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{
"id": "jvasp-69254",
"created_at": "2022-09-04T14:35:58.216816Z",
"updated_at": "2022-09-04T14:35:58.216841Z",
"structure_string": "Ba1 Hg1 Se2\n1.0\n4.426130 -0.000000 0.000000\n0.000000 4.426130 0.000000\n0.000000 -0.000000 7.070054\nBa Hg Se\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.826617 Se\n0.000000 0.000000 0.173383 Se\n",
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{
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"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
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{
"id": "jvasp-101494",
"created_at": "2022-09-04T14:36:38.580338Z",
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"structure_string": "K2 In1 Ga1 Br6\n1.0\n6.824750 -0.000000 3.940271\n2.274917 6.434436 3.940271\n-0.000000 -0.000000 7.880543\nK In Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 Ga\n0.743212 0.256788 0.256787 Br\n0.256788 0.256788 0.743212 Br\n0.256788 0.743213 0.743212 Br\n0.256788 0.743213 0.256787 Br\n0.743212 0.256788 0.743212 Br\n0.743213 0.743213 0.256787 Br\n",
"nsites": 10,
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"density_atomic": 0.028896591875132712,
"volume": 346.0615716625604,
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"formula_full": "K2 In1 Ga1 Br6",
"formula_reduced": "K2InGaBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-123181",
"created_at": "2022-09-04T14:38:55.486292Z",
"updated_at": "2022-09-04T14:38:55.486309Z",
"structure_string": "Ar1 Er3\n1.0\n3.449640 0.000000 0.000000\n-1.724820 2.987475 0.000000\n-0.000000 -0.000000 13.431211\nAr Er\n1 3\ndirect\n0.000000 0.000000 0.000000 Ar\n0.333334 0.666668 0.294659 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333334 0.705341 Er\n",
"nsites": 4,
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"elements": [
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"volume": 138.41820928712664,
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"spacegroup": 164
},
{
"id": "jvasp-1648",
"created_at": "2022-09-04T14:36:45.075901Z",
"updated_at": "2022-09-04T14:36:45.075935Z",
"structure_string": "K1 Er1 Te2\n1.0\n4.278901 -0.003486 7.358587\n1.981266 3.792570 7.358587\n-0.005760 -0.003486 8.512212\nK Er Te\n1 1 2\ndirect\n0.500001 0.499999 0.500000 K\n0.000000 0.000000 0.000000 Er\n0.263345 0.263344 0.263345 Te\n0.736656 0.736654 0.736656 Te\n",
"nsites": 4,
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],
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"density": 5.537214353010461,
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{
"id": "jvasp-105671",
"created_at": "2022-09-04T14:35:49.567933Z",
"updated_at": "2022-09-04T14:35:49.567955Z",
"structure_string": "Rb2 Ag1 Sb1 Br6\n1.0\n6.824367 -0.000000 3.940050\n2.274789 6.434074 3.940050\n0.000000 -0.000000 7.880100\nRb Ag Sb Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.748883 0.251117 0.251118 Br\n0.251118 0.251117 0.748882 Br\n0.251118 0.748882 0.748882 Br\n0.251118 0.748882 0.251118 Br\n0.748883 0.251117 0.748882 Br\n0.748883 0.748882 0.251118 Br\n",
"nsites": 10,
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"density": 4.22323836359327,
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"formula_full": "Rb2 Ag1 Sb1 Br6",
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{
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"created_at": "2022-09-04T14:35:50.284910Z",
"updated_at": "2022-09-04T14:35:50.284930Z",
"structure_string": "Ac2 Tl1 Sn1\n1.0\n5.028182 -0.000000 2.903023\n1.676061 4.740616 2.903023\n-0.000000 -0.000000 5.806045\nAc Tl Sn\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 Sn\n",
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{
"id": "jvasp-10706",
"created_at": "2022-09-04T14:37:10.544574Z",
"updated_at": "2022-09-04T14:37:10.544597Z",
"structure_string": "Rb8 As8\n1.0\n6.654369 0.000000 0.000000\n0.000000 6.917468 0.000000\n0.000000 0.000000 12.025400\nRb As\n8 8\ndirect\n0.096972 0.110748 0.416164 Rb\n0.596972 0.389252 0.583836 Rb\n0.903028 0.610748 0.083836 Rb\n0.403028 0.889252 0.916164 Rb\n0.671077 0.161690 0.218763 Rb\n0.171077 0.338311 0.781237 Rb\n0.328923 0.661690 0.281237 Rb\n0.828923 0.838311 0.718763 Rb\n0.172974 0.180024 0.110838 As\n0.672974 0.319976 0.889162 As\n0.827026 0.680025 0.389162 As\n0.327026 0.819976 0.610838 As\n0.407830 0.430199 0.029195 As\n0.907830 0.069801 0.970805 As\n0.592170 0.930199 0.470805 As\n0.092170 0.569802 0.529195 As\n",
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{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
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{
"id": "jvasp-79566",
"created_at": "2022-09-04T14:37:02.482945Z",
"updated_at": "2022-09-04T14:37:02.482975Z",
"structure_string": "Y1 Tl1 Te2\n1.0\n-2.216664 -3.839376 0.000000\n2.216664 -3.839376 0.000000\n0.000000 -2.559584 8.128255\nY Tl Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.238206 0.238206 0.285381 Te\n0.761794 0.761794 0.714618 Te\n",
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{
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"structure_string": "Ac1 Mg1\n1.0\n2.888383 0.000000 2.917639\n0.000000 4.105189 0.000000\n-0.028740 0.000000 5.804844\nAc Mg\n1 1\ndirect\n0.499995 0.000000 0.995579 Ac\n0.500002 0.500001 0.495600 Mg\n",
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{
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"created_at": "2022-09-04T14:38:50.753106Z",
"updated_at": "2022-09-04T14:38:50.753134Z",
"structure_string": "K2 Ag2\n1.0\n6.509758 0.332582 -0.126080\n-1.475912 -4.387836 -0.698259\n-0.135384 0.812295 -4.787030\nK Ag\n2 2\ndirect\n0.127043 0.114472 0.831000 K\n0.546844 0.823905 0.330797 K\n0.714179 0.407463 0.830843 Ag\n-0.040298 0.530846 0.330993 Ag\n",
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