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{
"id": "jvasp-89614",
"created_at": "2022-09-04T14:36:04.873737Z",
"updated_at": "2022-09-04T14:36:04.873764Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.113188 0.000000 0.000000\n-0.000000 8.351051 0.000000\n0.000000 0.000000 15.567650\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.628671 0.097562 Na\n0.750000 0.871329 0.597562 Na\n0.750000 0.371329 0.902438 Na\n0.250000 0.128671 0.402438 Na\n0.250000 0.656635 0.405996 Hg\n0.750000 0.843365 0.905996 Hg\n0.750000 0.343365 0.594004 Hg\n0.250000 0.156635 0.094004 Hg\n0.750000 0.391554 0.085647 Cl\n0.750000 0.349420 0.436481 Cl\n0.250000 0.108446 0.585647 Cl\n0.750000 0.891554 0.414353 Cl\n0.250000 0.650580 0.563519 Cl\n0.750000 0.458481 0.732617 Cl\n0.250000 0.541519 0.267383 Cl\n0.250000 0.608446 0.914353 Cl\n0.750000 0.849419 0.063519 Cl\n0.750000 -0.041519 0.767383 Cl\n0.250000 0.150580 0.936481 Cl\n0.250000 0.041519 0.232617 Cl\n",
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{
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"structure_string": "Rb2 Na1 Pr1 F6\n1.0\n5.571222 0.000000 3.216546\n1.857074 5.252599 3.216546\n-0.000000 0.000000 6.433093\nRb Na Pr F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pr\n0.251914 0.251914 0.748086 F\n0.251913 0.748086 0.748086 F\n0.748085 0.748086 0.251915 F\n0.251913 0.748086 0.251915 F\n0.748086 0.251914 0.748086 F\n0.748086 0.251914 0.251915 F\n",
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"density_atomic": 0.05311968109956378,
"volume": 188.25414221250134,
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"formula_full": "Rb2 Na1 Pr1 F6",
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{
"id": "jvasp-64209",
"created_at": "2022-09-04T14:36:04.979338Z",
"updated_at": "2022-09-04T14:36:04.979358Z",
"structure_string": "Ba4 Mg1 Se1\n1.0\n-0.000000 5.067230 5.067230\n5.067230 -0.000000 5.067230\n5.067230 5.067230 0.000000\nBa Mg Se\n4 1 1\ndirect\n0.120989 0.626337 0.626337 Ba\n0.626337 0.626337 0.626337 Ba\n0.626337 0.120989 0.626337 Ba\n0.626337 0.626337 0.120989 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.023057350585119204,
"volume": 260.2207039291102,
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"formula_full": "Ba4 Mg1 Se1",
"formula_reduced": "Ba4MgSe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"density": 2.0786104965120438,
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"volume": 229.38969946173737,
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"formula_full": "Rb1 Mg6 Fe1",
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"spacegroup": 38
},
{
"id": "jvasp-64471",
"created_at": "2022-09-04T14:36:05.031724Z",
"updated_at": "2022-09-04T14:36:05.031760Z",
"structure_string": "Ba4 In1 Hg1\n1.0\n0.000000 5.049708 5.049708\n5.049708 -0.000000 5.049708\n5.049708 5.049708 0.000000\nBa In Hg\n4 1 1\ndirect\n0.124152 0.625283 0.625283 Ba\n0.625283 0.625283 0.625283 Ba\n0.625283 0.124152 0.625283 Ba\n0.625283 0.625283 0.124152 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-71450",
"created_at": "2022-09-04T14:36:05.104620Z",
"updated_at": "2022-09-04T14:36:05.104632Z",
"structure_string": "Be1 In2 Hg1\n1.0\n3.178889 0.000000 -0.000000\n-0.000000 3.178889 0.000000\n-0.000000 0.000000 8.607737\nBe In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.532839 Be\n0.000000 0.000000 0.980252 In\n0.500000 0.500000 0.304360 In\n0.500000 0.500000 0.682550 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-67627",
"created_at": "2022-09-04T14:36:05.215000Z",
"updated_at": "2022-09-04T14:36:05.215026Z",
"structure_string": "Be1 Tl1 Cd4\n1.0\n0.000000 4.135936 4.135936\n4.135936 0.000000 4.135936\n4.135936 4.135936 -0.000000\nBe Tl Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n0.123500 0.625501 0.625501 Cd\n0.625501 0.625501 0.625501 Cd\n0.625501 0.123500 0.625501 Cd\n0.625501 0.625501 0.123500 Cd\n",
"nsites": 6,
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],
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"density_atomic": 0.04240331648032102,
"volume": 141.4983661191818,
"volume_molar": 14.202051301328797,
"formula_full": "Be1 Tl1 Cd4",
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"spacegroup": 216
},
{
"id": "jvasp-92887",
"created_at": "2022-09-04T14:36:07.710733Z",
"updated_at": "2022-09-04T14:36:07.710755Z",
"structure_string": "Mg6 Cd1 Mo1\n1.0\n5.978774 0.846461 0.000000\n-2.256331 5.601001 0.000000\n0.000000 0.000000 4.553242\nMg Cd Mo\n6 1 1\ndirect\n0.159163 0.888286 0.250000 Mg\n0.611714 0.340837 0.250000 Mg\n0.660247 0.839753 0.250000 Mg\n0.377185 0.647111 0.750000 Mg\n0.852888 0.122815 0.750000 Mg\n0.894315 0.605684 0.750000 Mg\n0.330762 0.169238 0.750000 Cd\n0.113725 0.386275 0.250000 Mo\n",
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"density": 3.649110208547646,
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"formula_full": "Mg6 Cd1 Mo1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-67553",
"created_at": "2022-09-04T14:36:05.250771Z",
"updated_at": "2022-09-04T14:36:05.250787Z",
"structure_string": "K4 Be1 Pb1\n1.0\n0.000000 4.934353 4.934353\n4.934353 -0.000000 4.934353\n4.934353 4.934353 0.000000\nK Be Pb\n4 1 1\ndirect\n0.125500 0.624833 0.624833 K\n0.624833 0.624833 0.624833 K\n0.624833 0.125500 0.624833 K\n0.624833 0.624833 0.125500 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"volume": 240.28167004302077,
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"spacegroup": 216
},
{
"id": "jvasp-64755",
"created_at": "2022-09-04T14:36:05.191152Z",
"updated_at": "2022-09-04T14:36:05.191177Z",
"structure_string": "Ba4 Ga1 Te1\n1.0\n-0.000000 4.984346 4.984346\n4.984346 0.000000 4.984346\n4.984346 4.984346 -0.000000\nBa Ga Te\n4 1 1\ndirect\n0.122647 0.625785 0.625785 Ba\n0.625785 0.625785 0.625785 Ba\n0.625785 0.122647 0.625785 Ba\n0.625785 0.625785 0.122647 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-64588",
"created_at": "2022-09-04T14:35:56.218784Z",
"updated_at": "2022-09-04T14:35:56.218807Z",
"structure_string": "Ba4 Zn1 In1\n1.0\n0.000000 5.062657 5.062657\n5.062657 -0.000000 5.062657\n5.062657 5.062657 0.000000\nBa Zn In\n4 1 1\ndirect\n0.126201 0.624600 0.624600 Ba\n0.624600 0.624600 0.624600 Ba\n0.624600 0.126201 0.624600 Ba\n0.624600 0.624600 0.126201 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 In\n",
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{
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"created_at": "2022-09-04T14:35:56.205015Z",
"updated_at": "2022-09-04T14:35:56.205043Z",
"structure_string": "Mg7 Fe1\n1.0\n6.206290 -0.000000 -0.000000\n-3.103146 5.374804 -0.000000\n-0.000000 -0.000000 4.902065\nMg Fe\n7 1\ndirect\n0.167215 0.833607 0.250000 Mg\n0.666392 0.332784 0.250000 Mg\n0.666391 0.833607 0.250000 Mg\n0.324738 0.175262 0.749999 Mg\n0.324737 0.649476 0.749999 Mg\n0.850523 0.175262 0.749999 Mg\n0.833332 0.666666 0.749999 Mg\n0.166667 0.333333 0.250000 Fe\n",
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}