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{
"id": "jvasp-118638",
"created_at": "2022-09-04T14:38:27.808510Z",
"updated_at": "2022-09-04T14:38:27.808540Z",
"structure_string": "Li2 Sb1\n1.0\n3.260598 -0.454916 -0.096131\n-2.266246 -4.269467 -0.154806\n-0.450329 -2.339672 -4.200294\nLi Sb\n2 1\ndirect\n0.135449 0.432585 0.326746 Li\n0.750408 0.660389 0.712846 Li\n0.942931 0.046495 0.019794 Sb\n",
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{
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"structure_string": "Nd4 Cu4 Se8\n1.0\n0.000000 6.717777 0.007594\n7.510783 0.000000 0.000000\n0.000000 -0.826075 -7.177131\nNd Cu Se\n4 4 8\ndirect\n0.307459 0.545557 0.700597 Nd\n0.692542 0.045557 0.799404 Nd\n0.692542 0.454443 0.299404 Nd\n0.307459 0.954443 0.200597 Nd\n0.933410 0.838395 0.455403 Cu\n0.066592 0.161604 0.544597 Cu\n0.933410 0.661604 0.955403 Cu\n0.066591 0.338395 0.044597 Cu\n0.581458 0.723914 0.999027 Se\n0.581457 0.776086 0.499027 Se\n0.418544 0.223914 0.500974 Se\n0.418544 0.276086 0.000974 Se\n0.100682 0.610262 0.280927 Se\n0.899319 0.110262 0.219074 Se\n0.899319 0.389738 0.719074 Se\n0.100683 0.889738 0.780927 Se\n",
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{
"id": "jvasp-122602",
"created_at": "2022-09-04T14:38:54.596652Z",
"updated_at": "2022-09-04T14:38:54.596673Z",
"structure_string": "Pm1 Sn7\n1.0\n6.798320 -0.000000 0.000000\n-0.000000 6.798320 -0.000000\n0.000000 -0.000000 6.798320\nPm Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Pm\n0.260082 0.260082 0.760082 Sn\n0.000000 0.500000 0.000000 Sn\n0.260082 0.739918 0.239918 Sn\n0.500000 0.000000 0.000000 Sn\n0.739918 0.260082 0.239918 Sn\n0.500000 0.500000 0.500000 Sn\n0.739918 0.739918 0.760082 Sn\n",
"nsites": 8,
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"volume": 314.1990079722184,
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"formula_full": "Pm1 Sn7",
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"spacegroup": 215
},
{
"id": "jvasp-34408",
"created_at": "2022-09-04T14:38:06.040376Z",
"updated_at": "2022-09-04T14:38:06.040409Z",
"structure_string": "Na3 Mn3 Cr3 F18\n1.0\n4.529391 -7.845135 -0.000000\n4.529391 7.845135 0.000000\n0.000000 -0.000000 4.955161\nNa Mn Cr F\n3 3 3 18\ndirect\n0.368027 -0.000000 0.000000 Na\n0.631973 0.631973 0.000000 Na\n-0.000000 0.368027 0.000000 Na\n0.699984 -0.000000 0.500000 Mn\n-0.000000 0.699984 0.500000 Mn\n0.300016 0.300016 0.500000 Mn\n0.333333 0.666667 0.497475 Cr\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.502525 Cr\n0.798120 0.897334 0.224675 F\n0.130146 0.591313 0.283761 F\n0.201879 0.099213 0.775325 F\n0.897334 0.798120 0.775325 F\n0.900787 0.102666 0.775325 F\n0.102666 0.900787 0.224675 F\n0.099213 0.201879 0.224675 F\n0.538833 0.408687 0.716239 F\n0.766993 0.541013 0.290192 F\n0.869854 0.461166 0.716239 F\n0.458987 0.225979 0.290192 F\n0.461166 0.869854 0.283761 F\n0.774021 0.233007 0.290192 F\n0.233007 0.774021 0.709808 F\n0.225979 0.458987 0.709808 F\n0.541013 0.766993 0.709808 F\n0.591313 0.130146 0.716239 F\n0.408687 0.538833 0.283761 F\n",
"nsites": 27,
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"elements": [
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"density": 3.450481272258493,
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"volume": 352.1502489264032,
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{
"id": "jvasp-4074",
"created_at": "2022-09-04T14:36:31.005122Z",
"updated_at": "2022-09-04T14:36:31.005149Z",
"structure_string": "P2 I4\n1.0\n4.511747 0.071917 -0.209732\n1.963571 7.129666 -0.061373\n1.106809 0.924034 6.850801\nP I\n2 4\ndirect\n0.400694 0.038540 0.852858 P\n0.599307 0.961460 0.147142 P\n0.571933 0.339135 0.772104 I\n0.428068 0.660866 0.227897 I\n0.832116 0.799704 0.695664 I\n0.167885 0.200296 0.304337 I\n",
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{
"id": "jvasp-46993",
"created_at": "2022-09-04T14:38:02.686874Z",
"updated_at": "2022-09-04T14:38:02.686897Z",
"structure_string": "Na2 Ni1 O2\n1.0\n-2.869769 0.000849 -0.005107\n-0.001256 -4.557746 -0.007116\n1.426967 2.271372 4.749037\nNa Ni O\n2 1 2\ndirect\n0.320402 0.819015 0.646743 Na\n0.673040 0.171610 0.351958 Na\n0.996721 0.495303 0.999362 Ni\n0.628250 0.626838 0.262437 O\n0.365209 0.363807 0.736294 O\n",
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"spacegroup": 71
},
{
"id": "jvasp-38205",
"created_at": "2022-09-04T14:38:13.345742Z",
"updated_at": "2022-09-04T14:38:13.345758Z",
"structure_string": "Rb3 Ru1\n1.0\n0.000000 4.303619 4.303619\n4.303619 0.000000 4.303619\n4.303619 4.303619 -0.000000\nRb Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Ru\n",
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"spacegroup": 225
},
{
"id": "jvasp-10662",
"created_at": "2022-09-04T14:37:10.906061Z",
"updated_at": "2022-09-04T14:37:10.906080Z",
"structure_string": "Na4 Pd2 S4\n1.0\n3.575628 0.000000 0.000000\n-1.787814 5.164803 0.000000\n0.000000 0.000000 10.850584\nNa Pd S\n4 2 4\ndirect\n0.432281 0.864559 0.876027 Na\n0.567720 0.135440 0.376028 Na\n0.827188 0.654374 0.587958 Na\n0.172814 0.345625 0.087959 Na\n0.134696 0.269392 0.751256 Pd\n0.865305 0.730608 0.251256 Pd\n0.546402 0.092804 0.633128 S\n0.453599 0.907195 0.133128 S\n0.720979 0.441955 0.871629 S\n0.279023 0.558044 0.371629 S\n",
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"volume": 200.3822292708366,
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"formula_full": "Na4 Pd2 S4",
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"spacegroup": 36
},
{
"id": "jvasp-10302",
"created_at": "2022-09-04T14:37:10.360246Z",
"updated_at": "2022-09-04T14:37:10.360257Z",
"structure_string": "K4 Ge2 As4\n1.0\n6.073857 0.000000 -2.645158\n-1.303967 6.176596 -2.994189\n-0.025856 0.035694 8.236653\nK Ge As\n4 2 4\ndirect\n0.641920 0.306633 0.283839 K\n0.358080 0.693367 0.716160 K\n0.858080 0.022793 0.716160 K\n0.141919 0.977207 0.283839 K\n0.250000 0.500000 -0.000000 Ge\n0.750000 0.500000 -0.000000 Ge\n0.894117 0.568602 0.788234 As\n0.105883 0.431398 0.211765 As\n0.605883 0.780368 0.211765 As\n0.394117 0.219632 0.788234 As\n",
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},
{
"id": "jvasp-69726",
"created_at": "2022-09-04T14:36:01.570702Z",
"updated_at": "2022-09-04T14:36:01.570729Z",
"structure_string": "Sr1 Be1 Sb1\n1.0\n2.119025 -3.670260 0.000000\n2.119025 3.670260 -0.000000\n0.000000 -0.000000 4.767839\nSr Be Sb\n1 1 1\ndirect\n0.666668 0.333334 0.333381 Sr\n0.000000 0.000000 0.833160 Be\n0.333334 0.666668 0.833459 Sb\n",
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},
{
"id": "jvasp-115047",
"created_at": "2022-09-04T14:38:44.292512Z",
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"structure_string": "Sr1 Ge1 S2\n1.0\n4.108287 0.000000 0.000000\n0.000000 4.108287 0.000000\n0.000000 -0.000000 5.902366\nSr Ge S\n1 1 2\ndirect\n0.500000 0.500000 0.508246 Sr\n0.000000 0.000000 0.040984 Ge\n0.000000 0.000000 0.450959 S\n0.500000 0.500000 0.009811 S\n",
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{
"id": "jvasp-64057",
"created_at": "2022-09-04T14:35:57.491096Z",
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"structure_string": "Ba4 Fe1 Sn1\n1.0\n-0.000000 4.907222 4.907222\n4.907222 0.000000 4.907222\n4.907222 4.907222 -0.000000\nBa Fe Sn\n4 1 1\ndirect\n0.124610 0.625130 0.625130 Ba\n0.625130 0.625130 0.625130 Ba\n0.625130 0.124610 0.625130 Ba\n0.625130 0.625130 0.124610 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sn\n",
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