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{
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"results": [
{
"id": "mp-1217537",
"created_at": "2022-09-04T14:42:17.273970Z",
"structure_string": "U6 Si19 Pt30\n1.0\n8.056417 -13.954124 0.000000\n8.056417 13.954124 0.000000\n0.000000 0.000000 4.000483\nU Si Pt\n6 19 30\ndirect\n0.098617 0.703463 0.248660 U\n0.604846 0.901383 0.248660 U\n0.296537 0.395154 0.248660 U\n0.901383 0.296537 0.751340 U\n0.395154 0.098617 0.751340 U\n0.703463 0.604846 0.751340 U\n0.373461 0.939070 0.250117 Si\n0.565609 0.626539 0.250117 Si\n0.060930 0.434391 0.250117 Si\n0.626539 0.060930 0.749883 Si\n0.434391 0.373461 0.749883 Si\n0.939070 0.565609 0.749883 Si\n0.681621 0.444521 0.250462 Si\n0.762900 0.318379 0.250462 Si\n0.555479 0.237100 0.250462 Si\n0.318379 0.555479 0.749538 Si\n0.237100 0.681621 0.749538 Si\n0.444521 0.762900 0.749538 Si\n0.864633 0.744499 0.251096 Si\n0.879866 0.135367 0.251096 Si\n0.255501 0.120134 0.251096 Si\n0.135367 0.255501 0.748904 Si\n0.120134 0.864633 0.748904 Si\n0.744499 0.879866 0.748904 Si\n0.000000 0.000000 0.500000 Si\n0.344205 0.774119 0.249858 Pt\n0.429913 0.655795 0.249858 Pt\n0.225881 0.570087 0.249858 Pt\n0.655795 0.225881 0.750142 Pt\n0.570087 0.344205 0.750142 Pt\n0.774119 0.429913 0.750142 Pt\n0.544708 0.468127 0.250272 Pt\n0.923418 0.455292 0.250272 Pt\n0.531873 0.076582 0.250272 Pt\n0.455292 0.531873 0.749728 Pt\n0.076582 0.544708 0.749728 Pt\n0.468127 0.923418 0.749728 Pt\n0.239167 0.962531 0.248116 Pt\n0.723365 0.760833 0.248116 Pt\n0.037469 0.276635 0.248116 Pt\n0.760833 0.037469 0.751884 Pt\n0.276635 0.239167 0.751884 Pt\n0.962531 0.723365 0.751884 Pt\n0.028459 0.876930 0.241920 Pt\n0.848471 0.971541 0.241920 Pt\n0.123070 0.151529 0.241920 Pt\n0.971541 0.123070 0.758080 Pt\n0.151529 0.028459 0.758080 Pt\n0.876930 0.848471 0.758080 Pt\n0.840472 0.585174 0.250948 Pt\n0.744702 0.159528 0.250948 Pt\n0.414826 0.255298 0.250948 Pt\n0.159528 0.414826 0.749052 Pt\n0.255298 0.840472 0.749052 Pt\n0.585174 0.744702 0.749052 Pt\n",
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],
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"spacegroup": 147
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{
"id": "mp-1369774",
"created_at": "2022-09-04T14:42:17.278060Z",
"structure_string": "Ca4 Ag2 W2 O12\n1.0\n5.923185 0.000000 0.000000\n0.000000 5.627033 0.000000\n0.000000 5.556410 7.909957\nCa Ag W O\n4 2 2 12\ndirect\n0.063918 0.273025 0.745516 Ca\n0.563918 0.726975 0.754484 Ca\n0.936082 0.726975 0.254484 Ca\n0.436082 0.273025 0.245516 Ca\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.273044 0.767682 0.573331 O\n0.773044 0.232318 0.926669 O\n0.726956 0.232318 0.426669 O\n0.226956 0.767682 0.073331 O\n0.171640 0.338212 0.446516 O\n0.671640 0.661788 0.053484 O\n0.828360 0.661788 0.553484 O\n0.328360 0.338212 0.946516 O\n0.443327 0.110016 0.768176 O\n0.943327 0.889984 0.731824 O\n0.056673 0.110016 0.268176 O\n0.556673 0.889984 0.231824 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Ag-Ca-O-W",
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"density_atomic": 0.07586144550126557,
"volume": 263.6385303212598,
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"formula_full": "Ca4 Ag2 W2 O12",
"formula_reduced": "Ca2AgWO6",
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"energy": -146.51534691,
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},
{
"id": "mp-19516",
"created_at": "2022-09-04T14:42:17.280034Z",
"structure_string": "Al8 W12 O48\n1.0\n9.228429 0.000000 0.000000\n0.000000 9.308521 0.000000\n0.000000 0.000000 12.906102\nAl W O\n8 12 48\ndirect\n0.249874 0.467291 0.381511 Al\n0.249874 0.032709 0.618489 Al\n0.250126 0.967291 0.118489 Al\n0.250126 0.532709 0.881511 Al\n0.750126 0.532709 0.618489 Al\n0.750126 0.967291 0.381511 Al\n0.749874 0.032709 0.881511 Al\n0.749874 0.467291 0.118489 Al\n0.974222 0.250000 0.500000 W\n0.525778 0.750000 0.000000 W\n0.025778 0.750000 0.500000 W\n0.474222 0.250000 0.000000 W\n0.393208 0.115575 0.355625 W\n0.393208 0.384425 0.644375 W\n0.106792 0.615575 0.144375 W\n0.106792 0.884425 0.855625 W\n0.606792 0.884425 0.644375 W\n0.606792 0.615575 0.355625 W\n0.893208 0.384425 0.855625 W\n0.893208 0.115575 0.144375 W\n0.858933 0.305250 0.164725 O\n0.858933 0.194750 0.835275 O\n0.641067 0.805250 0.335275 O\n0.641067 0.694750 0.664725 O\n0.141067 0.694750 0.835275 O\n0.141067 0.805250 0.164725 O\n0.358933 0.194750 0.664725 O\n0.358933 0.305250 0.335275 O\n0.814097 0.065313 0.021729 O\n0.814097 0.434687 0.978271 O\n0.685903 0.565313 0.478271 O\n0.685903 0.934687 0.521729 O\n0.185903 0.934687 0.978271 O\n0.185903 0.565313 0.021729 O\n0.314097 0.434687 0.521729 O\n0.314097 0.065313 0.478271 O\n0.411941 0.657685 0.907046 O\n0.588059 0.342315 0.092954 O\n0.911941 0.842315 0.407046 O\n0.911941 0.657685 0.592954 O\n0.087200 0.088352 0.139292 O\n0.087200 0.411648 0.860708 O\n0.412800 0.588352 0.360708 O\n0.412800 0.911648 0.639292 O\n0.912800 0.911648 0.860708 O\n0.912800 0.588352 0.139292 O\n0.587200 0.411648 0.639292 O\n0.587200 0.088352 0.360708 O\n0.361944 0.123699 0.069357 O\n0.361944 0.376301 0.930643 O\n0.138056 0.623699 0.430643 O\n0.138056 0.876301 0.569357 O\n0.638056 0.876301 0.930643 O\n0.638056 0.623699 0.069357 O\n0.861944 0.376301 0.569357 O\n0.861944 0.123699 0.430643 O\n0.313798 0.006717 0.254197 O\n0.313798 0.493283 0.745803 O\n0.186202 0.506717 0.245803 O\n0.186202 0.993283 0.754197 O\n0.686202 0.993283 0.745803 O\n0.686202 0.506717 0.254197 O\n0.813798 0.493283 0.754197 O\n0.813798 0.006717 0.245803 O\n0.088059 0.342315 0.407046 O\n0.088059 0.157685 0.592954 O\n0.411941 0.842315 0.092954 O\n0.588059 0.157685 0.907046 O\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "Al-O-W",
"density": 4.777746384613698,
"density_atomic": 0.06133457516354248,
"volume": 1108.673204610692,
"volume_molar": 9.818508963243923,
"formula_full": "Al8 W12 O48",
"formula_reduced": "Al2(WO4)3",
"formula_anonymous": "A2B3C12",
"energy": -592.59420882,
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"updated_at": "2021-11-28T01:35:47.101000Z",
"spacegroup": 60
},
{
"id": "mp-1209471",
"created_at": "2022-09-04T14:42:17.282833Z",
"structure_string": "Rb4 Ho4 P8 O28\n1.0\n11.032139 0.000000 0.000000\n0.000000 7.881760 0.000000\n0.000000 2.376735 8.488740\nRb Ho P O\n4 4 8 28\ndirect\n0.818012 0.818277 0.556570 Rb\n0.181988 0.181723 0.443430 Rb\n0.318012 0.181723 0.943430 Rb\n0.681988 0.818277 0.056570 Rb\n0.400475 0.761858 0.758015 Ho\n0.599525 0.238142 0.241985 Ho\n0.900475 0.238142 0.741985 Ho\n0.099525 0.761858 0.258015 Ho\n0.132973 0.566679 0.691729 P\n0.867027 0.433321 0.308271 P\n0.632973 0.433321 0.808271 P\n0.367027 0.566679 0.191729 P\n0.097888 0.867644 0.824213 P\n0.902112 0.132356 0.175787 P\n0.597888 0.132356 0.675787 P\n0.402112 0.867644 0.324213 P\n0.074250 0.384487 0.734272 O\n0.925750 0.615513 0.265728 O\n0.574250 0.615513 0.765728 O\n0.425750 0.384487 0.234272 O\n0.226091 0.917528 0.758868 O\n0.773909 0.082472 0.241132 O\n0.726091 0.082472 0.741132 O\n0.273909 0.917528 0.258868 O\n0.266823 0.553145 0.739151 O\n0.733177 0.446855 0.260849 O\n0.766823 0.446855 0.760849 O\n0.233177 0.553145 0.239151 O\n0.107963 0.671083 0.521402 O\n0.892037 0.328917 0.478598 O\n0.607963 0.328917 0.978598 O\n0.392037 0.671083 0.021402 O\n0.409937 0.849601 0.499798 O\n0.590063 0.150399 0.500202 O\n0.909937 0.150399 0.000202 O\n0.090063 0.849601 0.999798 O\n0.063549 0.674122 0.801852 O\n0.936451 0.325878 0.198148 O\n0.563549 0.325878 0.698148 O\n0.436451 0.674122 0.301852 O\n0.502905 0.005766 0.772333 O\n0.497095 0.994234 0.227667 O\n0.002905 0.994234 0.727667 O\n0.997095 0.005766 0.272333 O\n",
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"formula_full": "Rb4 Ho4 P8 O28",
"formula_reduced": "RbHoP2O7",
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"spacegroup": 14
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{
"id": "mp-1114181",
"created_at": "2022-09-04T14:42:17.287413Z",
"structure_string": "K1 Rb2 Ga1 I6\n1.0\n0.000000 6.183772 6.183772\n6.183772 0.000000 6.183772\n6.183772 6.183772 0.000000\nK Rb Ga I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.772596 0.227404 0.227404 I\n0.227404 0.227404 0.772596 I\n0.227404 0.772596 0.772596 I\n0.227404 0.772596 0.227404 I\n0.772596 0.227404 0.772596 I\n0.772596 0.772596 0.227404 I\n",
"nsites": 10,
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"volume": 472.9229620777827,
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"formula_full": "K1 Rb2 Ga1 I6",
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"updated_at": "2021-11-28T01:35:42.119000Z",
"spacegroup": 225
},
{
"id": "mp-998435",
"created_at": "2022-09-04T14:42:17.294911Z",
"structure_string": "Cs4 Sc4 Br12\n1.0\n4.039991 0.000000 0.000000\n0.000000 9.890683 0.000000\n0.000000 0.000000 16.901080\nCs Sc Br\n4 4 12\ndirect\n0.250000 0.062641 0.169911 Cs\n0.750000 0.937359 0.830089 Cs\n0.250000 0.562641 0.330089 Cs\n0.750000 0.437359 0.669911 Cs\n0.750000 0.127743 0.452431 Sc\n0.250000 0.872257 0.547569 Sc\n0.750000 0.627743 0.047569 Sc\n0.250000 0.372257 0.952431 Sc\n0.250000 0.308435 0.499481 Br\n0.750000 0.691565 0.500519 Br\n0.250000 0.808435 0.000519 Br\n0.750000 0.191565 0.999481 Br\n0.750000 0.037493 0.605162 Br\n0.250000 0.962507 0.394838 Br\n0.750000 0.537493 0.894838 Br\n0.250000 0.462507 0.105162 Br\n0.750000 0.256576 0.308605 Br\n0.250000 0.743424 0.691395 Br\n0.750000 0.756576 0.191395 Br\n0.250000 0.243424 0.808605 Br\n",
"nsites": 20,
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"elements": [
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"density": 4.106962516059928,
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"volume": 675.3379230670437,
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"formula_full": "Cs4 Sc4 Br12",
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"updated_at": "2021-11-28T01:35:33.654000Z",
"spacegroup": 62
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{
"id": "mp-776450",
"created_at": "2022-09-04T14:42:17.313635Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.784192 0.000000 0.000000\n-1.518419 7.975504 0.000000\n-2.375402 -3.733380 8.033992\nLi Mn B O\n2 6 6 18\ndirect\n0.485156 0.172733 0.896050 Li\n0.514844 0.827267 0.103950 Li\n0.568942 0.823469 0.770331 Mn\n0.785498 0.526261 0.864707 Mn\n0.077228 0.829602 0.513105 Mn\n0.922772 0.170398 0.486895 Mn\n0.214502 0.473739 0.135293 Mn\n0.431058 0.176531 0.229669 Mn\n0.458856 0.192337 0.574924 B\n0.881276 0.141564 0.128139 B\n0.753291 0.506430 0.206855 B\n0.246709 0.493570 0.793145 B\n0.118724 0.858436 0.871861 B\n0.541144 0.807663 0.425076 B\n0.759101 0.076946 0.962733 O\n0.401351 0.781866 0.522372 O\n0.117474 0.277532 0.205735 O\n0.554021 0.269351 0.743517 O\n0.209921 0.072909 0.487553 O\n0.894741 0.531469 0.110316 O\n0.227072 0.912810 0.770053 O\n0.492476 0.620678 0.879449 O\n0.845245 0.586822 0.374891 O\n0.154755 0.413178 0.625109 O\n0.507524 0.379322 0.120551 O\n0.772928 0.087190 0.229947 O\n0.105259 0.468531 0.889684 O\n0.790079 0.927091 0.512447 O\n0.445979 0.730649 0.256483 O\n0.882526 0.722468 0.794265 O\n0.598649 0.218134 0.477628 O\n0.240899 0.923054 0.037267 O\n",
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"elements": [
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],
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"volume": 370.62288518608665,
"volume_molar": 6.9748224483372905,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
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"spacegroup": 2
},
{
"id": "mp-1096633",
"created_at": "2022-09-04T14:42:17.314316Z",
"structure_string": "K2 Na1 Hg1\n1.0\n-6.936203 7.334759 9.804301\n6.936203 -7.334759 9.804301\n6.936203 7.334759 -9.804301\nK Na Hg\n2 1 1\ndirect\n0.251699 0.000000 0.251699 K\n0.748301 0.000000 0.748301 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"volume": 1995.1900532914656,
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"formula_full": "K2 Na1 Hg1",
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"energy": -2.21979183,
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"spacegroup": 71
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{
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"structure_string": "Cr2 Co1 Te4\n1.0\n2.005627 6.653172 0.000000\n-2.005627 6.653172 0.000000\n0.000000 3.464670 5.948616\nCr Co Te\n2 1 4\ndirect\n0.742537 0.742537 0.275978 Cr\n0.257463 0.257463 0.724022 Cr\n0.000000 0.000000 0.000000 Co\n0.885595 0.885595 0.446107 Te\n0.114405 0.114405 0.553893 Te\n0.627002 0.627002 0.030052 Te\n0.372998 0.372998 0.969948 Te\n",
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"elements": [
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],
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"density": 7.042863038494403,
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"volume": 158.7540630593316,
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"formula_full": "Cr2 Co1 Te4",
"formula_reduced": "Cr2CoTe4",
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{
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"created_at": "2022-09-04T14:42:17.960206Z",
"structure_string": "Rb6 H2 S4 O16\n1.0\n3.005598 7.761890 0.000000\n-3.005598 7.761890 0.000000\n0.000000 2.234388 10.085704\nRb H S O\n6 2 4 16\ndirect\n0.033620 0.586717 0.152311 Rb\n0.413283 0.966380 0.347689 Rb\n0.966380 0.413283 0.847689 Rb\n0.586717 0.033620 0.652311 Rb\n0.244102 0.755898 0.750000 Rb\n0.755898 0.244102 0.250000 Rb\n0.500000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.831657 0.398651 0.535157 S\n0.601349 0.168343 0.964843 S\n0.168343 0.601349 0.464843 S\n0.398651 0.831657 0.035157 S\n0.052299 0.197105 0.603389 O\n0.802895 0.947701 0.896611 O\n0.947701 0.802895 0.396611 O\n0.197105 0.052299 0.103389 O\n0.882395 0.420744 0.390288 O\n0.579256 0.117605 0.109712 O\n0.117605 0.579256 0.609712 O\n0.420744 0.882395 0.890288 O\n0.341585 0.686658 0.053925 O\n0.313342 0.658415 0.446075 O\n0.658415 0.313342 0.946075 O\n0.686658 0.341585 0.553925 O\n0.627473 0.677853 0.094779 O\n0.322147 0.372527 0.405221 O\n0.372527 0.322147 0.905221 O\n0.677853 0.627473 0.594779 O\n",
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"formula_full": "Rb6 H2 S4 O16",
"formula_reduced": "Rb3H(SO4)2",
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},
{
"id": "mp-12770",
"created_at": "2022-09-04T14:42:17.979857Z",
"structure_string": "Dy2 Si4\n1.0\n-1.997182 1.997182 7.254988\n1.997182 -1.997182 7.254988\n1.997182 1.997182 -7.254988\nDy Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.167253 0.667253 0.500000 Si\n0.582747 0.582747 0.000000 Si\n0.332747 0.832747 0.500000 Si\n0.417253 0.417253 0.000000 Si\n",
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"elements": [
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],
"chemical_system": "Dy-Si",
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"volume": 115.75292555209332,
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"formula_full": "Dy2 Si4",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:35:34.910000Z",
"spacegroup": 141
},
{
"id": "mp-1228251",
"created_at": "2022-09-04T14:42:17.992743Z",
"structure_string": "Ba8 Sr1 Ca3 W4 O24\n1.0\n-6.038430 0.000000 0.000000\n-0.085320 -10.510189 0.000000\n2.976413 1.786858 9.921430\nBa Sr Ca W O\n8 1 3 4 24\ndirect\n0.439993 0.808133 0.872139 Ba\n0.191689 0.061643 0.376761 Ba\n0.940030 0.313510 0.873162 Ba\n0.690031 0.561408 0.374351 Ba\n0.309969 0.438592 0.625649 Ba\n0.059970 0.686490 0.126838 Ba\n0.808311 0.938357 0.623239 Ba\n0.560007 0.191867 0.127861 Ba\n0.000000 0.000000 0.000000 Sr\n0.749633 0.249591 0.499131 Ca\n0.500000 0.500000 0.000000 Ca\n0.250367 0.750409 0.500869 Ca\n0.874024 0.622681 0.748283 W\n0.626658 0.873516 0.252997 W\n0.373342 0.126484 0.747003 W\n0.125976 0.377319 0.251717 W\n0.921391 0.309868 0.342918 O\n0.669818 0.556945 0.841628 O\n0.420768 0.807518 0.344516 O\n0.167982 0.061035 0.836139 O\n0.190279 0.537061 0.386158 O\n0.937554 0.779138 0.884118 O\n0.690611 0.034320 0.387889 O\n0.439812 0.285921 0.884040 O\n0.860414 0.455459 0.138783 O\n0.610471 0.702637 0.637247 O\n0.370340 0.954735 0.142028 O\n0.109573 0.205685 0.634692 O\n0.330182 0.443055 0.158372 O\n0.078609 0.690132 0.657082 O\n0.832018 0.938965 0.163861 O\n0.579232 0.192482 0.655484 O\n0.062446 0.220862 0.115882 O\n0.809721 0.462939 0.613842 O\n0.560188 0.714079 0.115960 O\n0.309389 0.965680 0.612111 O\n0.389529 0.297363 0.362753 O\n0.139586 0.544541 0.861217 O\n0.890427 0.794315 0.365308 O\n0.629660 0.045265 0.857972 O\n",
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"formula_full": "Ba8 Sr1 Ca3 W4 O24",
"formula_reduced": "Ba8SrCa3(WO6)4",
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}
]
}