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"results": [
{
"id": "jvasp-119233",
"created_at": "2022-09-04T14:38:27.820782Z",
"updated_at": "2022-09-04T14:38:27.820808Z",
"structure_string": "Zn8 Fe3 N8\n1.0\n10.326353 -0.047850 3.816967\n0.586841 3.384025 -0.000000\n0.178175 -0.030898 7.826872\nZn Fe N\n8 3 8\ndirect\n0.110403 0.944800 0.699320 Zn\n0.889596 0.055201 0.300680 Zn\n0.638729 0.680636 0.511279 Zn\n0.361270 0.319364 0.488722 Zn\n0.836568 0.581715 0.888033 Zn\n0.163431 0.418286 0.111967 Zn\n0.600076 0.199961 0.852213 Zn\n0.399923 0.800039 0.147788 Zn\n0.632548 0.183726 0.198941 Fe\n0.367451 0.816275 0.801060 Fe\n-0.000000 0.500000 0.500000 Fe\n0.260472 0.869765 0.039802 N\n0.739528 0.130235 0.960199 N\n0.308386 0.845808 0.613489 N\n0.691614 0.154193 0.386511 N\n0.539967 0.730017 0.784957 N\n0.460032 0.269984 0.215044 N\n0.021902 0.489050 0.725154 N\n0.978097 0.510951 0.274846 N\n",
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{
"id": "jvasp-21300",
"created_at": "2022-09-04T14:36:47.372009Z",
"updated_at": "2022-09-04T14:36:47.372036Z",
"structure_string": "Mg2 Si4 Sn2 O12\n1.0\n5.348505 0.140080 1.253231\n1.467332 7.065121 0.703999\n0.118031 0.027594 7.249132\nMg Si Sn O\n2 4 2 12\ndirect\n0.750001 0.296252 0.703747 Mg\n0.250001 0.703748 0.296253 Mg\n0.217886 0.173398 0.364228 Si\n0.282113 0.635771 0.826601 Si\n0.717886 0.364228 0.173398 Si\n0.782115 0.826601 0.635771 Si\n0.249999 0.148891 0.851109 Sn\n0.749999 0.851110 0.148890 Sn\n0.672670 0.052085 0.669652 O\n0.827331 0.330346 0.947914 O\n0.619617 0.588083 0.227296 O\n0.880383 0.772705 0.411917 O\n0.380382 0.411915 0.772704 O\n0.048188 0.739931 0.717249 O\n0.951812 0.260068 0.282750 O\n0.548189 0.717249 0.739932 O\n0.327330 0.947914 0.330347 O\n0.451812 0.282752 0.260067 O\n0.119618 0.227294 0.588083 O\n0.172670 0.669654 0.052086 O\n",
"nsites": 20,
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"volume": 271.35239746873975,
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"formula_full": "Mg2 Si4 Sn2 O12",
"formula_reduced": "MgSi2SnO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-117295",
"created_at": "2022-09-04T14:38:26.247861Z",
"updated_at": "2022-09-04T14:38:26.247885Z",
"structure_string": "Li12 Fe4 O12\n1.0\n8.591851 -0.001046 -0.000013\n0.001080 8.591828 -0.000006\n0.000005 0.000003 3.675529\nLi Fe O\n12 4 12\ndirect\n0.105940 0.362888 0.500000 Li\n0.137118 0.605940 -0.000000 Li\n0.161506 0.161503 0.000000 Li\n0.338495 0.661510 0.500000 Li\n0.362894 0.105939 0.500000 Li\n0.394062 0.862904 -0.000001 Li\n0.605940 0.137116 0.000000 Li\n0.637111 0.894061 0.499999 Li\n0.661509 0.338496 0.500000 Li\n0.838493 0.838491 -0.000000 Li\n0.862900 0.394061 0.000000 Li\n0.894062 0.637102 0.500000 Li\n0.882161 0.117838 0.500001 Fe\n0.617834 0.617835 -0.000001 Fe\n0.382161 0.382160 -0.000000 Fe\n0.117837 0.882162 0.499999 Fe\n0.103417 0.103418 0.500000 O\n0.112503 0.672762 0.499999 O\n0.172761 0.387495 -0.000000 O\n0.327235 0.887499 0.499999 O\n0.387497 0.172760 0.000000 O\n0.396578 0.603416 -0.000000 O\n0.603416 0.396579 0.000000 O\n0.612500 0.827235 -0.000001 O\n0.672762 0.112504 0.500001 O\n0.827233 0.612500 -0.000000 O\n0.887499 0.327238 0.500001 O\n0.896581 0.896581 0.500000 O\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.10319671190152487,
"volume": 271.3264743039382,
"volume_molar": 5.835593643474425,
"formula_full": "Li12 Fe4 O12",
"formula_reduced": "Li3FeO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 136
},
{
"id": "jvasp-12740",
"created_at": "2022-09-04T14:36:35.482587Z",
"updated_at": "2022-09-04T14:36:35.482613Z",
"structure_string": "Ba2 Te4 O12\n1.0\n5.655798 -0.000000 0.000000\n-2.827898 6.437671 -0.000000\n0.000000 -0.000000 7.451861\nBa Te O\n2 4 12\ndirect\n0.719379 0.438757 0.250000 Ba\n0.280621 0.561243 0.750000 Ba\n0.585890 0.171779 0.750000 Te\n0.414110 0.828220 0.250000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.655975 0.786129 0.455887 O\n0.869846 0.213871 0.544113 O\n0.270483 0.540967 0.250000 O\n0.655975 0.786129 0.044113 O\n0.951691 0.903382 0.750000 O\n0.130154 0.786129 0.044113 O\n0.344025 0.213871 0.955887 O\n0.130154 0.786129 0.455887 O\n0.344025 0.213871 0.544113 O\n0.869846 0.213871 0.955887 O\n0.048309 0.096617 0.250000 O\n0.729517 0.459033 0.750000 O\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.06634147018300458,
"volume": 271.32350173046444,
"volume_molar": 9.077490660649781,
"formula_full": "Ba2 Te4 O12",
"formula_reduced": "Ba(TeO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 63
},
{
"id": "jvasp-11495",
"created_at": "2022-09-04T14:37:34.333378Z",
"updated_at": "2022-09-04T14:37:34.333402Z",
"structure_string": "Na8 Mo2 N4 O4\n1.0\n5.866403 0.003108 -0.009480\n2.128680 5.496809 0.005498\n2.810355 0.118941 8.411249\nNa Mo N O\n8 2 4 4\ndirect\n0.241246 0.761552 0.984024 Na\n0.758753 0.238449 0.015977 Na\n0.054392 0.759446 0.400420 Na\n0.945606 0.240554 0.599580 Na\n0.478868 0.738376 0.558036 Na\n0.521130 0.261625 0.441964 Na\n0.611934 0.723286 0.183524 Na\n0.388064 0.276714 0.816476 Na\n0.159288 0.280608 0.237731 Mo\n0.840710 0.719392 0.762269 Mo\n0.295156 0.037343 0.363213 N\n0.155132 0.543058 0.645431 N\n0.844867 0.456943 0.354569 N\n0.704843 0.962658 0.636788 N\n0.638859 0.515413 0.813456 O\n0.151359 0.156700 0.054125 O\n0.361139 0.484587 0.186544 O\n0.848639 0.843301 0.945876 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.0345681138742813,
"density_atomic": 0.06634283398300356,
"volume": 271.31792417266104,
"volume_molar": 9.077304055993173,
"formula_full": "Na8 Mo2 N4 O4",
"formula_reduced": "Na4Mo(NO)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 2
},
{
"id": "jvasp-119502",
"created_at": "2022-09-04T14:38:50.850697Z",
"updated_at": "2022-09-04T14:38:50.850724Z",
"structure_string": "Dy4 Mn2 Sb2 O14\n1.0\n6.371322 -0.034455 -3.494182\n-2.051542 5.855534 -3.782609\n-0.016659 0.034455 7.266551\nDy Mn Sb O\n4 2 2 14\ndirect\n0.000000 0.500000 -0.000000 Dy\n-0.000000 -0.000000 0.500000 Dy\n-0.000000 0.499999 0.499999 Dy\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.590508 0.917084 0.255737 O\n0.161346 0.334770 0.244263 O\n0.580682 0.330682 0.250000 O\n0.167540 0.917539 0.249999 O\n0.409492 0.665229 0.326576 O\n0.838654 0.082916 0.173425 O\n0.832460 0.082460 0.750000 O\n0.838653 0.665229 0.755737 O\n0.419318 0.669317 0.749999 O\n0.161346 0.917083 0.826575 O\n0.126163 0.376162 0.749999 O\n0.873837 0.623837 0.250000 O\n0.409492 0.082915 0.744262 O\n0.590507 0.334770 0.673424 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 7.51195637186928,
"density_atomic": 0.08108581329670972,
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"volume_molar": 7.426873475343639,
"formula_full": "Dy4 Mn2 Sb2 O14",
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"spacegroup": 74
},
{
"id": "jvasp-112704",
"created_at": "2022-09-04T14:38:41.790951Z",
"updated_at": "2022-09-04T14:38:41.790981Z",
"structure_string": "Ba3 La1 Nb3 O12\n1.0\n5.545522 -0.005283 8.162369\n2.506570 4.946710 8.162369\n-0.008609 -0.005283 9.867979\nBa La Nb O\n3 1 3 12\ndirect\n0.710453 0.710455 0.710454 Ba\n0.288681 0.288681 0.288681 Ba\n0.131730 0.131731 0.131730 Ba\n0.855875 0.855877 0.855876 La\n0.575057 0.575058 0.575058 Nb\n0.424467 0.424468 0.424468 Nb\n0.999194 0.999196 0.999195 Nb\n0.626310 0.123136 0.626311 O\n0.877062 0.377207 0.377206 O\n0.377206 0.377207 0.877062 O\n0.377206 0.877063 0.377206 O\n0.289069 0.794760 0.794759 O\n0.711106 0.208807 0.208807 O\n0.794758 0.289071 0.794759 O\n0.626310 0.626311 0.123135 O\n0.208806 0.208807 0.711106 O\n0.208807 0.711106 0.208807 O\n0.794759 0.794760 0.289070 O\n0.123134 0.626311 0.626311 O\n",
"nsites": 19,
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],
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"volume": 271.3089741263131,
"volume_molar": 8.599267534946609,
"formula_full": "Ba3 La1 Nb3 O12",
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{
"id": "jvasp-122576",
"created_at": "2022-09-04T14:38:51.453371Z",
"updated_at": "2022-09-04T14:38:51.453391Z",
"structure_string": "Sn7 Ir1\n1.0\n6.473631 -0.000000 -0.000000\n0.000000 6.473631 -0.000000\n0.000000 -0.000000 6.473631\nSn Ir\n7 1\ndirect\n0.230232 0.230232 0.730232 Sn\n0.000000 0.500000 0.000000 Sn\n0.230232 0.769767 0.269768 Sn\n0.500000 0.000000 0.000000 Sn\n0.769767 0.230232 0.269768 Sn\n0.500000 0.500000 0.500000 Sn\n0.769767 0.769767 0.730232 Sn\n0.000000 0.000000 0.500000 Ir\n",
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],
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"formula_full": "Sn7 Ir1",
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"spacegroup": 215
},
{
"id": "jvasp-122107",
"created_at": "2022-09-04T14:38:54.423013Z",
"updated_at": "2022-09-04T14:38:54.423038Z",
"structure_string": "Nd1 Zr3 F15\n1.0\n6.857170 -0.004775 -2.872552\n-4.316330 5.328235 -2.872552\n-0.002279 -0.004775 7.434536\nNd Zr F\n1 3 15\ndirect\n0.997995 0.997995 0.997996 Nd\n0.360925 0.793280 0.360926 Zr\n0.360925 0.360924 0.793280 Zr\n0.793279 0.360924 0.360925 Zr\n0.176584 0.417532 0.176584 F\n0.859862 0.640212 0.640213 F\n0.640212 0.640212 0.859863 F\n0.640213 0.859862 0.640213 F\n0.755983 0.096608 0.096609 F\n0.096608 0.096608 0.755984 F\n0.653482 0.110217 0.441106 F\n0.176584 0.176584 0.417532 F\n0.441106 0.653482 0.110218 F\n0.441105 0.110217 0.653482 F\n0.110218 0.441105 0.653482 F\n0.110218 0.653482 0.441106 F\n0.653482 0.441105 0.110218 F\n0.096609 0.755985 0.096609 F\n0.417531 0.176584 0.176584 F\n",
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{
"id": "jvasp-48148",
"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
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"elements": [
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],
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"density_atomic": 0.09584502191550322,
"volume": 271.2712614633397,
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"formula_full": "Li4 Co4 Si4 O14",
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},
{
"id": "jvasp-22485",
"created_at": "2022-09-04T14:37:37.546840Z",
"updated_at": "2022-09-04T14:37:37.546867Z",
"structure_string": "Ca1 Ti4 S8\n1.0\n6.142693 -0.015136 4.686412\n2.310673 5.691546 4.686412\n-0.022540 -0.015136 7.726231\nCa Ti S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500000 0.999999 0.500001 Ti\n0.999999 0.499999 0.500001 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.763367 0.255541 0.763368 S\n0.236632 0.236632 0.744459 S\n0.236631 0.744460 0.236632 S\n0.744457 0.236632 0.236633 S\n0.261975 0.261976 0.261975 S\n0.738024 0.738024 0.738025 S\n0.255542 0.763368 0.763367 S\n0.763368 0.763368 0.255541 S\n",
"nsites": 13,
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],
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"volume": 271.2648505229851,
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"formula_full": "Ca1 Ti4 S8",
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{
"id": "jvasp-64108",
"created_at": "2022-09-04T14:36:00.334946Z",
"updated_at": "2022-09-04T14:36:00.334977Z",
"structure_string": "Ba4 Ca1 Fe1\n1.0\n-0.000000 5.137907 5.137907\n5.137907 0.000000 5.137907\n5.137907 5.137907 0.000000\nBa Ca Fe\n4 1 1\ndirect\n0.119830 0.626724 0.626724 Ba\n0.626724 0.626724 0.626724 Ba\n0.626724 0.119830 0.626724 Ba\n0.626724 0.626724 0.119830 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Fe\n",
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}
]
}