\n0.609297 0.896798 0.169236 O\n0.472459 0.607280 0.831029 O\n0.878898 0.016168 0.357455 O\n0.672243 0.530977 0.347318 O\n0.390703 0.103202 0.830764 O\n0.972459 0.392720 0.668971 O\n0.250558 0.500637 0.886554 O\n0.527541 0.392720 0.168971 O\n0.121102 0.983832 0.642545 O\n0.172243 0.469023 0.152682 O\n",
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"updated_at": "2021-11-28T01:34:50.295000Z",
"spacegroup": 14
},
{
"id": "mp-1106207",
"created_at": "2022-09-04T14:43:13.172473Z",
"structure_string": "Sr2 P4 O12\n1.0\n5.744125 0.284917 -2.294608\n-1.749646 6.999219 -0.184298\n-1.187582 0.496309 8.019870\nSr P O\n2 4 12\ndirect\n0.678631 0.274245 0.486112 Sr\n0.321369 0.725755 0.513888 Sr\n0.015510 0.757866 0.820694 P\n0.984490 0.242134 0.179306 P\n0.317591 0.228879 0.671975 P\n0.682409 0.771121 0.328025 P\n0.767419 0.794028 0.787666 O\n0.232581 0.205972 0.212334 O\n0.018927 0.682052 0.651724 O\n0.981073 0.317948 0.348276 O\n0.248848 0.783221 0.006571 O\n0.751152 0.216779 0.993429 O\n0.127304 0.209134 0.735537 O\n0.872696 0.790866 0.264463 O\n0.373909 0.061588 0.609257 O\n0.626091 0.938412 0.390743 O\n0.464928 0.414007 0.663708 O\n0.535072 0.585993 0.336292 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "O-P-Sr",
"density": 2.6312812355526685,
"density_atomic": 0.058075922368013705,
"volume": 309.9391153176726,
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"formula_full": "Sr2 P4 O12",
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"updated_at": "2021-11-28T01:36:05.789000Z",
"spacegroup": 2
},
{
"id": "mp-3765",
"created_at": "2022-09-04T14:41:11.285696Z",
"structure_string": "Sr8 P16 O48\n1.0\n8.055077 0.000000 0.000000\n0.000000 7.312516 0.000000\n0.000000 0.172232 17.714777\nSr P O\n8 16 48\ndirect\n0.655882 0.483426 0.327543 Sr\n0.155882 0.516574 0.172457 Sr\n0.344118 0.516574 0.672457 Sr\n0.844118 0.483426 0.827543 Sr\n0.117755 0.019189 0.102628 Sr\n0.617755 0.980811 0.397372 Sr\n0.882245 0.980811 0.897372 Sr\n0.382245 0.019189 0.602628 Sr\n0.790544 0.757338 0.089657 P\n0.290544 0.242662 0.410343 P\n0.209456 0.242662 0.910343 P\n0.709456 0.757338 0.589657 P\n0.802185 0.361542 0.040732 P\n0.302185 0.638458 0.459268 P\n0.197815 0.638458 0.959268 P\n0.697815 0.361542 0.540732 P\n0.514374 0.869558 0.192743 P\n0.014374 0.130442 0.307257 P\n0.485626 0.130442 0.807257 P\n0.985626 0.869558 0.692743 P\n0.517585 0.269721 0.144560 P\n0.017585 0.730279 0.355440 P\n0.482415 0.730279 0.855440 P\n0.982415 0.269721 0.644560 P\n0.340589 0.260991 0.117383 O\n0.840589 0.739009 0.382617 O\n0.659411 0.739009 0.882617 O\n0.159411 0.260991 0.617383 O\n0.566659 0.082928 0.187776 O\n0.066659 0.917072 0.312224 O\n0.433341 0.917072 0.812224 O\n0.933341 0.082928 0.687776 O\n0.563325 0.424464 0.195209 O\n0.063325 0.575536 0.304791 O\n0.436675 0.575536 0.804791 O\n0.936675 0.424464 0.695209 O\n0.337021 0.090316 0.464266 O\n0.837021 0.909684 0.035734 O\n0.662979 0.909684 0.535734 O\n0.162979 0.090316 0.964266 O\n0.911173 0.730196 0.153857 O\n0.944107 0.322470 0.093882 O\n0.411173 0.269804 0.346143 O\n0.588827 0.730196 0.653857 O\n0.633156 0.266044 0.070348 O\n0.133156 0.733956 0.429652 O\n0.366844 0.733956 0.929652 O\n0.866844 0.266044 0.570348 O\n0.168185 0.840377 0.679338 O\n0.668185 0.159623 0.820662 O\n0.831815 0.159623 0.320662 O\n0.331815 0.840377 0.179338 O\n0.910766 0.801826 0.765217 O\n0.410766 0.198174 0.734783 O\n0.089234 0.198174 0.234783 O\n0.589234 0.801826 0.265217 O\n0.895506 0.788804 0.619044 O\n0.395506 0.211196 0.880956 O\n0.104494 0.211196 0.380956 O\n0.604494 0.788804 0.119044 O\n0.681783 0.309759 0.459307 O\n0.181783 0.690241 0.040693 O\n0.318217 0.690241 0.540693 O\n0.818217 0.309759 0.959307 O\n0.741884 0.576398 0.541476 O\n0.241884 0.423602 0.958524 O\n0.258116 0.423602 0.458524 O\n0.758116 0.576398 0.041476 O\n0.555893 0.322470 0.593882 O\n0.055893 0.677530 0.906118 O\n0.444107 0.677530 0.406118 O\n0.088827 0.269804 0.846143 O\n",
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"elements": [
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"density": 3.1263056376841782,
"density_atomic": 0.06900177793982361,
"volume": 1043.4513740035966,
"volume_molar": 8.727515347868144,
"formula_full": "Sr8 P16 O48",
"formula_reduced": "Sr(PO3)2",
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"energy": -553.20054048,
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"energy_uncorrected": -520.22454048,
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{
"id": "mp-555336",
"created_at": "2022-09-04T14:40:34.023167Z",
"structure_string": "Sr8 P16 O48\n1.0\n18.889101 0.000000 0.000000\n0.000000 7.495668 0.000000\n0.000000 0.032931 7.500158\nSr P O\n8 16 48\ndirect\n0.268107 0.001798 0.008075 Sr\n0.768107 0.998202 0.991925 Sr\n0.893424 0.992600 0.490754 Sr\n0.019509 0.491799 0.499297 Sr\n0.644655 0.497551 0.002742 Sr\n0.393424 0.007400 0.509246 Sr\n0.519509 0.508201 0.500703 Sr\n0.144655 0.502449 0.997258 Sr\n0.222227 0.951571 0.513706 P\n0.192732 0.552267 0.513091 P\n0.692732 0.447733 0.486909 P\n0.817219 0.494869 0.945662 P\n0.971470 0.445885 0.016196 P\n0.441377 0.955894 0.990116 P\n0.471470 0.554115 0.983804 P\n0.066668 0.008561 0.550896 P\n0.847831 0.490411 0.546350 P\n0.941377 0.044106 0.009884 P\n0.566668 0.991439 0.449104 P\n0.596804 0.991987 0.050268 P\n0.096804 0.008013 0.949732 P\n0.347831 0.509589 0.453650 P\n0.722227 0.048429 0.486294 P\n0.317219 0.505131 0.054338 P\n0.647125 0.532648 0.345388 O\n0.163445 0.551800 0.327433 O\n0.129291 0.165639 0.041811 O\n0.019409 0.957582 0.025118 O\n0.269726 0.459244 0.523781 O\n0.038199 0.822069 0.547628 O\n0.147125 0.467352 0.654612 O\n0.140251 0.840015 0.953249 O\n0.003199 0.454632 0.833081 O\n0.208951 0.750733 0.581018 O\n0.640251 0.159985 0.046751 O\n0.644250 0.978532 0.538331 O\n0.895770 0.959737 0.151427 O\n0.913060 0.037130 0.823395 O\n0.894648 0.539924 0.024506 O\n0.769726 0.540756 0.476219 O\n0.629291 0.834361 0.958189 O\n0.538199 0.177931 0.452372 O\n0.391583 0.341966 0.460963 O\n0.753196 0.954032 0.328442 O\n0.282733 0.661258 0.962700 O\n0.016373 0.523125 0.162508 O\n0.519409 0.042418 0.974882 O\n0.413060 0.962870 0.176605 O\n0.775013 0.664811 0.944736 O\n0.953966 0.245076 0.075116 O\n0.663445 0.448200 0.672567 O\n0.144250 0.021468 0.461669 O\n0.021105 0.149559 0.465336 O\n0.275013 0.335189 0.055264 O\n0.581041 0.923743 0.249497 O\n0.782733 0.338742 0.037300 O\n0.708951 0.249267 0.418982 O\n0.521105 0.850441 0.534664 O\n0.395770 0.040263 0.848573 O\n0.081041 0.076257 0.750503 O\n0.453966 0.754924 0.924884 O\n0.253196 0.045968 0.671558 O\n0.379081 0.668362 0.545849 O\n0.834540 0.425966 0.748012 O\n0.879081 0.331638 0.454151 O\n0.394648 0.460076 0.975494 O\n0.516373 0.476875 0.837492 O\n0.334540 0.574034 0.251988 O\n0.266043 0.957590 0.346193 O\n0.891583 0.658034 0.539037 O\n0.766043 0.042410 0.653807 O\n0.503199 0.545368 0.166919 O\n",
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"formula_full": "Sr8 P16 O48",
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{
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"structure_string": "Sr4 P4 O16\n1.0\n-6.884542 0.000000 0.000000\n-0.052071 -7.279881 0.000000\n0.858864 1.426338 7.117272\nSr P O\n4 4 16\ndirect\n0.447037 0.304766 0.244631 Sr\n0.552963 0.695234 0.755369 Sr\n0.857609 0.184476 0.689024 Sr\n0.142391 0.815524 0.310976 Sr\n0.623472 0.796155 0.289757 P\n0.376528 0.203845 0.710243 P\n0.949718 0.295355 0.217266 P\n0.050282 0.704645 0.782734 P\n0.804968 0.874840 0.425305 O\n0.195032 0.125160 0.574695 O\n0.506487 0.660675 0.377556 O\n0.493513 0.339325 0.622444 O\n0.683363 0.695957 0.097210 O\n0.316637 0.304043 0.902790 O\n0.485343 0.956875 0.248053 O\n0.514657 0.043125 0.751947 O\n0.072995 0.115367 0.177223 O\n0.927005 0.884633 0.822777 O\n0.814971 0.307902 0.035714 O\n0.185029 0.692098 0.964286 O\n0.097850 0.460466 0.274049 O\n0.902150 0.539534 0.725951 O\n0.816299 0.290685 0.371793 O\n0.183701 0.709315 0.628207 O\n",
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"formula_full": "Sr4 P4 O16",
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{
"id": "mp-569310",
"created_at": "2022-09-04T14:40:41.361520Z",
"structure_string": "Sr1 P2 Os2\n1.0\n-2.041738 2.041738 5.671737\n2.041738 -2.041738 5.671737\n2.041738 2.041738 -5.671737\nSr P Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.351760 0.351760 0.000000 P\n0.648240 0.648240 0.000000 P\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n",
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{
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"created_at": "2022-09-04T14:43:48.282745Z",
"structure_string": "Sr1 P2 Pd2\n1.0\n-2.139840 2.139840 4.911303\n2.139840 -2.139840 4.911303\n2.139840 2.139840 -4.911303\nSr P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.614323 0.614323 0.000000 P\n0.385677 0.385677 0.000000 P\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
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{
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"structure_string": "Sr1 P1 Pt1\n1.0\n2.069106 -3.583797 0.000000\n2.069106 3.583797 0.000000\n0.000000 0.000000 4.524490\nSr P Pt\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 P\n0.000000 0.000000 0.500000 Pt\n",
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"formula_full": "Sr1 P1 Pt1",
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{
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"formula_full": "Sr1 Pr12 Al12 Si18 N36 O18",
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{
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}