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{
"id": "jvasp-119009",
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{
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"updated_at": "2022-09-04T14:38:53.778326Z",
"structure_string": "Mg2 Se1\n1.0\n3.667543 0.728190 0.563056\n1.061696 -5.541681 0.226224\n-1.326598 -0.393408 -3.533718\nMg Se\n2 1\ndirect\n0.696521 0.425696 0.378120 Mg\n0.360913 0.857544 0.706380 Mg\n0.028710 0.141590 0.042111 Se\n",
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{
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"created_at": "2022-09-04T14:38:53.795989Z",
"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "B2 I2\n1.0\n5.839080 1.330312 0.090861\n-0.508092 -5.948368 0.652795\n-1.658860 -2.418613 -2.996235\nB I\n2 2\ndirect\n0.893067 -0.005483 0.958558 B\n0.690158 0.197453 0.542249 B\n0.817961 0.568158 0.090133 I\n0.320176 0.070317 0.090251 I\n",
"nsites": 4,
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"elements": [
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"density": 4.194590820484423,
"density_atomic": 0.03668493650029375,
"volume": 109.03657963175077,
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"formula_full": "B2 I2",
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"spacegroup": 8
},
{
"id": "jvasp-121061",
"created_at": "2022-09-04T14:38:49.898734Z",
"updated_at": "2022-09-04T14:38:49.898760Z",
"structure_string": "Ge2 O2\n1.0\n4.313905 0.243113 -0.355677\n0.195562 -3.020758 -0.337027\n-0.436888 0.503534 -4.633657\nGe O\n2 2\ndirect\n0.935710 0.083541 0.020045 Ge\n0.452943 0.594449 0.517726 Ge\n0.693477 0.088901 0.669311 O\n0.695261 0.589367 0.169304 O\n",
"nsites": 4,
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"elements": [
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"volume": 61.8049646388811,
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"spacegroup": 31
},
{
"id": "jvasp-118615",
"created_at": "2022-09-04T14:38:49.899079Z",
"updated_at": "2022-09-04T14:38:49.899099Z",
"structure_string": "Li1 O1\n1.0\n3.216557 -0.000000 -0.000000\n-1.608278 2.785620 0.000000\n-0.000000 -0.000000 2.037252\nLi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666667 0.000000 O\n",
"nsites": 2,
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"elements": [
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"volume": 18.253992871151187,
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"formula_full": "Li1 O1",
"formula_reduced": "LiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.4440967499999999,
"spacegroup": 187
},
{
"id": "jvasp-117493",
"created_at": "2022-09-04T14:38:53.822748Z",
"updated_at": "2022-09-04T14:38:53.822768Z",
"structure_string": "B2 I1\n1.0\n4.025859 0.000000 -2.625510\n0.000000 3.551436 0.000000\n-2.127715 0.000000 5.535417\nB I\n2 1\ndirect\n-0.108037 0.000000 -0.096023 B\n0.216167 0.000000 -0.095950 B\n0.054089 0.000000 0.404039 I\n",
"nsites": 3,
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"elements": [
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"density": 4.15884034722906,
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"volume": 59.303552256705295,
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{
"id": "jvasp-118614",
"created_at": "2022-09-04T14:38:48.778555Z",
"updated_at": "2022-09-04T14:38:48.778589Z",
"structure_string": "Li2 O1\n1.0\n7.040120 1.089747 0.062432\n-2.580083 -1.855968 0.228493\n2.303039 -0.780688 -2.124271\nLi O\n2 1\ndirect\n0.373495 -0.084592 0.484916 Li\n-0.127630 0.413592 0.487185 Li\n0.122935 0.164484 -0.013975 O\n",
"nsites": 3,
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-118006",
"created_at": "2022-09-04T14:38:53.842471Z",
"updated_at": "2022-09-04T14:38:53.842506Z",
"structure_string": "Cd1 O2\n1.0\n3.561356 0.000000 0.000000\n0.000000 3.322274 0.000000\n0.000000 0.000000 4.017938\nCd O\n1 2\ndirect\n0.466664 0.000000 0.000000 Cd\n-0.033332 0.000000 0.679617 O\n-0.033332 0.000000 0.320382 O\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.06310549643563441,
"volume": 47.539440610532296,
"volume_molar": 9.542973433609529,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-120956",
"created_at": "2022-09-04T14:38:54.588782Z",
"updated_at": "2022-09-04T14:38:54.588804Z",
"structure_string": "Ca3 Te1\n1.0\n5.468893 0.663963 -0.490879\n-1.778909 -8.896018 -0.703982\n0.024716 -2.534299 -3.175565\nCa Te\n3 1\ndirect\n0.060298 0.564103 0.439748 Ca\n0.652668 0.748766 0.662912 Ca\n0.356531 0.156438 0.051450 Ca\n0.856621 0.156436 0.551392 Te\n",
"nsites": 4,
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"formula_full": "Ca3 Te1",
"formula_reduced": "Ca3Te",
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"spacegroup": 71
},
{
"id": "jvasp-123754",
"created_at": "2022-09-04T14:38:54.814524Z",
"updated_at": "2022-09-04T14:38:54.814551Z",
"structure_string": "Hf1 Ni1\n1.0\n1.736212 -3.007208 0.000000\n1.736212 3.007208 0.000000\n-0.000000 0.000000 3.337085\nHf Ni\n1 1\ndirect\n0.333333 0.666666 0.749999 Hf\n0.666666 0.333333 0.250000 Ni\n",
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"formula_full": "Hf1 Ni1",
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"spacegroup": 187
},
{
"id": "jvasp-111352",
"created_at": "2022-09-04T14:38:49.996757Z",
"updated_at": "2022-09-04T14:38:49.996779Z",
"structure_string": "Mo1 Ir1\n1.0\n2.787409 0.000000 0.000000\n-1.393705 2.413966 0.000000\n-0.000000 0.000000 4.479848\nMo Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666668 0.500000 Ir\n",
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{
"id": "jvasp-123868",
"created_at": "2022-09-04T14:38:54.632261Z",
"updated_at": "2022-09-04T14:38:54.632286Z",
"structure_string": "Ba1 Co1\n1.0\n1.893012 -3.278787 -0.000000\n1.893012 3.278787 0.000000\n0.000000 -0.000000 4.374575\nBa Co\n1 1\ndirect\n0.333333 0.666666 0.250000 Ba\n0.666666 0.333333 0.749999 Co\n",
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