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{
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"results": [
{
"id": "mp-1221260",
"created_at": "2022-09-04T14:43:36.340187Z",
"structure_string": "Na4 Al1 Cr3 P8 O28\n1.0\n7.327794 0.000000 0.000000\n-0.014720 7.952548 0.000000\n-3.503501 -0.020813 8.888345\nNa Al Cr P O\n4 1 3 8 28\ndirect\n0.709508 0.521658 0.704962 Na\n0.290588 0.021596 0.794862 Na\n0.291050 0.478650 0.294954 Na\n0.709303 0.978057 0.204772 Na\n0.261560 0.009674 0.248987 Al\n0.738982 0.506435 0.252342 Cr\n0.738757 0.993582 0.752654 Cr\n0.261379 0.493517 0.747680 Cr\n0.673375 0.289376 0.955909 P\n0.326827 0.791817 0.541839 P\n0.327076 0.713084 0.046777 P\n0.669428 0.208402 0.453358 P\n0.078054 0.241434 0.956743 P\n0.924154 0.744109 0.545829 P\n0.927342 0.758266 0.047847 P\n0.076260 0.252747 0.451723 P\n0.882316 0.345073 0.945853 O\n0.119740 0.846313 0.556006 O\n0.119452 0.652357 0.055740 O\n0.877547 0.151596 0.440885 O\n0.685541 0.298440 0.118723 O\n0.311771 0.809523 0.378827 O\n0.314938 0.704446 0.883467 O\n0.684959 0.200139 0.617035 O\n0.636135 0.105385 0.902306 O\n0.362632 0.606928 0.594212 O\n0.359191 0.895698 0.105299 O\n0.635373 0.392869 0.400759 O\n0.011434 0.083483 0.858160 O\n0.988825 0.583731 0.641351 O\n0.000801 0.916747 0.144630 O\n0.012414 0.414447 0.358321 O\n0.194312 0.202175 0.121783 O\n0.805463 0.711713 0.379742 O\n0.806929 0.790279 0.881949 O\n0.195626 0.285698 0.618189 O\n0.190486 0.362543 0.896218 O\n0.811709 0.863462 0.606564 O\n0.813039 0.639216 0.108058 O\n0.184526 0.133313 0.386347 O\n0.537408 0.415236 0.847627 O\n0.463574 0.915369 0.652376 O\n0.463945 0.586153 0.152616 O\n0.526269 0.085265 0.345716 O\n",
"nsites": 44,
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"Al",
"Cr",
"P",
"O"
],
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"density": 3.1119647020208405,
"density_atomic": 0.08494781687532993,
"volume": 517.9650474664315,
"volume_molar": 7.089223692279392,
"formula_full": "Na4 Al1 Cr3 P8 O28",
"formula_reduced": "Na4AlCr3(P2O7)4",
"formula_anonymous": "AB3C4D8E28",
"energy": -339.25055219,
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"updated_at": "2021-11-28T01:36:17.072000Z",
"spacegroup": 1
},
{
"id": "mp-1175323",
"created_at": "2022-09-04T14:43:52.541184Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.958565 0.071005 -0.385797\n-0.161708 9.745879 2.988092\n2.708614 0.145571 14.971492\nLi Mn O\n14 10 24\ndirect\n0.999999 0.000001 0.333317 Li\n0.499998 0.000004 0.833332 Li\n0.490202 0.241393 0.328322 Li\n0.990179 0.241378 0.828323 Li\n0.509787 0.758593 0.338340 Li\n0.009829 0.758625 0.838346 Li\n0.998053 0.746329 0.167455 Li\n0.498040 0.746322 0.667460 Li\n0.001942 0.253654 0.499223 Li\n0.501951 0.253677 0.999214 Li\n0.010043 0.242412 0.172642 Li\n0.510046 0.242387 0.672651 Li\n0.989953 0.757574 0.494025 Li\n0.489953 0.757617 0.994016 Li\n0.000143 0.500073 0.333296 Mn\n0.008805 0.996242 0.996374 Mn\n0.991053 0.003750 0.670297 Mn\n0.001423 0.501566 0.999979 Mn\n0.998609 0.498431 0.666686 Mn\n0.499995 0.500024 0.833296 Mn\n0.508794 0.996234 0.496355 Mn\n0.491020 0.003748 0.170334 Mn\n0.501391 0.501550 0.499980 Mn\n0.498567 0.498418 0.166690 Mn\n0.034743 0.107575 0.431381 O\n0.534718 0.107616 0.931407 O\n0.965280 0.892392 0.235275 O\n0.465296 0.892391 0.735254 O\n0.460995 0.617873 0.247044 O\n0.961001 0.617869 0.747038 O\n0.539061 0.382149 0.419625 O\n0.039069 0.382154 0.919626 O\n0.014674 0.105130 0.090510 O\n0.514694 0.105108 0.590475 O\n0.485324 0.894875 0.076193 O\n0.985349 0.894847 0.576159 O\n0.491109 0.117536 0.242487 O\n0.991096 0.117517 0.742465 O\n0.508919 0.882464 0.424180 O\n0.008915 0.882496 0.924197 O\n0.961583 0.616658 0.082383 O\n0.461588 0.616661 0.582374 O\n0.538393 0.383362 0.084320 O\n0.038402 0.383362 0.584314 O\n0.963682 0.619938 0.412953 O\n0.463671 0.619945 0.912956 O\n0.036325 0.380042 0.253714 O\n0.536341 0.380038 0.753710 O\n",
"nsites": 48,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.877416398710023,
"density_atomic": 0.10876012752917308,
"volume": 441.33820997152475,
"volume_molar": 5.537085048364495,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
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"updated_at": "2021-11-28T01:36:21.829000Z",
"spacegroup": 2
},
{
"id": "mp-1175321",
"created_at": "2022-09-04T14:43:33.572667Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.631140 5.266149 -1.255239\n0.028451 -0.233758 7.771153\n8.212149 -5.111991 -3.147393\nLi Mn O\n14 10 24\ndirect\n0.583290 0.333495 0.250210 Li\n0.083410 0.333119 0.749749 Li\n0.083418 0.333446 0.250165 Li\n0.583220 0.333195 0.749818 Li\n0.833333 0.333331 0.999996 Li\n0.333322 0.333312 0.500015 Li\n0.416953 0.663415 0.248072 Li\n0.916978 0.663354 0.747798 Li\n0.749688 0.003292 0.252207 Li\n0.249714 0.003306 0.751932 Li\n0.917115 0.659780 0.244517 Li\n0.417084 0.659630 0.744114 Li\n0.249582 0.007010 0.255897 Li\n0.749576 0.006943 0.755507 Li\n0.333332 0.333331 0.999999 Mn\n0.494141 0.006528 0.504216 Mn\n0.172531 0.660171 0.495784 Mn\n0.000708 0.005043 0.501596 Mn\n0.665992 0.661646 0.498389 Mn\n0.833345 0.333315 0.500019 Mn\n0.994058 0.006557 0.004168 Mn\n0.672630 0.660110 0.995830 Mn\n0.500711 0.005123 0.001610 Mn\n0.165958 0.661547 0.998392 Mn\n0.147972 0.491277 0.107268 O\n0.647928 0.491272 0.607374 O\n0.018730 0.175413 0.392606 O\n0.518708 0.175385 0.892722 O\n0.947170 0.839030 0.118698 O\n0.447525 0.839266 0.618886 O\n0.218932 0.827251 0.381053 O\n0.719470 0.827611 0.881280 O\n0.611916 0.501853 0.112162 O\n0.111924 0.501928 0.612221 O\n0.554774 0.164793 0.387774 O\n0.054743 0.164811 0.887847 O\n0.456245 0.823172 0.106651 O\n0.956019 0.823320 0.606824 O\n0.710790 0.843189 0.393108 O\n0.210444 0.843485 0.893342 O\n0.278123 0.177450 0.121262 O\n0.778704 0.177779 0.621418 O\n0.888156 0.488997 0.378648 O\n0.388582 0.489246 0.878749 O\n0.782356 0.148942 0.112245 O\n0.281978 0.149256 0.612449 O\n0.384434 0.517533 0.387648 O\n0.884290 0.517742 0.887768 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8823309014913283,
"density_atomic": 0.10889797755462176,
"volume": 440.7795358359511,
"volume_molar": 5.530075851940753,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.25732991,
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"updated_at": "2021-11-28T01:36:31.088000Z",
"spacegroup": 2
},
{
"id": "mp-1211700",
"created_at": "2022-09-04T14:46:26.049255Z",
"structure_string": "K12 Nd4 B8 O24\n1.0\n7.252218 0.000000 0.000000\n0.000000 9.156663 0.000000\n0.000000 0.000000 11.339340\nK Nd B O\n12 4 8 24\ndirect\n0.250000 0.938970 0.130417 K\n0.750000 0.061030 0.869583 K\n0.750000 0.561030 0.630417 K\n0.250000 0.438970 0.369583 K\n0.504255 0.699539 0.902396 K\n0.495745 0.300461 0.097604 K\n0.495745 0.800461 0.402396 K\n0.004255 0.300461 0.097604 K\n0.504255 0.199539 0.597604 K\n0.995745 0.699539 0.902396 K\n0.995745 0.199539 0.597604 K\n0.004255 0.800461 0.402396 K\n0.250000 0.874001 0.668690 Nd\n0.750000 0.125999 0.331310 Nd\n0.750000 0.625999 0.168690 Nd\n0.250000 0.374001 0.831310 Nd\n0.250000 0.562117 0.625904 B\n0.750000 0.437883 0.374096 B\n0.750000 0.937883 0.125904 B\n0.250000 0.062117 0.874096 B\n0.250000 0.589432 0.116835 B\n0.750000 0.410568 0.883165 B\n0.750000 0.910568 0.616835 B\n0.250000 0.089432 0.383165 B\n0.082827 0.628442 0.169588 O\n0.917173 0.371558 0.830412 O\n0.917173 0.871558 0.669588 O\n0.582827 0.371558 0.830412 O\n0.082827 0.128442 0.330412 O\n0.417173 0.628442 0.169588 O\n0.417173 0.128442 0.330412 O\n0.582827 0.871558 0.669588 O\n0.250000 0.509101 0.011555 O\n0.750000 0.490899 0.988445 O\n0.750000 0.990899 0.511555 O\n0.250000 0.009101 0.488445 O\n0.250000 0.621029 0.741472 O\n0.750000 0.378971 0.258528 O\n0.750000 0.878971 0.241472 O\n0.250000 0.121029 0.758528 O\n0.250000 0.659526 0.532842 O\n0.750000 0.340474 0.467158 O\n0.750000 0.840474 0.032842 O\n0.250000 0.159526 0.967158 O\n0.250000 0.912196 0.885325 O\n0.750000 0.087804 0.114675 O\n0.750000 0.587804 0.385325 O\n0.250000 0.412196 0.614675 O\n",
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],
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"formula_full": "K12 Nd4 B8 O24",
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},
{
"id": "mp-695831",
"created_at": "2022-09-04T14:44:00.556312Z",
"structure_string": "Ca4 H16 N24 O8\n1.0\n6.181345 0.000000 0.000000\n0.000000 7.939714 0.000000\n0.000000 4.645947 11.242937\nCa H N O\n4 16 24 8\ndirect\n0.250515 0.322307 0.487616 Ca\n0.249485 0.322307 0.987616 Ca\n0.749485 0.677693 0.512384 Ca\n0.750515 0.677693 0.012384 Ca\n0.301281 0.576644 0.620863 H\n0.198719 0.576644 0.120863 H\n0.698719 0.423356 0.379137 H\n0.801281 0.423356 0.879137 H\n0.451943 0.411645 0.696401 H\n0.048057 0.411645 0.196401 H\n0.548057 0.588355 0.303599 H\n0.951943 0.588355 0.803599 H\n0.971557 0.314168 0.689657 H\n0.528443 0.314168 0.189657 H\n0.028443 0.685832 0.310343 H\n0.471557 0.685832 0.810343 H\n0.799468 0.277444 0.606400 H\n0.700532 0.277444 0.106400 H\n0.200532 0.722556 0.393600 H\n0.299468 0.722556 0.893600 H\n0.930450 0.299921 0.354236 N\n0.569550 0.299921 0.854236 N\n0.069550 0.700079 0.645764 N\n0.430450 0.700079 0.145764 N\n0.581717 0.140142 0.598831 N\n0.918283 0.140142 0.098831 N\n0.418283 0.859858 0.401169 N\n0.081717 0.859858 0.901169 N\n0.899740 0.141608 0.373734 N\n0.600260 0.141608 0.873734 N\n0.100260 0.858392 0.626266 N\n0.399740 0.858392 0.126266 N\n0.596352 0.979841 0.629796 N\n0.903648 0.979841 0.129796 N\n0.403648 0.020159 0.370204 N\n0.096352 0.020159 0.870204 N\n0.874910 0.987740 0.391145 N\n0.625090 0.987740 0.891145 N\n0.125090 0.012260 0.608855 N\n0.374910 0.012260 0.108855 N\n0.608093 0.819403 0.660540 N\n0.891907 0.819403 0.160540 N\n0.391907 0.180597 0.339460 N\n0.108093 0.180597 0.839460 N\n0.412243 0.489253 0.613144 O\n0.087757 0.489253 0.113144 O\n0.587757 0.510747 0.386856 O\n0.912243 0.510747 0.886856 O\n0.912379 0.368006 0.607761 O\n0.587621 0.368006 0.107761 O\n0.087621 0.631994 0.392239 O\n0.412379 0.631994 0.892239 O\n",
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],
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"formula_full": "Ca4 H16 N24 O8",
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"energy": -339.27007093000003,
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"updated_at": "2021-11-28T01:36:36.544000Z",
"spacegroup": 14
},
{
"id": "mp-684059",
"created_at": "2022-09-04T14:46:56.152756Z",
"structure_string": "Li2 Ti2 P10 O30\n1.0\n9.623925 0.000000 0.000000\n0.000000 5.250541 0.000000\n0.000000 4.107922 12.477003\nLi Ti P O\n2 2 10 30\ndirect\n0.583878 0.052605 0.570740 Li\n0.416122 0.052605 0.070740 Li\n0.992066 0.010114 0.992916 Ti\n0.007934 0.010114 0.492916 Ti\n0.016410 0.014735 0.744092 P\n0.813617 0.420482 0.085118 P\n0.485224 0.513239 0.862887 P\n0.186383 0.420482 0.585118 P\n0.983590 0.014735 0.244092 P\n0.485113 0.475257 0.645401 P\n0.820236 0.600031 0.407214 P\n0.179764 0.600031 0.907214 P\n0.514776 0.513239 0.362887 P\n0.514887 0.475257 0.145401 P\n0.938930 0.050667 0.839855 O\n0.584907 0.483876 0.254591 O\n0.415093 0.483876 0.754591 O\n0.121866 0.740615 0.985092 O\n0.888100 0.277320 0.200668 O\n0.594741 0.268603 0.659573 O\n0.115179 0.758416 0.789356 O\n0.597240 0.712416 0.841935 O\n0.405259 0.268603 0.159573 O\n0.866434 0.276300 0.007465 O\n0.500983 0.748301 0.570180 O\n0.133636 0.308184 0.935494 O\n0.853141 0.715668 0.053089 O\n0.499017 0.748301 0.070180 O\n0.402760 0.712416 0.341935 O\n0.339963 0.348393 0.604491 O\n0.884821 0.758416 0.289356 O\n0.111900 0.277320 0.700668 O\n0.058047 0.976084 0.148149 O\n0.335030 0.656689 0.896060 O\n0.878134 0.740615 0.485092 O\n0.146859 0.715668 0.553089 O\n0.660037 0.348393 0.104491 O\n0.061070 0.050667 0.339855 O\n0.941953 0.976084 0.648149 O\n0.512070 0.241481 0.441763 O\n0.487930 0.241481 0.941763 O\n0.664970 0.656689 0.396060 O\n0.133566 0.276300 0.507465 O\n0.866364 0.308184 0.435494 O\n",
"nsites": 44,
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"elements": [
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],
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"formula_full": "Li2 Ti2 P10 O30",
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"updated_at": "2021-11-28T01:37:49.335000Z",
"spacegroup": 7
},
{
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}