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"id": "jvasp-88438",
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"updated_at": "2022-09-04T14:36:20.119449Z",
"structure_string": "La3 Ga1 Br3\n1.0\n6.108451 0.000000 -0.000000\n0.000000 6.108451 0.000000\n-0.000000 0.000000 6.108451\nLa Ga Br\n3 1 3\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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"structure_string": "K6 Ir2\n1.0\n3.706248 -6.419410 -0.000000\n3.706248 6.419410 -0.000000\n-0.000000 0.000000 5.474243\nK Ir\n6 2\ndirect\n0.185847 0.371695 0.250000 K\n0.628305 0.814153 0.250000 K\n0.185847 0.814153 0.250000 K\n0.814153 0.628305 0.750000 K\n0.371695 0.185847 0.750000 K\n0.814153 0.185847 0.750000 K\n0.333333 0.666667 0.750000 Ir\n0.666667 0.333333 0.250000 Ir\n",
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"structure_string": "Rb2 Sc1 Au1 Br6\n1.0\n6.687103 0.000000 3.860800\n2.229034 6.304661 3.860800\n-0.000000 -0.000000 7.721601\nRb Sc Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.757546 0.242454 0.242454 Br\n0.242454 0.242454 0.757546 Br\n0.242453 0.757546 0.757546 Br\n0.242453 0.757546 0.242454 Br\n0.757546 0.242454 0.757546 Br\n0.757545 0.757546 0.242454 Br\n",
"nsites": 10,
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"density_atomic": 0.03071799683400801,
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"volume_molar": 19.604601148121958,
"formula_full": "Rb2 Sc1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-100428",
"created_at": "2022-09-04T14:36:49.147887Z",
"updated_at": "2022-09-04T14:36:49.147919Z",
"structure_string": "Ba1 Al1 Sn1\n1.0\n4.676589 -0.000000 -0.000000\n-2.338294 4.050045 0.000000\n-0.000000 0.000000 5.156310\nBa Al Sn\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.500000 Al\n0.333333 0.666666 0.500000 Sn\n",
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},
{
"id": "jvasp-15956",
"created_at": "2022-09-04T14:37:57.013658Z",
"updated_at": "2022-09-04T14:37:57.013672Z",
"structure_string": "K1 Mn1 Te2\n1.0\n4.106416 0.000000 -1.189230\n-0.344404 4.091948 -1.189230\n0.015826 0.017214 7.738997\nK Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750002 0.250000 0.500000 Mn\n0.357686 0.357684 0.715370 Te\n0.642317 0.642316 0.284630 Te\n",
"nsites": 4,
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"formula_full": "K1 Mn1 Te2",
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{
"id": "jvasp-38754",
"created_at": "2022-09-04T14:37:28.470106Z",
"updated_at": "2022-09-04T14:37:28.470128Z",
"structure_string": "Ac4 S6\n1.0\n-7.617647 -0.000007 -0.000002\n3.808819 -6.597069 -0.000001\n-3.808821 2.199024 6.477384\nAc S\n4 6\ndirect\n0.642537 0.357463 0.072389 Ac\n0.857463 0.142537 0.427610 Ac\n0.142538 0.857464 0.572388 Ac\n0.357463 0.642537 0.927611 Ac\n0.539271 0.750001 0.250000 S\n0.250000 0.039271 0.250000 S\n0.960732 0.460732 0.250000 S\n0.039270 0.539270 0.749999 S\n0.750001 0.960731 0.749999 S\n0.460730 0.250001 0.749999 S\n",
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{
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"created_at": "2022-09-04T14:38:38.294302Z",
"updated_at": "2022-09-04T14:38:38.294317Z",
"structure_string": "Ga2 Hg1 Te4\n1.0\n5.503540 -0.048548 -5.215402\n-1.050692 5.402533 -5.215402\n0.040376 0.048548 7.582068\nGa Hg Te\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500001 Ga\n0.000000 0.000000 0.000000 Hg\n0.837891 0.405213 -0.000000 Te\n0.405214 0.837890 0.000000 Te\n0.162110 0.162109 0.567324 Te\n0.594787 0.594786 0.432677 Te\n",
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{
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"created_at": "2022-09-04T14:35:59.108931Z",
"updated_at": "2022-09-04T14:35:59.108970Z",
"structure_string": "Ca3 Mg3\n1.0\n3.693247 0.000000 0.000000\n-1.846624 3.198446 0.000000\n0.000000 0.000000 16.533238\nCa Mg\n3 3\ndirect\n0.333334 0.666668 0.842938 Ca\n0.000000 0.000000 0.648773 Ca\n0.333334 0.666668 0.175137 Ca\n0.000000 0.000000 0.008810 Mg\n0.333334 0.666668 0.484546 Mg\n0.000000 0.000000 0.339797 Mg\n",
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{
"id": "jvasp-7680",
"created_at": "2022-09-04T14:37:03.525474Z",
"updated_at": "2022-09-04T14:37:03.525490Z",
"structure_string": "Rb1 Ce1 Se2\n1.0\n4.224951 0.014764 7.158286\n1.966190 3.739589 7.158286\n0.024346 0.014764 8.312080\nRb Ce Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500001 Ce\n0.234243 0.234242 0.234243 Se\n0.765758 0.765756 0.765758 Se\n",
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},
{
"id": "jvasp-123645",
"created_at": "2022-09-04T14:38:52.323904Z",
"updated_at": "2022-09-04T14:38:52.323929Z",
"structure_string": "Ba1 Se2\n1.0\n3.874543 -4.826761 -0.853514\n2.242829 3.884690 -0.000000\n-1.606742 0.927653 4.048034\nBa Se\n1 2\ndirect\n0.000000 0.333336 0.166667 Ba\n0.747917 0.707290 0.457671 Se\n0.252083 -0.040626 0.875662 Se\n",
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{
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"updated_at": "2022-09-04T14:36:47.544522Z",
"structure_string": "Pm3 Ho1\n1.0\n4.614200 -0.026950 -4.144773\n-0.935251 4.518503 -4.144773\n0.022074 0.026950 6.202378\nPm Ho\n3 1\ndirect\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n0.000000 0.000000 0.000000 Ho\n",
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{
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"structure_string": "Ba1 Mg2 Sb2\n1.0\n2.398403 -4.154157 0.000000\n2.398403 4.154157 0.000000\n0.000000 0.000000 8.166942\nBa Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.624659 Mg\n0.333332 0.666666 0.375341 Mg\n0.666666 0.333332 0.267618 Sb\n0.333332 0.666666 0.732382 Sb\n",
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