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{
"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",
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{
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"created_at": "2022-09-04T14:38:32.969620Z",
"updated_at": "2022-09-04T14:38:32.969650Z",
"structure_string": "Nd4 Zn10 Sn2\n1.0\n8.580817 -0.018894 0.000000\n-7.414242 4.319698 0.000000\n0.000000 -0.000000 9.061992\nNd Zn Sn\n4 10 2\ndirect\n0.205020 0.794981 0.250000 Nd\n0.794982 0.205020 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.814570 0.185432 0.391741 Zn\n0.185432 0.814570 0.608259 Zn\n0.814570 0.185432 0.108259 Zn\n0.185432 0.814570 0.891740 Zn\n0.656510 0.343492 0.483384 Zn\n0.343492 0.656510 0.516616 Zn\n0.656510 0.343492 0.016616 Zn\n0.343492 0.656510 0.983384 Zn\n0.394471 0.605531 0.250000 Zn\n0.605531 0.394471 0.750000 Zn\n0.554365 0.445637 0.250000 Sn\n0.445637 0.554365 0.750000 Sn\n",
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{
"id": "jvasp-119033",
"created_at": "2022-09-04T14:38:52.785002Z",
"updated_at": "2022-09-04T14:38:52.785030Z",
"structure_string": "Li2 La2 C4 N8\n1.0\n3.763874 -0.000000 0.000000\n0.000000 5.331424 1.064423\n-0.000000 -0.055250 10.162836\nLi La C N\n2 2 4 8\ndirect\n0.749999 0.404647 0.353808 Li\n0.250000 0.595352 0.646192 Li\n0.250000 0.017525 0.193442 La\n0.749999 0.982474 0.806559 La\n0.749999 0.573942 0.109058 C\n0.250000 0.426058 0.890942 C\n0.749999 0.779876 0.472927 C\n0.250000 0.220123 0.527073 C\n0.749999 0.349101 0.158608 N\n0.250000 0.650899 0.841392 N\n0.250000 0.198070 0.934551 N\n0.749999 0.801930 0.065449 N\n0.250000 0.244633 0.404774 N\n0.749999 0.755366 0.595226 N\n0.749999 0.791647 0.349184 N\n0.250000 0.208353 0.650816 N\n",
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{
"id": "jvasp-119034",
"created_at": "2022-09-04T14:38:51.293688Z",
"updated_at": "2022-09-04T14:38:51.293718Z",
"structure_string": "Tm4 Ge6 Os7\n1.0\n6.802759 0.000000 -2.405139\n-3.401380 5.891362 -2.405139\n0.000000 0.000000 7.215416\nTm Ge Os\n4 6 7\ndirect\n-0.000000 -0.000000 0.500000 Tm\n-0.000000 0.500000 -0.000000 Tm\n0.500000 -0.000000 -0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n-0.000000 0.690415 0.690415 Ge\n0.309585 0.309585 -0.000000 Ge\n0.690415 -0.000000 0.690415 Ge\n0.309585 -0.000000 0.309585 Ge\n0.690415 0.690415 -0.000000 Ge\n-0.000000 0.309585 0.309585 Ge\n0.500000 0.750000 0.250000 Os\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "jvasp-119035",
"created_at": "2022-09-04T14:38:33.084821Z",
"updated_at": "2022-09-04T14:38:33.084837Z",
"structure_string": "Na6 Os3 O12\n1.0\n9.541430 -0.000000 0.000000\n-4.770715 8.263121 0.000000\n-0.000000 -0.000000 3.187716\nNa Os O\n6 3 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.500001 Na\n0.333334 0.666667 0.500001 Na\n0.305505 0.305504 0.500001 Na\n0.694496 0.000000 0.500001 Na\n0.000000 0.694496 0.500001 Na\n0.670794 0.670794 -0.000000 Os\n0.329206 0.000000 -0.000000 Os\n0.000000 0.329206 -0.000000 Os\n0.785345 0.565928 -0.000000 O\n0.219417 0.434072 -0.000000 O\n0.214656 0.780583 -0.000000 O\n0.565928 0.785344 -0.000000 O\n0.000000 0.457730 0.500001 O\n0.191779 0.000000 0.500001 O\n0.542270 0.542270 0.500001 O\n0.000000 0.191779 0.500001 O\n0.780584 0.214656 -0.000000 O\n0.808221 0.808221 0.500001 O\n0.457730 0.000000 0.500001 O\n0.434072 0.219416 -0.000000 O\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 189
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{
"id": "jvasp-119036",
"created_at": "2022-09-04T14:38:50.040421Z",
"updated_at": "2022-09-04T14:38:50.040448Z",
"structure_string": "Tb6 Mn2 B14\n1.0\n8.084872 0.003709 0.000000\n-7.345936 3.376745 0.000000\n0.000000 0.000000 9.323465\nTb Mn B\n6 2 14\ndirect\n0.896034 0.103966 0.439121 Tb\n0.103964 0.896033 0.560879 Tb\n0.896034 0.103966 0.060879 Tb\n0.103964 0.896033 0.939122 Tb\n0.240908 0.759090 0.250000 Tb\n0.759090 0.240909 0.750000 Tb\n0.054257 0.945741 0.250000 Mn\n0.945742 0.054258 0.750000 Mn\n0.477793 0.522206 0.599053 B\n0.522206 0.477793 0.400947 B\n0.477793 0.522206 0.900947 B\n0.522206 0.477793 0.099053 B\n0.370028 0.629970 0.653043 B\n0.629970 0.370029 0.346958 B\n0.727151 0.272848 0.032744 B\n0.629970 0.370029 0.153044 B\n0.272847 0.727151 0.967257 B\n0.461280 0.538719 0.250000 B\n0.272847 0.727151 0.532744 B\n0.727151 0.272848 0.467256 B\n0.370028 0.629970 0.846958 B\n0.538719 0.461280 0.750000 B\n",
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],
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"density_atomic": 0.0863456991176466,
"volume": 254.78976051864322,
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"formula_full": "Tb6 Mn2 B14",
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"spacegroup": 63
},
{
"id": "jvasp-119037",
"created_at": "2022-09-04T14:38:33.110334Z",
"updated_at": "2022-09-04T14:38:33.110364Z",
"structure_string": "Rb12 Hg2 S8\n1.0\n10.404937 -0.000000 0.000000\n-5.202468 9.010939 0.000000\n-0.000000 -0.000000 7.905834\nRb Hg S\n12 2 8\ndirect\n0.148240 0.296479 0.203068 Rb\n0.055302 0.527650 0.880023 Rb\n0.472350 0.944698 0.880023 Rb\n0.944699 0.472350 0.380024 Rb\n0.527650 0.472350 0.380024 Rb\n0.527651 0.055302 0.380024 Rb\n0.472350 0.527650 0.880023 Rb\n0.851761 0.148240 0.703068 Rb\n0.851761 0.703521 0.703068 Rb\n0.703521 0.851760 0.203068 Rb\n0.148240 0.851760 0.203068 Rb\n0.296479 0.148240 0.703068 Rb\n0.333333 0.666667 0.501754 Hg\n0.666667 0.333333 0.001754 Hg\n0.192271 0.807729 0.603003 S\n0.333333 0.666667 0.162940 S\n0.666667 0.333333 0.662940 S\n0.807729 0.615457 0.103003 S\n0.807729 0.192271 0.103003 S\n0.384543 0.192271 0.103003 S\n0.192271 0.384543 0.603003 S\n0.615457 0.807729 0.603003 S\n",
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"spacegroup": 186
},
{
"id": "jvasp-119038",
"created_at": "2022-09-04T14:38:50.054250Z",
"updated_at": "2022-09-04T14:38:50.054281Z",
"structure_string": "Li8 Nd8 Sn8\n1.0\n9.500928 -0.000000 0.000000\n-4.750464 8.228045 0.000000\n0.000000 -0.000000 7.674581\nLi Nd Sn\n8 8 8\ndirect\n0.166743 0.333485 0.285438 Li\n0.166743 0.833258 0.285438 Li\n0.666516 0.833258 0.285438 Li\n0.833258 0.666516 0.785438 Li\n0.833258 0.166742 0.785438 Li\n0.333485 0.166742 0.785438 Li\n0.333334 0.666667 0.678445 Li\n0.666667 0.333334 0.178445 Li\n0.000000 0.000000 -0.001295 Nd\n0.000000 0.000000 0.498705 Nd\n0.021516 0.510757 0.994990 Nd\n0.489243 0.510757 0.994990 Nd\n0.489244 0.978485 0.994990 Nd\n0.978485 0.489243 0.494990 Nd\n0.510758 0.489243 0.494990 Nd\n0.510757 0.021515 0.494990 Nd\n0.166700 0.333401 0.729850 Sn\n0.166701 0.833301 0.729850 Sn\n0.666600 0.833301 0.729850 Sn\n0.833301 0.666600 0.229850 Sn\n0.833300 0.166700 0.229850 Sn\n0.333401 0.166700 0.229850 Sn\n0.333334 0.666667 0.263001 Sn\n0.666667 0.333334 0.763001 Sn\n",
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{
"id": "jvasp-119039",
"created_at": "2022-09-04T14:38:44.377205Z",
"updated_at": "2022-09-04T14:38:44.377220Z",
"structure_string": "Ce4 V4 O16\n1.0\n7.197947 0.000000 0.000000\n-0.000000 5.457949 3.867839\n-0.000000 0.056623 8.271841\nCe V O\n4 4 16\ndirect\n0.345839 0.825753 0.776048 Ce\n0.154162 0.825753 0.276048 Ce\n0.654162 0.174247 0.223952 Ce\n0.845839 0.174246 0.723953 Ce\n0.335248 0.317962 0.798518 V\n0.164752 0.317962 0.298518 V\n0.664753 0.682038 0.201482 V\n0.835248 0.682038 0.701482 V\n0.220734 0.622152 0.112309 O\n0.279266 0.622152 0.612310 O\n0.893515 0.651813 0.514917 O\n0.606485 0.651813 0.014917 O\n0.106485 0.348187 0.485083 O\n0.393515 0.348186 0.985083 O\n0.649847 0.885493 0.611107 O\n0.005132 0.825119 0.753511 O\n0.350154 0.114507 0.388893 O\n0.149847 0.114506 0.888893 O\n0.720734 0.377848 0.387691 O\n0.494868 0.825119 0.253511 O\n0.994869 0.174881 0.246489 O\n0.505132 0.174881 0.746490 O\n0.850154 0.885493 0.111107 O\n0.779266 0.377848 0.887691 O\n",
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},
{
"id": "jvasp-119041",
"created_at": "2022-09-04T14:38:49.584629Z",
"updated_at": "2022-09-04T14:38:49.584653Z",
"structure_string": "Ca16 In6\n1.0\n9.323021 -0.004312 -1.813541\n-5.115795 7.945005 -1.479464\n-0.011372 -0.020498 9.636640\nCa In\n16 6\ndirect\n0.921125 0.769163 0.391880 Ca\n0.228013 0.846854 0.202850 Ca\n0.537753 0.705337 0.794260 Ca\n0.961079 0.061272 0.171267 Ca\n0.038921 0.938728 0.828734 Ca\n0.771988 0.153146 0.797151 Ca\n0.879355 0.399494 0.146042 Ca\n0.667612 0.120852 0.388016 Ca\n0.462247 0.294663 0.205740 Ca\n0.332388 0.879147 0.611985 Ca\n0.297923 0.501436 0.387180 Ca\n0.120645 0.600505 0.853959 Ca\n0.533644 0.703002 0.149200 Ca\n0.466357 0.296997 0.850801 Ca\n0.702077 0.498564 0.612820 Ca\n0.078875 0.230836 0.608120 Ca\n0.500000 0.000000 0.000000 In\n0.826775 0.662090 -0.000132 In\n0.676125 0.838881 0.525389 In\n0.000000 0.500000 0.500000 In\n0.173225 0.337910 0.000133 In\n0.323876 0.161119 0.474612 In\n",
"nsites": 22,
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"elements": [
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"volume": 712.9504736136629,
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"spacegroup": 2
},
{
"id": "jvasp-119042",
"created_at": "2022-09-04T14:38:33.182310Z",
"updated_at": "2022-09-04T14:38:33.182342Z",
"structure_string": "Li2 Fe12 Ge10\n1.0\n4.941798 0.004905 0.850788\n2.393496 4.323490 0.850788\n0.023924 0.014117 14.638902\nLi Fe Ge\n2 12 10\ndirect\n0.088114 0.088115 0.735849 Li\n0.911887 0.911885 0.264151 Li\n0.546955 0.546955 0.860749 Fe\n0.453045 0.453044 0.139252 Fe\n0.364693 0.364693 0.417969 Fe\n0.364702 0.852698 0.417950 Fe\n0.852699 0.364701 0.417950 Fe\n0.635308 0.635307 0.582032 Fe\n0.147302 0.635299 0.582050 Fe\n0.453042 0.954595 0.139252 Fe\n0.954596 0.453040 0.139252 Fe\n0.546959 0.045405 0.860748 Fe\n0.045405 0.546960 0.860748 Fe\n0.635299 0.147302 0.582050 Fe\n0.240474 0.240474 0.278475 Ge\n0.333480 0.333481 0.999567 Ge\n0.666520 0.666518 0.000433 Ge\n0.029885 0.029887 0.910333 Ge\n0.970115 0.970113 0.089667 Ge\n0.425450 0.425450 0.723748 Ge\n0.574550 0.574549 0.276253 Ge\n0.147512 0.147512 0.557429 Ge\n0.852489 0.852487 0.442571 Ge\n0.759526 0.759525 0.721525 Ge\n",
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],
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"formula_full": "Li2 Fe12 Ge10",
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{
"id": "jvasp-119043",
"created_at": "2022-09-04T14:38:48.437312Z",
"updated_at": "2022-09-04T14:38:48.437322Z",
"structure_string": "Ce6 Ir18\n1.0\n5.340406 -0.000000 0.000000\n-2.670204 4.624927 0.000000\n0.000000 0.000000 17.708889\nCe Ir\n6 18\ndirect\n0.333334 0.666667 0.957779 Ce\n0.666667 0.333334 0.042221 Ce\n0.666667 0.333334 0.457779 Ce\n0.333334 0.666667 0.542221 Ce\n0.333334 0.666667 0.750000 Ce\n0.666667 0.333334 0.250000 Ce\n0.000000 0.000000 0.750000 Ir\n0.000000 0.000000 0.250000 Ir\n0.666667 0.333334 0.750000 Ir\n0.333334 0.666667 0.250000 Ir\n0.664610 0.832305 0.126258 Ir\n0.167696 0.335392 0.126258 Ir\n0.167696 0.832305 0.126258 Ir\n0.335392 0.167695 0.873742 Ir\n0.335392 0.167695 0.626258 Ir\n0.832305 0.167695 0.873742 Ir\n0.000000 0.000000 0.500000 Ir\n0.832306 0.664609 0.626258 Ir\n0.832305 0.167695 0.626258 Ir\n0.664610 0.832305 0.373742 Ir\n0.167696 0.335392 0.373742 Ir\n0.167696 0.832305 0.373742 Ir\n0.832306 0.664609 0.873742 Ir\n0.000000 0.000000 0.000000 Ir\n",
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"elements": [
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"density": 16.327055794321936,
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}
]
}