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"results": [
{
"id": "jvasp-46722",
"created_at": "2022-09-04T14:38:31.122041Z",
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"structure_string": "Li2 V4 P4 O16\n1.0\n0.000000 4.749440 0.013420\n10.156274 0.000000 0.000000\n0.000000 -0.110817 -5.843633\nLi V P O\n2 4 4 16\ndirect\n0.750008 0.748309 0.250016 Li\n0.249992 0.248309 0.749984 Li\n0.275660 0.975635 0.002708 V\n0.224335 0.520994 0.497290 V\n0.724340 0.475635 0.997292 V\n0.775664 0.020994 0.502709 V\n0.837737 0.156737 0.003931 P\n0.662273 0.339892 0.496078 P\n0.337727 0.839892 0.503922 P\n0.162263 0.656736 -0.003931 P\n0.526146 0.420036 0.292071 O\n0.518093 0.144542 0.989743 O\n0.559734 0.197225 0.502086 O\n0.940261 0.299404 0.997947 O\n0.981915 0.352082 0.510274 O\n0.512334 0.411683 0.705080 O\n0.012323 0.584957 0.205083 O\n0.018084 0.852081 0.489725 O\n0.481907 0.644542 0.010257 O\n0.440265 0.697225 0.497913 O\n0.059738 0.799403 0.002052 O\n0.973874 0.076583 0.207927 O\n0.487665 0.911682 0.294920 O\n0.473854 0.920036 0.707929 O\n0.026125 0.576583 0.792073 O\n0.987676 0.084957 0.794917 O\n",
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{
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"structure_string": "Ca4 Fe2 Os2 O12\n1.0\n5.571793 0.000000 0.000000\n-0.000000 4.399933 3.082192\n-0.000000 -0.012842 9.363963\nCa Fe Os O\n4 2 2 12\ndirect\n0.442349 0.765272 0.749151 Ca\n0.057651 0.765272 0.249151 Ca\n0.557650 0.234728 0.250848 Ca\n0.942349 0.234728 0.750848 Ca\n0.000000 0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 -0.000000 Os\n0.972181 0.347468 0.247371 O\n0.527818 0.347468 0.747371 O\n0.205690 0.256875 0.549556 O\n0.294310 0.256875 0.049556 O\n0.794310 0.743124 0.450443 O\n0.800720 0.154675 0.048202 O\n0.199279 0.845325 0.951798 O\n0.300720 0.845324 0.451798 O\n0.472181 0.652532 0.252629 O\n0.699279 0.154676 0.548201 O\n0.705690 0.743125 0.950443 O\n0.027818 0.652532 0.752629 O\n",
"nsites": 20,
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"formula_full": "Ca4 Fe2 Os2 O12",
"formula_reduced": "Ca2FeOsO6",
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"spacegroup": 14
},
{
"id": "jvasp-57879",
"created_at": "2022-09-04T14:38:31.292464Z",
"updated_at": "2022-09-04T14:38:31.292489Z",
"structure_string": "Co4 Sb8\n1.0\n0.000000 6.548634 -0.032198\n6.431256 0.000000 0.000000\n0.000000 -2.983794 -5.864491\nCo Sb\n4 8\ndirect\n0.267825 0.000423 0.278629 Co\n0.732174 0.500424 0.221371 Co\n0.732175 0.999577 0.721371 Co\n0.267826 0.499577 0.778629 Co\n0.349175 0.644146 0.163919 Sb\n0.650825 0.144146 0.336081 Sb\n0.650825 0.355855 0.836081 Sb\n0.349175 0.855855 0.663919 Sb\n0.146544 0.358903 0.367814 Sb\n0.853455 0.858903 0.132186 Sb\n0.853456 0.641098 0.632186 Sb\n0.146545 0.141098 0.867814 Sb\n",
"nsites": 12,
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"density_atomic": 0.04846400876741224,
"volume": 247.60642598903084,
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},
{
"id": "jvasp-21453",
"created_at": "2022-09-04T14:38:31.608318Z",
"updated_at": "2022-09-04T14:38:31.608350Z",
"structure_string": "K2 Rb4 Y2 F12\n1.0\n0.000000 6.487172 -0.008132\n6.657397 0.000000 0.000000\n0.000000 -6.432889 -9.205807\nK Rb Y F\n2 4 2 12\ndirect\n0.500000 0.500000 -0.000000 K\n0.500000 0.000000 0.500000 K\n0.736171 0.454230 0.748756 Rb\n0.736171 0.045770 0.248756 Rb\n0.263829 0.954231 0.751244 Rb\n0.263829 0.545770 0.251244 Rb\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.863213 0.464658 0.272689 F\n0.136787 0.964658 0.227311 F\n0.313822 0.815224 0.042161 F\n0.686178 0.315224 0.457839 F\n0.686178 0.184776 0.957839 F\n0.232802 0.268302 0.052696 F\n0.767197 0.731698 0.947304 F\n0.232803 0.231698 0.552696 F\n0.863213 0.035343 0.772689 F\n0.767197 0.768302 0.447304 F\n0.313822 0.684777 0.542162 F\n0.136787 0.535343 0.727311 F\n",
"nsites": 20,
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"elements": [
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"Rb",
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],
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"density_atomic": 0.05026063849330701,
"volume": 397.92570487665637,
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"formula_full": "K2 Rb4 Y2 F12",
"formula_reduced": "KRb2YF6",
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},
{
"id": "jvasp-24360",
"created_at": "2022-09-04T14:38:31.788799Z",
"updated_at": "2022-09-04T14:38:31.788815Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n0.000000 6.153465 0.003002\n12.285669 0.000000 0.000000\n0.000000 -5.101223 -7.404974\nRb Mn P S\n4 2 4 12\ndirect\n0.203539 0.324671 0.473897 Rb\n0.796460 0.675329 0.526103 Rb\n0.796460 0.824671 0.026103 Rb\n0.203539 0.175329 0.973897 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.841468 0.459042 0.871606 P\n0.841468 0.040958 0.371606 P\n0.158532 0.959042 0.628394 P\n0.158532 0.540958 0.128394 P\n0.722264 0.169425 0.452759 S\n0.971211 0.576549 0.249111 S\n0.541970 0.569800 0.744118 S\n0.458030 0.430200 0.255882 S\n0.722264 0.330575 0.952759 S\n0.028788 0.076549 0.250889 S\n0.971211 0.923451 0.749110 S\n0.458030 0.069800 0.755882 S\n0.277735 0.669425 0.047241 S\n0.541970 0.930200 0.244118 S\n0.028788 0.423451 0.750889 S\n0.277735 0.830575 0.547240 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
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"formula_full": "Rb4 Mn2 P4 S12",
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"formula_anonymous": "AB2C2D6",
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},
{
"id": "jvasp-46831",
"created_at": "2022-09-04T14:38:31.947889Z",
"updated_at": "2022-09-04T14:38:31.947919Z",
"structure_string": "Li4 Mn2 C4 O12\n1.0\n0.000000 5.142897 0.046325\n7.850909 0.000000 0.000000\n0.000000 -2.855351 -6.274157\nLi Mn C O\n4 2 4 12\ndirect\n0.387575 0.415880 0.262888 Li\n0.612425 0.915880 0.237111 Li\n0.387576 0.084120 0.762888 Li\n0.612425 0.584120 0.737112 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.821987 0.264035 0.146606 C\n0.178014 0.764035 0.353393 C\n0.821987 0.235965 0.646607 C\n0.178014 0.735965 0.853393 C\n0.934360 0.733763 0.866896 O\n0.065641 0.233763 0.633104 O\n0.723707 0.103413 0.703563 O\n0.324349 0.622364 0.402286 O\n0.675651 0.377636 0.597714 O\n0.675651 0.122364 0.097714 O\n0.934360 0.766237 0.366896 O\n0.065640 0.266237 0.133103 O\n0.723707 0.396587 0.203563 O\n0.276294 0.603413 0.796437 O\n0.276293 0.896587 0.296437 O\n0.324350 0.877636 0.902286 O\n",
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},
{
"id": "jvasp-22424",
"created_at": "2022-09-04T14:38:31.739066Z",
"updated_at": "2022-09-04T14:38:31.739092Z",
"structure_string": "Y8 C14\n1.0\n0.000000 3.708710 -0.002145\n13.737573 0.000000 0.000000\n0.000000 -1.640329 -6.249488\nY C\n8 14\ndirect\n0.366244 0.944564 0.738764 Y\n0.633756 0.444564 0.761237 Y\n0.633756 0.055435 0.261237 Y\n0.366244 0.555435 0.238764 Y\n0.056536 0.662785 0.661427 Y\n0.943464 0.162785 0.838574 Y\n0.943464 0.337215 0.338574 Y\n0.056536 0.837215 0.161427 Y\n0.266639 0.104647 0.549313 C\n0.733361 0.604647 0.950688 C\n0.733361 0.895353 0.450688 C\n0.266639 0.395353 0.049313 C\n0.622791 0.696555 0.954180 C\n0.377209 0.196555 0.545821 C\n0.469493 0.783940 0.923714 C\n0.530507 0.216059 0.076287 C\n0.530507 0.283940 0.576287 C\n0.377209 0.303445 0.045821 C\n0.000000 0.000000 0.000000 C\n-0.000000 0.500000 0.500000 C\n0.469493 0.716059 0.423714 C\n0.622792 0.803445 0.454180 C\n",
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{
"id": "jvasp-56722",
"created_at": "2022-09-04T14:38:31.966202Z",
"updated_at": "2022-09-04T14:38:31.966224Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n0.000000 5.401818 -0.002844\n5.640827 0.000000 0.000000\n0.000000 -5.366722 -7.643543\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.260399 0.942068 0.250773 Bi\n0.739601 0.442068 0.249226 Bi\n0.260399 0.557933 0.750773 Bi\n0.739601 0.057933 0.749226 Bi\n0.763201 0.711046 0.458194 O\n0.837863 0.023311 0.252788 O\n0.668292 0.192815 0.459889 O\n0.668292 0.307186 0.959889 O\n0.236799 0.288955 0.541806 O\n0.331708 0.807186 0.540110 O\n0.236799 0.211046 0.041806 O\n0.162137 0.523312 0.247211 O\n0.331708 0.692815 0.040111 O\n0.763201 0.788955 0.958193 O\n0.162137 0.976689 0.747211 O\n0.837863 0.476689 0.752788 O\n",
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{
"id": "jvasp-49159",
"created_at": "2022-09-04T14:38:32.165624Z",
"updated_at": "2022-09-04T14:38:32.165645Z",
"structure_string": "Pr4 Sb4 O16\n1.0\n0.000000 7.770668 -0.016392\n5.599226 0.000000 0.000000\n0.000000 -1.402927 -7.609537\nPr Sb O\n4 4 16\ndirect\n0.099619 0.272580 0.848757 Pr\n0.400381 0.772580 0.151244 Pr\n0.900381 0.727421 0.151243 Pr\n0.599619 0.227421 0.848757 Pr\n0.301875 0.768651 0.663571 Sb\n0.198125 0.268651 0.336430 Sb\n0.698125 0.231349 0.336429 Sb\n0.801875 0.731350 0.663571 Sb\n0.701884 0.409115 0.562067 O\n0.798116 0.909115 0.437933 O\n0.369937 0.505316 0.829386 O\n0.130063 0.005316 0.170615 O\n0.630063 0.494685 0.170615 O\n0.869937 0.994685 0.829385 O\n0.555389 0.860005 0.667113 O\n0.827221 0.522392 0.880002 O\n0.444611 0.139995 0.332887 O\n0.055389 0.639995 0.667113 O\n0.201884 0.090886 0.562067 O\n0.672779 0.022392 0.119998 O\n0.172779 0.477608 0.119998 O\n0.327221 0.977609 0.880002 O\n0.944611 0.360005 0.332887 O\n0.298116 0.590886 0.437933 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:32.260038Z",
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{
"id": "jvasp-49160",
"created_at": "2022-09-04T14:38:32.425184Z",
"updated_at": "2022-09-04T14:38:32.425208Z",
"structure_string": "Nd4 Sb4 O16\n1.0\n0.000000 7.727277 -0.019958\n5.559478 0.000000 0.000000\n0.000000 -1.348844 -7.600312\nNd Sb O\n4 4 16\ndirect\n0.101408 0.272994 0.850744 Nd\n0.398593 0.772994 0.149256 Nd\n0.898593 0.727006 0.149256 Nd\n0.601408 0.227006 0.850744 Nd\n0.303041 0.769095 0.663257 Sb\n0.196959 0.269094 0.336743 Sb\n0.696960 0.230906 0.336743 Sb\n0.803041 0.730906 0.663257 Sb\n0.699148 0.408070 0.563330 O\n0.800853 0.908071 0.436670 O\n0.371921 0.503723 0.828852 O\n0.128079 0.003723 0.171148 O\n0.628079 0.496277 0.171148 O\n0.871922 0.996278 0.828852 O\n0.556816 0.864630 0.667487 O\n0.827358 0.521442 0.880857 O\n0.443185 0.135371 0.332513 O\n0.056816 0.635371 0.667487 O\n0.199147 0.091930 0.563330 O\n0.672644 0.021441 0.119143 O\n0.172643 0.478559 0.119143 O\n0.327357 0.978559 0.880857 O\n0.943185 0.364630 0.332513 O\n0.300853 0.591930 0.436670 O\n",
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{
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"created_at": "2022-09-04T14:38:32.620959Z",
"updated_at": "2022-09-04T14:38:32.620982Z",
"structure_string": "K4 Au4 I12\n1.0\n0.000000 7.175587 0.023082\n9.335518 0.000000 0.000000\n0.000000 -6.699783 -11.458743\nK Au I\n4 4 12\ndirect\n0.182096 0.119475 0.747814 K\n0.817904 0.619475 0.752185 K\n0.817904 0.880525 0.252186 K\n0.182096 0.380525 0.247814 K\n0.500000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.839515 0.662027 0.035648 I\n0.160486 0.162027 0.464352 I\n0.348063 0.504732 0.764889 I\n0.651938 0.004732 0.735111 I\n0.651938 0.495268 0.235111 I\n0.265578 0.654539 0.462042 I\n0.734423 0.345461 0.537958 I\n0.265578 0.845462 0.962042 I\n0.839515 0.837974 0.535648 I\n0.734423 0.154539 0.037958 I\n0.348063 0.995268 0.264889 I\n0.160486 0.337974 0.964351 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Au",
"I"
],
"chemical_system": "Au-I-K",
"density": 5.347156686265777,
"density_atomic": 0.026104461958197264,
"volume": 766.1525463358438,
"volume_molar": 23.069392388334368,
"formula_full": "K4 Au4 I12",
"formula_reduced": "KAuI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}