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{
"id": "jvasp-114960",
"created_at": "2022-09-04T14:38:44.331801Z",
"updated_at": "2022-09-04T14:38:44.331827Z",
"structure_string": "Ga1 I2\n1.0\n5.654107 0.000000 0.000000\n0.000000 4.370648 0.000000\n0.000000 0.000000 6.501169\nGa I\n1 2\ndirect\n0.428437 0.000000 0.000000 Ga\n-0.014218 0.000000 0.746606 I\n-0.014218 0.000000 0.253393 I\n",
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{
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"structure_string": "K3 Tm1\n1.0\n5.983940 -0.000000 0.000000\n-0.000000 5.983940 -0.000000\n0.000000 -0.000000 5.983940\nK Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tm\n",
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{
"id": "jvasp-114088",
"created_at": "2022-09-04T14:38:50.017348Z",
"updated_at": "2022-09-04T14:38:50.017382Z",
"structure_string": "Ba2 Te2\n1.0\n5.985515 0.581247 -0.120127\n0.691430 -6.846113 1.311480\n2.315464 6.180867 -6.368303\nBa Te\n2 2\ndirect\n0.129687 0.051273 -0.018528 Ba\n0.793847 0.224772 0.654996 Ba\n0.793603 0.725668 0.655884 Te\n0.129933 0.550389 0.980584 Te\n",
"nsites": 4,
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"elements": [
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"volume": 214.344936540077,
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"formula_full": "Ba2 Te2",
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"spacegroup": 63
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{
"id": "jvasp-117977",
"created_at": "2022-09-04T14:38:49.270126Z",
"updated_at": "2022-09-04T14:38:49.270154Z",
"structure_string": "Ca1 Ga1 N1\n1.0\n4.857030 -0.000000 -0.000000\n-0.000000 4.857030 0.000000\n-0.000000 -0.000000 6.815813\nCa Ga N\n1 1 1\ndirect\n0.000000 0.000000 0.414806 Ca\n0.000000 0.000000 -0.031496 Ga\n0.000000 0.000000 0.712324 N\n",
"nsites": 3,
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"elements": [
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"Ga",
"N"
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"density": 1.2786082865408257,
"density_atomic": 0.01865786800282747,
"volume": 160.7900752403957,
"volume_molar": 32.27668219695513,
"formula_full": "Ca1 Ga1 N1",
"formula_reduced": "CaGaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4521986649999996,
"spacegroup": 99
},
{
"id": "jvasp-38185",
"created_at": "2022-09-04T14:37:56.093727Z",
"updated_at": "2022-09-04T14:37:56.093747Z",
"structure_string": "Rb3 V1\n1.0\n0.000000 4.751022 4.751022\n4.751022 0.000000 4.751022\n4.751022 4.751022 -0.000000\nRb V\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 V\n",
"nsites": 4,
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"elements": [
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"V"
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"density": 2.3794905719389203,
"density_atomic": 0.018649572081737616,
"volume": 214.4821330199289,
"volume_molar": 32.2910398887764,
"formula_full": "Rb3 V1",
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"spacegroup": 225
},
{
"id": "jvasp-80484",
"created_at": "2022-09-04T14:37:18.397526Z",
"updated_at": "2022-09-04T14:37:18.397550Z",
"structure_string": "Sr2 Mg2\n1.0\n5.949637 -0.000000 0.000000\n-2.974818 5.152536 -0.000000\n-0.000000 0.000000 7.004547\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.562516 Sr\n0.666667 0.333333 0.062515 Sr\n0.333333 0.666667 0.062485 Mg\n0.666667 0.333333 0.562485 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
],
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"density": 1.7310700333601636,
"density_atomic": 0.018628094545303318,
"volume": 214.72942335954139,
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"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
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"spacegroup": 194
},
{
"id": "jvasp-36483",
"created_at": "2022-09-04T14:37:33.659958Z",
"updated_at": "2022-09-04T14:37:33.659977Z",
"structure_string": "Ba3 Sb2\n1.0\n6.451010 -0.000000 -0.000000\n-0.000000 6.451010 -0.000000\n0.000000 -0.000000 6.451010\nBa Sb\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
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"elements": [
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"density": 4.054518727099508,
"density_atomic": 0.01862459591754034,
"volume": 268.46220031496534,
"volume_molar": 32.33434318072075,
"formula_full": "Ba3 Sb2",
"formula_reduced": "Ba3Sb2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4041660220000002,
"spacegroup": 221
},
{
"id": "jvasp-102801",
"created_at": "2022-09-04T14:38:46.959879Z",
"updated_at": "2022-09-04T14:38:46.959916Z",
"structure_string": "Ba1 Sr4\n1.0\n4.196868 -0.003157 16.969288\n2.064623 3.653908 16.969288\n-0.005414 -0.003157 17.480572\nBa Sr\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.598518 0.598517 0.598518 Sr\n0.199520 0.199519 0.199519 Sr\n0.800482 0.800480 0.800481 Sr\n0.401483 0.401482 0.401483 Sr\n",
"nsites": 5,
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"elements": [
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"Sr"
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"density": 3.015404255609237,
"density_atomic": 0.018613087636972486,
"volume": 268.6281877310967,
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"formula_full": "Ba1 Sr4",
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"formula_anonymous": "AB4",
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"spacegroup": 166
},
{
"id": "jvasp-117525",
"created_at": "2022-09-04T14:38:45.927892Z",
"updated_at": "2022-09-04T14:38:45.927912Z",
"structure_string": "Ba1 Cd1 Br1\n1.0\n4.153340 0.000000 0.000000\n0.000000 4.153340 0.000000\n0.000000 0.000000 9.362842\nBa Cd Br\n1 1 1\ndirect\n0.000000 0.000000 0.380497 Ba\n0.000000 0.000000 0.001330 Cd\n0.000000 0.000000 0.697348 Br\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.3891358220165397,
"density_atomic": 0.018574562387676737,
"volume": 161.51120749904422,
"volume_molar": 32.421440862560395,
"formula_full": "Ba1 Cd1 Br1",
"formula_reduced": "BaCdBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1469666666666667,
"spacegroup": 99
},
{
"id": "jvasp-108613",
"created_at": "2022-09-04T14:37:57.606664Z",
"updated_at": "2022-09-04T14:37:57.606684Z",
"structure_string": "Ba6 Ac2\n1.0\n8.528239 -0.000000 0.000000\n-4.264119 7.385672 0.000000\n-0.000000 -0.000000 6.841598\nBa Ac\n6 2\ndirect\n0.170144 0.340287 0.250000 Ba\n0.659713 0.829856 0.250000 Ba\n0.170143 0.829856 0.250000 Ba\n0.829856 0.659713 0.750000 Ba\n0.340287 0.170144 0.750000 Ba\n0.829856 0.170144 0.750000 Ba\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
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"elements": [
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"Ac"
],
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"density": 4.924476918596655,
"density_atomic": 0.018564491390766588,
"volume": 430.93020065063325,
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"formula_full": "Ba6 Ac2",
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"spacegroup": 194
},
{
"id": "jvasp-38193",
"created_at": "2022-09-04T14:38:02.072856Z",
"updated_at": "2022-09-04T14:38:02.072887Z",
"structure_string": "Rb3 Tl1\n1.0\n-3.033195 3.033195 5.857935\n3.033195 -3.033195 5.857935\n3.033195 3.033195 -5.857935\nRb Tl\n3 1\ndirect\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tl\n",
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"volume": 215.57837927814575,
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"formula_full": "Rb3 Tl1",
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{
"id": "jvasp-117619",
"created_at": "2022-09-04T14:38:36.198582Z",
"updated_at": "2022-09-04T14:38:36.198617Z",
"structure_string": "Ba1 Se2\n1.0\n5.273159 0.000000 0.000000\n0.000000 5.155720 0.000000\n0.000000 0.000000 5.947697\nBa Se\n1 2\ndirect\n0.466645 0.000000 0.000000 Ba\n-0.033322 0.000000 0.703175 Se\n-0.033322 0.000000 0.296825 Se\n",
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"volume": 161.6996298480772,
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}