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{
"id": "jvasp-32959",
"created_at": "2022-09-04T14:37:08.412345Z",
"updated_at": "2022-09-04T14:37:08.412369Z",
"structure_string": "S4 I8 N8\n1.0\n6.503482 -0.109371 0.051249\n2.963780 7.004213 2.135767\n-0.034549 0.149501 11.533528\nS I N\n4 8 8\ndirect\n0.759127 0.487393 0.375903 S\n0.240873 0.512606 0.624098 S\n0.756275 0.246232 0.115235 S\n0.243725 0.753767 0.884766 S\n0.724053 0.698595 0.688220 I\n0.275947 0.301405 0.311780 I\n0.633366 0.177141 0.794166 I\n0.149657 0.070633 0.620754 I\n0.876947 0.730926 0.054047 I\n0.366633 0.822859 0.205834 I\n0.123053 0.269074 0.945953 I\n0.850342 0.929366 0.379246 I\n0.006224 0.136814 0.106927 N\n-0.006224 0.863186 0.893074 N\n0.306312 0.388618 0.760320 N\n0.693687 0.611382 0.239680 N\n0.335430 0.834260 0.766431 N\n0.003201 0.350180 0.413378 N\n-0.003200 0.649819 0.586623 N\n0.664570 0.165740 0.233570 N\n",
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{
"id": "jvasp-85223",
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"updated_at": "2022-09-04T14:37:08.864102Z",
"structure_string": "La2 Ge1 I2\n1.0\n4.461463 -0.000000 0.000000\n-2.230732 3.863740 -0.000000\n-0.000000 -0.000000 10.885644\nLa Ge I\n2 1 2\ndirect\n0.666667 0.333333 0.655467 La\n0.333333 0.666667 0.344533 La\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.844519 I\n0.666667 0.333333 0.155480 I\n",
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{
"id": "jvasp-12741",
"created_at": "2022-09-04T14:37:10.456829Z",
"updated_at": "2022-09-04T14:37:10.456851Z",
"structure_string": "Ga4 Te2 S4\n1.0\n6.208896 -0.000000 -3.541435\n-2.019966 5.871127 -3.541435\n-0.020396 -0.028588 7.177723\nGa Te S\n4 2 4\ndirect\n0.883960 0.160820 0.321640 Ga\n0.410819 0.187679 0.821639 Ga\n0.437680 0.160820 0.321640 Ga\n0.410819 0.633960 0.821640 Ga\n0.247161 0.747162 0.494325 Te\n-0.002838 -0.002838 -0.005675 Te\n0.636399 0.378708 0.272799 S\n0.144089 0.386399 0.772798 S\n0.628708 0.386399 0.772798 S\n0.636398 0.894090 0.272799 S\n",
"nsites": 10,
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"elements": [
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"S"
],
"chemical_system": "Ga-S-Te",
"density": 4.223836855302347,
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"volume": 260.3939047645612,
"volume_molar": 15.681287475382225,
"formula_full": "Ga4 Te2 S4",
"formula_reduced": "Ga2TeS2",
"formula_anonymous": "AB2C2",
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"spacegroup": 109
},
{
"id": "jvasp-106385",
"created_at": "2022-09-04T14:38:40.022406Z",
"updated_at": "2022-09-04T14:38:40.022424Z",
"structure_string": "Sr2 Sn1 N2\n1.0\n3.692896 0.000000 -0.994204\n-0.267679 3.683023 -0.994273\n0.007393 0.008229 7.383052\nSr Sn N\n2 1 2\ndirect\n0.839949 0.839948 0.179899 Sr\n0.160051 0.160052 0.820102 Sr\n0.500000 0.500000 0.500000 Sn\n0.346756 0.346756 0.193514 N\n0.653244 0.653244 0.806487 N\n",
"nsites": 5,
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"elements": [
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"density": 5.320972531837168,
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"formula_full": "Sr2 Sn1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-110605",
"created_at": "2022-09-04T14:38:38.951851Z",
"updated_at": "2022-09-04T14:38:38.951876Z",
"structure_string": "Ce1 Ni2 Sb2\n1.0\n4.226631 -0.040566 -3.883597\n-0.842278 4.142055 -3.883597\n0.033473 0.040566 5.739827\nCe Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.629251 0.629252 -0.000001 Ni\n0.370748 0.370749 -0.000000 Ni\n0.749999 0.250000 0.499999 Sb\n0.249999 0.750001 0.500000 Sb\n",
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"elements": [
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{
"id": "jvasp-110501",
"created_at": "2022-09-04T14:38:39.481103Z",
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"structure_string": "Tb4 Cd2 Ni4\n1.0\n7.361918 0.000000 0.000000\n-0.000000 7.361918 -0.000000\n0.000000 0.000000 3.663802\nTb Cd Ni\n4 2 4\ndirect\n0.675459 0.175459 0.500000 Tb\n0.324541 0.824541 0.500000 Tb\n0.175459 0.324541 0.500000 Tb\n0.824541 0.675459 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.118844 0.618844 0.000000 Ni\n0.881157 0.381156 0.000000 Ni\n0.618844 0.881157 0.000000 Ni\n0.381156 0.118844 0.000000 Ni\n",
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{
"id": "jvasp-16717",
"created_at": "2022-09-04T14:38:33.208682Z",
"updated_at": "2022-09-04T14:38:33.208695Z",
"structure_string": "Tb1 Fe2 B2\n1.0\n3.416724 0.000000 -1.197211\n-0.419500 3.390873 -1.197211\n-0.043236 -0.048915 5.350712\nTb Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.249999 0.750000 0.500000 Fe\n0.749999 0.250000 0.500000 Fe\n0.660753 0.660754 0.321507 B\n0.339245 0.339247 0.678493 B\n",
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"volume": 61.59144603191661,
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"formula_full": "Tb1 Fe2 B2",
"formula_reduced": "Tb(FeB)2",
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"spacegroup": 139
},
{
"id": "jvasp-30988",
"created_at": "2022-09-04T14:38:33.268985Z",
"updated_at": "2022-09-04T14:38:33.269000Z",
"structure_string": "Er4 Pd4 Pb2\n1.0\n7.836469 -0.000000 0.000000\n-0.000000 7.836469 0.000000\n-0.000000 0.000000 3.581748\nEr Pd Pb\n4 4 2\ndirect\n0.670145 0.170145 0.500000 Er\n0.170145 0.329855 0.500000 Er\n0.829855 0.670145 0.500000 Er\n0.329855 0.829855 0.500000 Er\n0.373983 0.126017 0.000000 Pd\n0.126017 0.626017 0.000000 Pd\n0.626017 0.873983 0.000000 Pd\n0.873983 0.373983 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 10,
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"elements": [
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],
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"density": 11.392941153574784,
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"volume": 219.95602717958656,
"volume_molar": 13.246061566858558,
"formula_full": "Er4 Pd4 Pb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-54944",
"created_at": "2022-09-04T14:38:33.221110Z",
"updated_at": "2022-09-04T14:38:33.221141Z",
"structure_string": "Ba2 As4 Pd4\n1.0\n4.455201 -0.000000 -0.946644\n-0.201144 4.450657 -0.946644\n-0.007120 -0.007449 10.923590\nBa As Pd\n2 4 4\ndirect\n0.623400 0.623400 0.246799 Ba\n0.376601 0.376600 0.753202 Ba\n0.250001 0.750000 0.500000 As\n0.932358 0.932358 0.864715 As\n0.067643 0.067643 0.135285 As\n0.750000 0.250000 0.500000 As\n0.500000 0.000000 0.000000 Pd\n0.193454 0.193454 0.386907 Pd\n0.000000 0.500000 0.000000 Pd\n0.806547 0.806547 0.613094 Pd\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.668795179940492,
"density_atomic": 0.046181621944083213,
"volume": 216.536353186296,
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"spacegroup": 139
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{
"id": "jvasp-55256",
"created_at": "2022-09-04T14:38:35.692485Z",
"updated_at": "2022-09-04T14:38:35.692513Z",
"structure_string": "Ba4 Ag8 Te8\n1.0\n4.658548 0.000000 0.000000\n0.000000 10.934132 0.000000\n0.000000 0.000000 11.905487\nBa Ag Te\n4 8 8\ndirect\n0.750000 0.741955 0.805207 Ba\n0.250000 0.258045 0.194793 Ba\n0.750000 0.241955 0.694793 Ba\n0.250000 0.758045 0.305207 Ba\n0.250000 0.564112 0.587742 Ag\n0.750000 0.435888 0.412258 Ag\n0.750000 0.935888 0.087742 Ag\n0.250000 0.064112 0.912258 Ag\n0.750000 0.441022 0.953083 Ag\n0.750000 0.941021 0.546917 Ag\n0.250000 0.058978 0.453083 Ag\n0.250000 0.558978 0.046917 Ag\n0.750000 0.025662 0.311477 Te\n0.250000 0.817039 0.016221 Te\n0.750000 0.182961 0.983779 Te\n0.750000 0.682961 0.516222 Te\n0.250000 0.317039 0.483779 Te\n0.750000 0.525662 0.188523 Te\n0.250000 0.474338 0.811477 Te\n0.250000 0.974338 0.688523 Te\n",
"nsites": 20,
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],
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"density_atomic": 0.03297979435995322,
"volume": 606.4319195478564,
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"formula_full": "Ba4 Ag8 Te8",
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"spacegroup": 62
},
{
"id": "jvasp-56723",
"created_at": "2022-09-04T14:38:33.132187Z",
"updated_at": "2022-09-04T14:38:33.132217Z",
"structure_string": "Nd1 Si2 Ir2\n1.0\n3.870514 0.000000 -1.449477\n-0.542817 3.832262 -1.449477\n-0.007130 -0.008212 5.873386\nNd Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.375801 0.375802 0.751604 Si\n0.624197 0.624198 0.248395 Si\n0.249999 0.750000 0.499999 Ir\n0.749999 0.250000 0.499999 Ir\n",
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"volume": 87.02676130012577,
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"formula_full": "Nd1 Si2 Ir2",
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"spacegroup": 139
},
{
"id": "jvasp-55104",
"created_at": "2022-09-04T14:38:33.151886Z",
"updated_at": "2022-09-04T14:38:33.151905Z",
"structure_string": "Yb1 Ni2 Ge2\n1.0\n3.798547 0.000000 -1.444226\n-0.549102 3.758650 -1.444226\n-0.009395 -0.010867 5.692799\nYb Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n0.370189 0.370187 0.740376 Ge\n0.629814 0.629812 0.259624 Ge\n",
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}