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{
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"results": [
{
"id": "jvasp-86824",
"created_at": "2022-09-04T14:35:56.008261Z",
"updated_at": "2022-09-04T14:35:56.008285Z",
"structure_string": "Sb4 I12\n1.0\n7.341914 0.093416 0.000000\n-2.962922 8.099434 0.000000\n0.000000 0.000000 10.980844\nSb I\n4 12\ndirect\n0.040517 0.667078 0.673872 Sb\n0.040517 0.167078 0.826127 Sb\n0.959482 0.832922 0.173872 Sb\n0.959482 0.332922 0.326128 Sb\n0.225915 0.699239 0.442130 I\n0.340172 0.458665 0.742091 I\n0.340172 0.958665 0.757908 I\n0.777706 0.325269 0.907148 I\n0.222294 0.674731 0.092852 I\n0.777706 0.825268 0.592852 I\n0.774085 0.300761 0.557869 I\n0.225914 0.199239 0.057869 I\n0.774085 0.800761 0.942130 I\n0.222294 0.174732 0.407148 I\n0.659827 0.041335 0.242092 I\n0.659827 0.541335 0.257908 I\n",
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{
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"structure_string": "Ba4 In1 Ge1\n1.0\n0.000000 4.973344 4.973344\n4.973344 -0.000000 4.973344\n4.973344 4.973344 0.000000\nBa In Ge\n4 1 1\ndirect\n0.126988 0.624337 0.624337 Ba\n0.624337 0.624337 0.624337 Ba\n0.624337 0.126988 0.624337 Ba\n0.624337 0.624337 0.126988 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ge\n",
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{
"id": "jvasp-120061",
"created_at": "2022-09-04T14:38:37.866852Z",
"updated_at": "2022-09-04T14:38:37.866877Z",
"structure_string": "Ca1 Br2\n1.0\n5.394567 -0.000000 -0.000000\n-2.697283 4.671832 0.000000\n0.000000 0.000000 4.881106\nCa Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
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"volume_molar": 24.69401429210832,
"formula_full": "Ca1 Br2",
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"spacegroup": 191
},
{
"id": "jvasp-60703",
"created_at": "2022-09-04T14:35:50.357945Z",
"updated_at": "2022-09-04T14:35:50.357971Z",
"structure_string": "Hg8 I16\n1.0\n8.443064 -0.000000 -2.823481\n-0.944212 8.390101 -2.823481\n-0.038137 -0.042670 13.921361\nHg I\n8 16\ndirect\n0.185319 0.689157 0.378315 Hg\n0.189157 0.685319 0.878315 Hg\n0.692995 0.689157 0.378315 Hg\n0.307004 0.310843 0.621685 Hg\n0.810843 0.314681 0.121685 Hg\n0.189157 0.192996 0.878315 Hg\n0.814680 0.310843 0.621685 Hg\n0.810843 0.807004 0.121685 Hg\n0.489298 0.239299 0.478598 I\n0.609572 0.359572 0.250000 I\n0.738159 0.488159 0.976318 I\n0.739298 0.989299 0.978598 I\n0.140428 0.890428 0.250000 I\n0.609572 0.890428 0.250000 I\n0.260701 0.010701 0.021402 I\n0.988159 0.238159 0.476318 I\n0.140428 0.359572 0.250000 I\n0.390427 0.640428 0.750000 I\n0.261841 0.511841 0.023682 I\n0.390427 0.109572 0.750000 I\n0.011841 0.761841 0.523682 I\n0.510701 0.760701 0.521402 I\n0.859572 0.109572 0.750000 I\n0.859572 0.640428 0.750000 I\n",
"nsites": 24,
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"elements": [
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"density": 6.133724676968905,
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{
"id": "jvasp-66141",
"created_at": "2022-09-04T14:35:57.162878Z",
"updated_at": "2022-09-04T14:35:57.162909Z",
"structure_string": "Ba1 Nb1 Te1\n1.0\n0.000000 3.947415 3.947415\n3.947415 0.000000 3.947415\n3.947415 3.947415 0.000000\nBa Nb Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500001 0.500001 Te\n",
"nsites": 3,
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"elements": [
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"formula_full": "Ba1 Nb1 Te1",
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{
"id": "jvasp-29566",
"created_at": "2022-09-04T14:37:19.494670Z",
"updated_at": "2022-09-04T14:37:19.494686Z",
"structure_string": "Hg8 I16\n1.0\n8.912005 0.000000 -0.000000\n0.000000 8.912005 -0.000000\n-0.000000 -0.000000 12.391895\nHg I\n8 16\ndirect\n-0.001797 0.750000 0.122770 Hg\n0.250000 0.001797 0.377230 Hg\n0.498203 0.250000 0.877230 Hg\n0.250000 0.498203 0.377230 Hg\n0.501797 0.750000 0.122770 Hg\n0.750000 -0.001797 0.622770 Hg\n0.750000 0.501797 0.622770 Hg\n0.001797 0.250000 0.877230 Hg\n0.516636 0.016636 0.250000 I\n0.983364 0.483364 0.250000 I\n0.750000 0.750000 0.476432 I\n0.250000 0.750000 0.980632 I\n0.483364 0.983364 0.750000 I\n0.250000 0.750000 0.519367 I\n0.250000 0.250000 0.023567 I\n0.483364 0.516636 0.750000 I\n0.016636 0.516636 0.750000 I\n0.750000 0.250000 0.480632 I\n0.516636 0.483364 0.250000 I\n0.983364 0.016636 0.250000 I\n0.250000 0.250000 0.523567 I\n0.750000 0.250000 0.019367 I\n0.016636 0.983364 0.750000 I\n0.750000 0.750000 0.976432 I\n",
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"elements": [
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"I"
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"chemical_system": "Hg-I",
"density": 6.133209874478659,
"density_atomic": 0.02438499516801011,
"volume": 984.2118005208723,
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"formula_full": "Hg8 I16",
"formula_reduced": "HgI2",
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"spacegroup": 137
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{
"id": "jvasp-66244",
"created_at": "2022-09-04T14:35:42.679168Z",
"updated_at": "2022-09-04T14:35:42.679196Z",
"structure_string": "Ba1 Zn1 Bi1\n1.0\n0.000000 3.947518 3.947518\n3.947518 0.000000 3.947518\n3.947518 3.947518 0.000000\nBa Zn Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n",
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"elements": [
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"Zn",
"Bi"
],
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"density": 5.557057768471473,
"density_atomic": 0.024384783388335964,
"volume": 123.02754353909896,
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"formula_full": "Ba1 Zn1 Bi1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-86222",
"created_at": "2022-09-04T14:36:02.102396Z",
"updated_at": "2022-09-04T14:36:02.102413Z",
"structure_string": "Sb4 I12\n1.0\n7.342832 0.093759 0.000000\n-2.963133 8.099893 0.000000\n0.000000 0.000000 10.981405\nSb I\n4 12\ndirect\n0.040535 0.667055 0.673854 Sb\n0.040535 0.167055 0.826145 Sb\n0.959465 0.832945 0.173854 Sb\n0.959465 0.332945 0.326145 Sb\n0.225966 0.699260 0.442152 I\n0.340141 0.458592 0.742050 I\n0.340141 0.958591 0.757949 I\n0.777779 0.325291 0.907094 I\n0.222221 0.674709 0.092905 I\n0.777779 0.825291 0.592905 I\n0.774034 0.300740 0.557847 I\n0.225966 0.199260 0.057848 I\n0.774034 0.800740 0.942152 I\n0.222221 0.174709 0.407094 I\n0.659859 0.041408 0.242051 I\n0.659859 0.541408 0.257949 I\n",
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"spacegroup": 14
},
{
"id": "jvasp-64275",
"created_at": "2022-09-04T14:36:00.386368Z",
"updated_at": "2022-09-04T14:36:00.386396Z",
"structure_string": "Ba4 Sb1 Pb1\n1.0\n0.000000 4.973956 4.973956\n4.973956 0.000000 4.973956\n4.973956 4.973956 0.000000\nBa Sb Pb\n4 1 1\ndirect\n0.123087 0.625638 0.625638 Ba\n0.625638 0.625638 0.625638 Ba\n0.625638 0.123087 0.625638 Ba\n0.625638 0.625638 0.123087 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pb\n",
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"formula_full": "Ba4 Sb1 Pb1",
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{
"id": "jvasp-63887",
"created_at": "2022-09-04T14:36:04.887669Z",
"updated_at": "2022-09-04T14:36:04.887688Z",
"structure_string": "Ba4 Mg1 Mn1\n1.0\n0.000000 4.974236 4.974236\n4.974236 0.000000 4.974236\n4.974236 4.974236 0.000000\nBa Mg Mn\n4 1 1\ndirect\n0.122567 0.625812 0.625812 Ba\n0.625812 0.625812 0.625812 Ba\n0.625812 0.122567 0.625812 Ba\n0.625812 0.625812 0.122567 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mn\n",
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"volume": 246.15527930743377,
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{
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"created_at": "2022-09-04T14:38:17.630916Z",
"updated_at": "2022-09-04T14:38:17.630940Z",
"structure_string": "Rb2 Ga1 Hg1 I6\n1.0\n7.223212 -0.000000 4.170324\n2.407737 6.810110 4.170324\n-0.000000 -0.000000 8.340647\nRb Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756859 0.243141 0.243140 I\n0.243141 0.243141 0.756860 I\n0.243141 0.756859 0.756859 I\n0.243141 0.756859 0.243140 I\n0.756859 0.243141 0.756859 I\n0.756859 0.756859 0.243140 I\n",
"nsites": 10,
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"formula_full": "Rb2 Ga1 Hg1 I6",
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{
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"created_at": "2022-09-04T14:36:05.797173Z",
"updated_at": "2022-09-04T14:36:05.797192Z",
"structure_string": "Ba4 Zn1 Se1\n1.0\n0.000000 4.974452 4.974452\n4.974452 -0.000000 4.974452\n4.974452 4.974452 -0.000000\nBa Zn Se\n4 1 1\ndirect\n0.128699 0.623767 0.623767 Ba\n0.623767 0.623767 0.623767 Ba\n0.623767 0.128699 0.623767 Ba\n0.623767 0.623767 0.128699 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Se\n",
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}