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"results": [
{
"id": "jvasp-120324",
"created_at": "2022-09-04T14:38:51.455898Z",
"updated_at": "2022-09-04T14:38:51.455917Z",
"structure_string": "Mg1 C2\n1.0\n2.509075 0.382967 0.528782\n-0.608471 -5.202543 0.051718\n-0.757896 -0.436453 -2.451646\nMg C\n1 2\ndirect\n-0.078569 0.874937 -0.303118 Mg\n0.749737 0.366103 0.865174 C\n0.091648 0.383637 0.530315 C\n",
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"volume": 29.52851369693213,
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{
"id": "jvasp-119049",
"created_at": "2022-09-04T14:38:51.453918Z",
"updated_at": "2022-09-04T14:38:51.453927Z",
"structure_string": "U8 Ni1 Se17\n1.0\n8.078236 0.004279 1.447473\n3.345879 7.352755 1.447473\n-0.003816 -0.002457 10.817627\nU Ni Se\n8 1 17\ndirect\n0.820351 0.305469 0.296795 U\n0.305469 0.820349 0.296795 U\n0.179650 0.694531 0.703205 U\n0.694531 0.179650 0.703205 U\n0.201216 0.201216 0.545199 U\n0.798784 0.798783 0.454801 U\n0.679835 0.679834 0.985089 U\n0.320165 0.320165 0.014911 U\n0.000000 0.000000 0.000000 Ni\n0.520593 0.520592 0.830128 Se\n0.702954 0.702953 0.243147 Se\n0.297046 0.297046 0.756853 Se\n0.947984 0.947983 0.222224 Se\n0.052016 0.052016 0.777776 Se\n0.783130 0.783128 0.722547 Se\n0.216871 0.216871 0.277453 Se\n0.564994 0.181604 0.462604 Se\n0.052547 0.676775 0.975691 Se\n0.323225 0.947452 0.024309 Se\n0.947453 0.323224 0.024309 Se\n0.479407 0.479407 0.169872 Se\n0.181604 0.564993 0.462604 Se\n0.435007 0.818395 0.537396 Se\n0.818396 0.435006 0.537396 Se\n0.676776 0.052547 0.975691 Se\n-0.000000 -0.000000 0.500000 Se\n",
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"volume": 642.4402734808342,
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{
"id": "jvasp-119427",
"created_at": "2022-09-04T14:38:51.341632Z",
"updated_at": "2022-09-04T14:38:51.341666Z",
"structure_string": "Nb4 F20\n1.0\n8.586648 0.147882 -0.086592\n-3.098720 8.009389 -0.086592\n-0.133850 -0.198955 4.824370\nNb F\n4 20\ndirect\n0.743240 0.743239 0.097006 Nb\n0.256761 0.256761 0.902994 Nb\n0.797545 0.202455 0.500000 Nb\n0.202455 0.797545 0.500000 Nb\n0.827021 0.405245 0.688189 F\n0.594755 0.172979 0.311812 F\n0.072982 0.702067 0.802090 F\n0.297933 0.927018 0.197911 F\n0.927018 0.297933 0.197911 F\n0.702066 0.072982 0.802090 F\n0.972342 0.790975 0.325238 F\n0.209025 0.027658 0.674763 F\n0.027658 0.209026 0.674763 F\n0.734440 0.532710 0.206049 F\n0.405245 0.827021 0.688189 F\n0.467290 0.265561 0.793951 F\n0.265560 0.467290 0.793951 F\n0.532711 0.734440 0.206049 F\n0.364144 0.364144 0.244105 F\n0.635856 0.635856 0.755896 F\n0.115586 0.115586 0.148731 F\n0.884414 0.884414 0.851270 F\n0.790975 0.972342 0.325238 F\n0.172979 0.594755 0.311812 F\n",
"nsites": 24,
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"density": 3.739941234426726,
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"volume": 333.7085879717613,
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"formula_full": "Nb4 F20",
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"spacegroup": 12
},
{
"id": "jvasp-116658",
"created_at": "2022-09-04T14:38:51.261147Z",
"updated_at": "2022-09-04T14:38:51.261166Z",
"structure_string": "Sm2 Fe5 Co12 C1\n1.0\n6.313209 0.003924 0.716150\n0.609899 6.237503 0.681604\n0.012875 0.003924 6.353685\nSm Fe Co C\n2 5 12 1\ndirect\n0.659882 0.640014 0.659882 Sm\n0.340119 0.359984 0.340119 Sm\n0.904332 0.901688 0.904331 Fe\n0.095669 0.098310 0.095669 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.716990 0.283263 0.999749 Co\n0.000252 0.716735 0.283011 Co\n0.283011 0.716735 0.000251 Co\n0.999749 0.283263 0.716989 Co\n0.717285 -0.000001 0.282716 Co\n0.342722 0.348774 0.856396 Co\n0.143605 0.651224 0.657279 Co\n0.655341 0.145654 0.655341 Co\n0.282716 -0.000001 0.717285 Co\n0.856396 0.348774 0.342721 Co\n0.344660 0.854344 0.344659 Co\n0.657279 0.651224 0.143604 Co\n0.500001 -0.000001 0.500000 C\n",
"nsites": 20,
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"elements": [
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"Co",
"C"
],
"chemical_system": "C-Co-Fe-Sm",
"density": 8.625328749111883,
"density_atomic": 0.07996425711977442,
"volume": 250.11174642744456,
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"formula_full": "Sm2 Fe5 Co12 C1",
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"formula_anonymous": "AB2C5D12",
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"spacegroup": 12
},
{
"id": "jvasp-119408",
"created_at": "2022-09-04T14:38:51.154594Z",
"updated_at": "2022-09-04T14:38:51.154617Z",
"structure_string": "K1 Cu2 S2 O10\n1.0\n4.891670 -0.031815 2.122152\n1.235407 4.733203 2.122152\n-0.194533 -0.149267 8.241651\nK Cu S O\n1 2 2 10\ndirect\n0.500001 0.500000 0.500000 K\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000001 -0.000000 Cu\n0.062770 0.062769 0.724447 S\n0.937231 0.937231 0.275553 S\n0.162739 0.162738 0.826433 O\n0.837262 0.837262 0.173566 O\n0.166655 0.166654 0.528014 O\n0.833346 0.833346 0.471985 O\n0.742979 0.157389 0.773091 O\n0.157390 0.742978 0.773091 O\n0.257022 0.842610 0.226909 O\n0.842611 0.257022 0.226909 O\n0.338761 0.338761 0.043159 O\n0.661240 0.661239 0.956840 O\n",
"nsites": 15,
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"elements": [
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"Cu",
"S",
"O"
],
"chemical_system": "Cu-K-O-S",
"density": 3.3362372248905388,
"density_atomic": 0.07721196808822679,
"volume": 194.27040096763426,
"volume_molar": 7.799491334191558,
"formula_full": "K1 Cu2 S2 O10",
"formula_reduced": "KCu2(SO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.0892582600000003,
"spacegroup": 12
},
{
"id": "jvasp-116600",
"created_at": "2022-09-04T14:38:51.449708Z",
"updated_at": "2022-09-04T14:38:51.449722Z",
"structure_string": "Rb4 Nb6 Br18\n1.0\n9.721451 0.375043 2.543599\n-4.766540 8.481000 2.543599\n0.139051 0.248529 10.272009\nRb Nb Br\n4 6 18\ndirect\n0.752718 0.058572 0.328516 Rb\n0.247282 0.941428 0.671484 Rb\n0.941428 0.247281 0.671484 Rb\n0.058572 0.752718 0.328516 Rb\n0.278917 0.458206 0.136931 Nb\n0.541794 0.721083 0.863070 Nb\n0.721083 0.541794 0.863070 Nb\n0.401140 0.401140 0.869332 Nb\n0.598860 0.598860 0.130669 Nb\n0.458206 0.278917 0.136931 Nb\n0.107657 0.330542 0.006615 Br\n0.430330 0.650804 0.673191 Br\n0.569669 0.349196 0.326809 Br\n0.172637 0.172637 0.337895 Br\n0.827363 0.827363 0.662105 Br\n0.266875 0.266875 0.699005 Br\n0.733125 0.733125 0.300996 Br\n0.892342 0.669458 0.993386 Br\n0.596396 0.020883 0.679799 Br\n0.330542 0.107657 0.006615 Br\n-0.020883 0.403604 0.320202 Br\n0.020883 0.596396 0.679799 Br\n0.650804 0.430330 0.673191 Br\n0.403604 -0.020883 0.320202 Br\n0.279500 0.720500 0.000000 Br\n0.720500 0.279499 0.000000 Br\n0.669458 0.892342 0.993386 Br\n0.349196 0.569669 0.326809 Br\n",
"nsites": 28,
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],
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"volume": 853.2398922230336,
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"formula_full": "Rb4 Nb6 Br18",
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},
{
"id": "jvasp-119076",
"created_at": "2022-09-04T14:38:51.014485Z",
"updated_at": "2022-09-04T14:38:51.014522Z",
"structure_string": "Sm3 As6 Pd9\n1.0\n8.254292 0.009672 2.575735\n7.224219 3.993005 2.575735\n-0.026816 -0.006935 10.078946\nSm As Pd\n3 6 9\ndirect\n0.847119 0.847119 0.698549 Sm\n0.152881 0.152881 0.301453 Sm\n0.000000 0.000000 0.000000 Sm\n0.636642 0.636641 0.545318 As\n0.460336 0.460337 0.789276 As\n0.363358 0.363358 0.454683 As\n0.198658 0.198660 0.869164 As\n0.801342 0.801340 0.130837 As\n0.539663 0.539662 0.210725 As\n0.680220 0.680218 0.034613 Pd\n0.957997 0.957995 0.332426 Pd\n0.042003 0.042005 0.667576 Pd\n0.778729 0.778728 0.389026 Pd\n0.221271 0.221272 0.610976 Pd\n0.378496 0.378495 0.197793 Pd\n0.621504 0.621505 0.802208 Pd\n0.500000 0.500000 0.500001 Pd\n0.319780 0.319782 0.965389 Pd\n",
"nsites": 18,
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"elements": [
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],
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"density": 9.300971949474977,
"density_atomic": 0.05425190290939613,
"volume": 331.7855970888442,
"volume_molar": 11.100330932275924,
"formula_full": "Sm3 As6 Pd9",
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"spacegroup": 12
},
{
"id": "jvasp-118973",
"created_at": "2022-09-04T14:38:50.970869Z",
"updated_at": "2022-09-04T14:38:50.970896Z",
"structure_string": "Ti4 Co1 S8\n1.0\n5.271495 -0.017884 3.831862\n0.899497 5.194216 3.831862\n-0.040415 -0.033901 8.037264\nTi Co S\n4 1 8\ndirect\n0.260053 0.260055 0.995383 Ti\n0.739946 0.739947 0.004617 Ti\n0.258964 0.741036 0.499999 Ti\n0.741034 0.258966 0.500000 Ti\n0.000000 0.000000 0.000000 Co\n0.962357 0.962359 0.325949 S\n0.037642 0.037643 0.674050 S\n0.449952 0.449954 0.334648 S\n0.550046 0.550048 0.665351 S\n0.042596 0.554722 0.166709 S\n0.554721 0.042596 0.166710 S\n0.957403 0.445280 0.833290 S\n0.445278 0.957405 0.833289 S\n",
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"density_atomic": 0.05867087682535251,
"volume": 221.57500796685753,
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"spacegroup": 12
},
{
"id": "jvasp-120511",
"created_at": "2022-09-04T14:38:50.971211Z",
"updated_at": "2022-09-04T14:38:50.971235Z",
"structure_string": "Nd2 Co17 N2\n1.0\n6.322102 0.013223 0.681371\n0.588785 6.294639 0.681371\n0.017998 0.016427 6.411442\nNd Co N\n2 17 2\ndirect\n0.651647 0.651646 0.658946 Nd\n0.348354 0.348354 0.341053 Nd\n0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.281078 0.718923 -0.000000 Co\n0.720807 0.000868 0.277730 Co\n-0.000868 0.279193 0.722269 Co\n0.279193 -0.000868 0.722269 Co\n0.000869 0.720807 0.277730 Co\n0.718923 0.281077 -0.000000 Co\n0.657284 0.141313 0.662441 Co\n0.141313 0.657284 0.662440 Co\n0.653165 0.653164 0.130566 Co\n0.342717 0.858688 0.337559 Co\n0.858688 0.342716 0.337559 Co\n0.346836 0.346836 0.869433 Co\n0.096104 0.096104 0.093006 Co\n0.903897 0.903896 0.906993 Co\n0.000001 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n",
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"elements": [
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],
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"volume": 254.95445755440758,
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"formula_full": "Nd2 Co17 N2",
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},
{
"id": "jvasp-116876",
"created_at": "2022-09-04T14:38:50.962137Z",
"updated_at": "2022-09-04T14:38:50.962164Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n2.851319 0.001441 -0.803193\n-0.860198 14.754638 2.437168\n0.294776 0.399800 6.508845\nLi Mn Fe O\n12 2 4 12\ndirect\n0.019523 0.310190 0.728821 Li\n0.960095 0.824324 0.095970 Li\n0.670438 0.288586 0.052250 Li\n0.610994 0.802840 0.419151 Li\n0.964562 0.152033 0.777043 Li\n0.964625 0.657499 0.271741 Li\n0.665880 0.455518 0.876191 Li\n0.665748 0.960975 0.370527 Li\n0.315059 0.140834 0.489298 Li\n0.315770 0.632752 -0.001155 Li\n0.314691 0.480331 0.149004 Li\n0.315169 0.972260 0.658090 Li\n0.279521 0.791922 0.767217 Mn\n0.350938 0.321194 0.380685 Mn\n0.011962 0.995747 0.028157 Fe\n0.009422 0.496059 0.522738 Fe\n0.618282 0.117195 0.119349 Fe\n0.621099 0.617000 0.625201 Fe\n0.441677 0.067669 0.815652 O\n0.518869 0.390832 0.646830 O\n0.519114 0.893284 0.145006 O\n0.111215 0.219687 0.002715 O\n0.111606 0.722223 0.501033 O\n0.864335 0.230011 0.498668 O\n0.840249 0.719097 0.961469 O\n0.790185 0.393962 0.186374 O\n0.766018 0.883062 0.649017 O\n0.188619 0.045337 0.331908 O\n0.186557 0.540938 0.832136 O\n0.443954 0.572113 0.315784 O\n",
"nsites": 30,
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"elements": [
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],
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"density_atomic": 0.10915891469615348,
"volume": 274.82867600420667,
"volume_molar": 5.5168565726058905,
"formula_full": "Li12 Mn2 Fe4 O12",
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"spacegroup": 12
},
{
"id": "jvasp-119056",
"created_at": "2022-09-04T14:38:50.905682Z",
"updated_at": "2022-09-04T14:38:50.905717Z",
"structure_string": "U8 Ti1 S17\n1.0\n7.723198 0.003539 1.242028\n3.158056 7.048013 1.242028\n-0.002649 -0.001717 10.372289\nU Ti S\n8 1 17\ndirect\n0.815608 0.302138 0.298048 U\n0.302139 0.815608 0.298048 U\n0.184393 0.697861 0.701953 U\n0.697862 0.184392 0.701953 U\n0.204702 0.204701 0.542003 U\n0.795299 0.795298 0.457997 U\n0.685041 0.685040 0.981537 U\n0.314960 0.314960 0.018463 U\n0.000000 0.000000 0.000000 Ti\n0.522414 0.522413 0.831325 S\n0.698242 0.698241 0.244871 S\n0.301759 0.301759 0.755129 S\n0.938690 0.938689 0.229411 S\n0.061311 0.061311 0.770589 S\n0.788335 0.788334 0.722924 S\n0.211666 0.211666 0.277076 S\n0.567108 0.179316 0.464383 S\n0.061909 0.675046 0.972068 S\n0.324954 0.938091 0.027933 S\n0.938092 0.324953 0.027933 S\n0.477587 0.477586 0.168675 S\n0.179317 0.567107 0.464383 S\n0.432893 0.820683 0.535617 S\n0.820684 0.432892 0.535617 S\n0.675047 0.061908 0.972068 S\n0.000000 -0.000000 0.500000 S\n",
"nsites": 26,
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"elements": [
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],
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"density": 7.345618650489522,
"density_atomic": 0.04605732725704346,
"volume": 564.5138688768326,
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"formula_full": "U8 Ti1 S17",
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"spacegroup": 12
},
{
"id": "jvasp-123651",
"created_at": "2022-09-04T14:38:55.032890Z",
"updated_at": "2022-09-04T14:38:55.032920Z",
"structure_string": "Cd1 Se2\n1.0\n2.348027 -3.708797 -0.775432\n2.037901 3.529746 -0.000000\n-0.922855 0.532810 5.345610\nCd Se\n1 2\ndirect\n-0.000000 0.333364 0.166667 Cd\n0.789798 0.728218 0.434269 Se\n0.210204 -0.061579 0.899065 Se\n",
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],
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"volume": 81.33916969700795,
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"formula_full": "Cd1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 12
}
]
}