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{
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"results": [
{
"id": "jvasp-119031",
"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.2894916889572015,
"density_atomic": 0.047236498402462516,
"volume": 338.72112754161924,
"volume_molar": 12.74891442775965,
"formula_full": "Zn2 Si2 Ag4 S8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 7
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{
"id": "jvasp-119527",
"created_at": "2022-09-04T14:38:35.003812Z",
"updated_at": "2022-09-04T14:38:35.003842Z",
"structure_string": "La2 Mg2 Fe2 Ni2 O12\n1.0\n5.237982 -0.020401 0.001268\n0.037470 7.474937 -0.023814\n-0.001207 0.017385 5.376351\nLa Mg Fe Ni O\n2 2 2 2 12\ndirect\n0.994233 0.249871 0.032073 La\n0.494240 0.749839 0.467919 La\n0.528906 0.248462 0.556742 Mg\n0.028925 0.748552 0.943276 Mg\n0.502194 0.500972 0.997047 Fe\n0.002221 0.000974 0.502947 Fe\n0.001931 0.498865 0.498724 Ni\n0.501950 0.998857 0.001289 Ni\n0.766738 0.054906 0.756307 O\n0.266606 0.554956 0.743803 O\n0.431300 0.254693 0.954866 O\n0.931312 0.754703 0.545127 O\n0.698206 0.054513 0.301999 O\n0.128101 0.244513 0.486268 O\n0.687589 0.443256 0.292887 O\n0.187590 0.943275 0.207065 O\n0.260883 0.949910 0.738748 O\n0.628119 0.744494 0.013725 O\n0.198208 0.554531 0.198063 O\n0.760743 0.449863 0.761134 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Mg",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-La-Mg-Ni-O",
"density": 5.8963420410168395,
"density_atomic": 0.0950074946831571,
"volume": 210.50970838351762,
"volume_molar": 6.338595476160475,
"formula_full": "La2 Mg2 Fe2 Ni2 O12",
"formula_reduced": "LaMgFeNiO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.174443295,
"spacegroup": 7
},
{
"id": "jvasp-34127",
"created_at": "2022-09-04T14:38:36.379376Z",
"updated_at": "2022-09-04T14:38:36.379411Z",
"structure_string": "Te10 Mo8 S6\n1.0\n0.352680 5.899100 -0.000087\n-0.001048 -0.000063 -14.092445\n-6.787270 0.390712 -0.000192\nTe Mo S\n10 8 6\ndirect\n0.654979 0.612843 0.985832 Te\n0.846804 0.110505 0.771767 Te\n0.654982 0.887179 0.485768 Te\n0.351269 0.119228 0.021442 Te\n0.150854 0.613163 0.724590 Te\n0.346036 0.381475 0.015165 Te\n0.346032 0.118500 0.515225 Te\n0.150845 0.886856 0.224535 Te\n0.351257 0.380757 0.521385 Te\n0.846803 0.389470 0.271707 Te\n0.318717 0.751771 0.480376 Mo\n0.691147 0.251106 0.019280 Mo\n0.818731 0.750751 0.231833 Mo\n0.691135 0.248872 0.519285 Mo\n0.818733 0.749270 0.731830 Mo\n0.170836 0.248920 0.768488 Mo\n0.318712 0.748250 0.980375 Mo\n0.170841 0.251058 0.268495 Mo\n0.152192 0.851797 0.733378 S\n0.650978 0.851348 0.979650 S\n0.847473 0.147353 0.268266 S\n0.152193 0.648224 0.233422 S\n0.847469 0.352627 0.768218 S\n0.650984 0.648672 0.479693 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.557587508917825,
"density_atomic": 0.04238887794771853,
"volume": 566.1862536111726,
"volume_molar": 14.206888815098083,
"formula_full": "Te10 Mo8 S6",
"formula_reduced": "Te5Mo4S3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.4365827027777778,
"spacegroup": 7
},
{
"id": "jvasp-119591",
"created_at": "2022-09-04T14:38:35.944469Z",
"updated_at": "2022-09-04T14:38:35.944490Z",
"structure_string": "Li2 Co4 P4 O16\n1.0\n5.015684 0.000000 0.000000\n-0.000000 6.752338 4.956596\n-0.000000 0.083222 9.973089\nLi Co P O\n2 4 4 16\ndirect\n0.405322 0.504649 0.504583 Li\n0.594677 0.504649 0.004583 Li\n0.065386 0.494054 0.247259 Co\n0.406680 -0.002778 0.756227 Co\n0.593320 -0.002777 0.256227 Co\n0.934613 0.494054 0.747260 Co\n0.436275 0.753342 0.630368 P\n0.087260 0.244361 0.120462 P\n0.563724 0.753342 0.130368 P\n0.912739 0.244361 0.620462 P\n0.522138 0.948268 0.600763 O\n0.136798 0.721515 0.673218 O\n0.499871 0.758397 0.474407 O\n0.035137 0.266233 0.957746 O\n0.590895 0.568087 0.780241 O\n0.389845 0.243529 0.157129 O\n0.955937 0.050360 0.268120 O\n0.409105 0.568087 0.280241 O\n0.500128 0.758397 0.974407 O\n0.044062 0.050360 0.768120 O\n0.964260 0.432514 0.096544 O\n0.477861 0.948268 0.100762 O\n0.610154 0.243528 0.657130 O\n0.863201 0.721516 0.173218 O\n-0.035137 0.266233 0.457746 O\n0.035739 0.432514 0.596544 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.1138621521109133,
"density_atomic": 0.07745112699735962,
"volume": 335.6955671011264,
"volume_molar": 7.775407529196186,
"formula_full": "Li2 Co4 P4 O16",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.9310462153846157,
"spacegroup": 7
},
{
"id": "jvasp-111791",
"created_at": "2022-09-04T14:38:40.930518Z",
"updated_at": "2022-09-04T14:38:40.930551Z",
"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
"nsites": 20,
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"elements": [
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"Co",
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"Pb",
"O"
],
"chemical_system": "Co-Nd-O-Pb-Sb",
"density": 8.013705150751951,
"density_atomic": 0.07683049352682662,
"volume": 260.3133089730404,
"volume_molar": 7.8382169416851015,
"formula_full": "Nd2 Co2 Sb2 Pb2 O12",
"formula_reduced": "NdCoSbPbO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.357795032,
"spacegroup": 7
},
{
"id": "jvasp-116484",
"created_at": "2022-09-04T14:38:42.938285Z",
"updated_at": "2022-09-04T14:38:42.938310Z",
"structure_string": "Li4 Mn2 Sn2 S8\n1.0\n6.828645 0.000000 0.000000\n-0.000000 5.035991 4.041024\n-0.000000 0.033445 10.240983\nLi Mn Sn S\n4 2 2 8\ndirect\n0.338507 0.165151 0.225840 Li\n0.661492 0.165151 0.725840 Li\n0.833187 0.913454 0.479125 Li\n0.166813 0.913455 0.979125 Li\n0.169762 0.418686 0.475933 Mn\n0.830237 0.418687 0.975932 Mn\n0.669454 0.667216 0.227192 Sn\n0.330545 0.667217 0.727191 Sn\n0.333538 0.539728 0.229344 S\n0.666461 0.539729 0.729343 S\n0.839020 0.293701 0.476576 S\n0.160979 0.293701 0.976575 S\n0.832151 0.789869 0.975747 S\n0.167849 0.789869 0.475748 S\n0.676169 0.047126 0.225341 S\n0.323831 0.047127 0.725340 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.985767563867398,
"density_atomic": 0.045551056056793715,
"volume": 351.25420539209824,
"volume_molar": 13.22063917133229,
"formula_full": "Li4 Mn2 Sn2 S8",
"formula_reduced": "Li2MnSnS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 7
},
{
"id": "jvasp-112710",
"created_at": "2022-09-04T14:38:43.538800Z",
"updated_at": "2022-09-04T14:38:43.538828Z",
"structure_string": "As2 H2 Pb2 O8\n1.0\n6.676929 -0.000000 0.000000\n0.000000 4.895341 0.401755\n-0.000000 -0.081907 5.876998\nAs H Pb O\n2 2 2 8\ndirect\n0.796541 0.509202 0.258654 As\n0.203459 0.509202 0.758655 As\n0.523003 0.477712 0.016069 H\n0.476997 0.477711 0.516069 H\n0.215143 0.995482 0.236872 Pb\n0.784857 0.995482 0.736872 Pb\n0.929661 0.247542 0.393288 O\n0.933970 0.744847 0.095758 O\n0.066030 0.744847 0.595758 O\n0.070339 0.247542 0.893288 O\n0.637347 0.342484 0.069379 O\n0.640879 0.666730 0.441976 O\n0.359122 0.666730 0.941976 O\n0.362653 0.342483 0.569380 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "As-H-O-Pb",
"density": 5.994541317499272,
"density_atomic": 0.07279747741033528,
"volume": 192.31435618416603,
"volume_molar": 8.272458022213032,
"formula_full": "As2 H2 Pb2 O8",
"formula_reduced": "AsHPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2210852242857144,
"spacegroup": 7
},
{
"id": "jvasp-116646",
"created_at": "2022-09-04T14:38:43.642718Z",
"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"La",
"Mg",
"Ru",
"O"
],
"chemical_system": "La-Mg-O-Ru-Sr",
"density": 5.999235150325747,
"density_atomic": 0.08066195805317093,
"volume": 247.94835735101242,
"volume_molar": 7.465899545892888,
"formula_full": "Sr2 La2 Mg2 Ru2 O12",
"formula_reduced": "SrLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.058627186,
"spacegroup": 7
},
{
"id": "jvasp-112933",
"created_at": "2022-09-04T14:38:45.400246Z",
"updated_at": "2022-09-04T14:38:45.400281Z",
"structure_string": "Na2 Se4 O12\n1.0\n5.121079 0.000000 0.000000\n-0.000000 5.205343 1.543112\n-0.000000 0.499478 10.288281\nNa Se O\n2 4 12\ndirect\n0.179752 -0.002142 0.482921 Na\n0.820248 -0.002142 -0.017079 Na\n0.533543 0.344454 0.685849 Se\n0.466457 0.344454 0.185849 Se\n0.092417 0.655323 0.800863 Se\n-0.092417 0.655323 0.300863 Se\n0.042997 0.372886 0.303104 O\n0.957003 0.372886 0.803104 O\n0.048686 0.913323 0.190937 O\n0.951314 0.913323 0.690937 O\n0.537781 0.098272 0.327150 O\n0.407356 0.654197 0.717777 O\n0.592644 0.654197 0.217777 O\n0.128726 0.671551 0.957168 O\n0.644984 0.343136 0.051229 O\n0.355016 0.343136 0.551229 O\n0.462219 0.098273 0.827150 O\n-0.128726 0.671551 0.457168 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.40215320643021,
"density_atomic": 0.0665908636160218,
"volume": 270.3073518282047,
"volume_molar": 9.043494006512732,
"formula_full": "Na2 Se4 O12",
"formula_reduced": "Na(SeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.087014081481482,
"spacegroup": 7
},
{
"id": "jvasp-116771",
"created_at": "2022-09-04T14:38:45.520195Z",
"updated_at": "2022-09-04T14:38:45.520222Z",
"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Fe-La-Mn-O-Zn",
"density": 6.27737387149051,
"density_atomic": 0.09195764688058199,
"volume": 217.49142870056684,
"volume_molar": 6.548819988641587,
"formula_full": "La2 Mn2 Zn2 Fe2 O12",
"formula_reduced": "LaMnZnFeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.474827914137931,
"spacegroup": 7
},
{
"id": "jvasp-113069",
"created_at": "2022-09-04T14:38:45.811478Z",
"updated_at": "2022-09-04T14:38:45.811514Z",
"structure_string": "Nb2 Sb6 O16\n1.0\n5.567306 0.000000 0.000000\n-0.000000 4.558798 1.876229\n-0.000000 -0.010593 12.853218\nNb Sb O\n2 6 16\ndirect\n0.626914 0.073694 0.424468 Nb\n0.373087 0.073695 0.924468 Nb\n0.875019 0.560854 0.930506 Sb\n0.124982 0.560853 0.430506 Sb\n0.223680 0.363462 0.178715 Sb\n0.284597 0.790716 0.675316 Sb\n0.776321 0.363462 0.678715 Sb\n0.715404 0.790716 0.175316 Sb\n0.330062 0.207314 0.491499 O\n0.171168 0.315883 0.987211 O\n0.599115 0.828014 0.876492 O\n0.904716 0.911540 0.380850 O\n0.400885 0.828014 0.376492 O\n0.095284 0.911540 0.880850 O\n0.434026 0.387524 0.776433 O\n0.397266 0.748635 0.087717 O\n0.565974 0.387524 0.276433 O\n0.933469 0.564450 0.775278 O\n0.828833 0.315883 0.487211 O\n0.105084 0.573922 0.589515 O\n0.602734 0.748635 0.587717 O\n0.894917 0.573922 0.089515 O\n0.066531 0.564450 0.275278 O\n0.669939 0.207314 0.991499 O\n",
"nsites": 24,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Nb-O-Sb",
"density": 5.9656347798435405,
"density_atomic": 0.07354559120616098,
"volume": 326.3281946122897,
"volume_molar": 8.188309674632842,
"formula_full": "Nb2 Sb6 O16",
"formula_reduced": "NbSb3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.854564641666667,
"spacegroup": 7
},
{
"id": "jvasp-117093",
"created_at": "2022-09-04T14:38:46.578596Z",
"updated_at": "2022-09-04T14:38:46.578623Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.277124 0.000000 0.000000\n-0.000000 7.809347 2.140980\n-0.000000 0.124328 8.251017\nLi Co Si O\n4 4 4 16\ndirect\n0.841030 0.030438 0.076978 Li\n0.332485 0.496263 0.282960 Li\n0.158969 0.030439 0.576978 Li\n0.667514 0.496263 0.782960 Li\n0.332578 0.134137 0.200962 Co\n0.832795 0.626081 0.393292 Co\n0.667421 0.134137 0.700962 Co\n0.167204 0.626081 0.893292 Co\n0.169495 0.261870 0.821969 Si\n0.337138 0.752028 0.513965 Si\n0.830504 0.261870 0.321969 Si\n0.662862 0.752028 0.013964 Si\n0.312736 0.434249 0.843595 O\n0.214447 0.786372 0.685332 O\n0.871385 0.302028 0.764041 O\n0.320802 0.188331 0.681783 O\n0.624968 0.673394 0.556323 O\n0.316363 0.947419 0.387521 O\n0.177204 0.614814 0.438443 O\n0.375031 0.673394 0.056323 O\n0.687264 0.434249 0.343594 O\n0.785552 0.786372 0.185332 O\n0.128614 0.302028 0.264041 O\n0.679197 0.188331 0.181782 O\n0.822795 0.614814 0.938443 O\n0.175263 0.113783 0.006637 O\n0.824736 0.113783 0.506637 O\n0.683637 0.947419 0.887521 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.0983257651370284,
"density_atomic": 0.0826868282285191,
"volume": 338.6270897054757,
"volume_molar": 7.283071426269721,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4395762142857143,
"spacegroup": 7
}
]
}