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{
"id": "jvasp-78884",
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"updated_at": "2022-09-04T14:37:18.400078Z",
"structure_string": "Li1 Cd1 Sb1\n1.0\n3.953772 -0.000000 2.282711\n1.317924 3.727652 2.282711\n-0.000000 -0.000000 4.565422\nLi Cd Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sb\n",
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{
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"created_at": "2022-09-04T14:37:18.497542Z",
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"structure_string": "Ir1 C1\n1.0\n2.319438 2.319438 0.000000\n2.319438 0.000000 -2.319438\n0.000000 2.319438 -2.319438\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750001 0.750001 0.750001 C\n",
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{
"id": "jvasp-36408",
"created_at": "2022-09-04T14:37:18.721830Z",
"updated_at": "2022-09-04T14:37:18.721864Z",
"structure_string": "Sn1 C1\n1.0\n2.542644 2.542644 -0.000000\n2.542644 0.000000 -2.542644\n0.000000 2.542644 -2.542644\nSn C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.749999 0.749999 0.749999 C\n",
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"formula_full": "Sn1 C1",
"formula_reduced": "SnC",
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"spacegroup": 216
},
{
"id": "jvasp-36031",
"created_at": "2022-09-04T14:37:18.877634Z",
"updated_at": "2022-09-04T14:37:18.877669Z",
"structure_string": "Tl1 Sb1\n1.0\n3.380030 3.380030 -0.000000\n3.380030 0.000000 -3.380030\n0.000000 3.380030 -3.380030\nTl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Sb\n",
"nsites": 2,
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"elements": [
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"density": 7.012387358482959,
"density_atomic": 0.02589633682557489,
"volume": 77.23100041025207,
"volume_molar": 23.254797775307782,
"formula_full": "Tl1 Sb1",
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"formula_anonymous": "AB",
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"spacegroup": 216
},
{
"id": "jvasp-36286",
"created_at": "2022-09-04T14:37:19.068700Z",
"updated_at": "2022-09-04T14:37:19.068732Z",
"structure_string": "Li1 Cd1 As1\n1.0\n3.058325 3.058325 -0.000000\n3.058325 0.000000 -3.058325\n0.000000 3.058325 -3.058325\nLi Cd As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
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"elements": [
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"volume": 57.21117932187615,
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"formula_full": "Li1 Cd1 As1",
"formula_reduced": "LiCdAs",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-36266",
"created_at": "2022-09-04T14:37:19.152982Z",
"updated_at": "2022-09-04T14:37:19.153012Z",
"structure_string": "Ag1 C1\n1.0\n2.458047 2.458047 0.000000\n2.458047 0.000000 -2.458047\n-0.000000 2.458047 -2.458047\nAg C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750001 0.750001 0.750001 C\n",
"nsites": 2,
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"elements": [
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"density_atomic": 0.0673332305595558,
"volume": 29.703015634026546,
"volume_molar": 8.943787057229425,
"formula_full": "Ag1 C1",
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"spacegroup": 216
},
{
"id": "jvasp-36377",
"created_at": "2022-09-04T14:37:19.265500Z",
"updated_at": "2022-09-04T14:37:19.265518Z",
"structure_string": "Re1 C1\n1.0\n2.328698 2.328698 0.000000\n2.328698 0.000000 -2.328698\n0.000000 2.328698 -2.328698\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.750001 0.750001 0.750001 C\n",
"nsites": 2,
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"elements": [
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"volume": 25.256287127737615,
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"formula_full": "Re1 C1",
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{
"id": "jvasp-36380",
"created_at": "2022-09-04T14:37:19.917732Z",
"updated_at": "2022-09-04T14:37:19.917758Z",
"structure_string": "Rh1 C1\n1.0\n2.294126 2.294126 0.000000\n2.294126 0.000000 -2.294126\n-0.000000 2.294126 -2.294126\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.750001 0.750001 0.750001 C\n",
"nsites": 2,
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"elements": [
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{
"id": "jvasp-35983",
"created_at": "2022-09-04T14:37:19.338089Z",
"updated_at": "2022-09-04T14:37:19.338107Z",
"structure_string": "V1 N1\n1.0\n2.227453 2.227453 0.000000\n2.227453 0.000000 -2.227453\n-0.000000 2.227453 -2.227453\nV N\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.749999 0.749999 0.749999 N\n",
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"formula_full": "V1 N1",
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"spacegroup": 216
},
{
"id": "jvasp-11435",
"created_at": "2022-09-04T14:37:19.361610Z",
"updated_at": "2022-09-04T14:37:19.361630Z",
"structure_string": "Ga1 Si1 Mo4 S8\n1.0\n6.457674 -0.000000 3.728339\n2.152558 6.088353 3.728339\n0.000000 0.000000 7.456680\nGa Si Mo S\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Si\n0.782352 0.405882 0.405883 Mo\n0.405882 0.405882 0.782352 Mo\n0.405882 0.405882 0.405882 Mo\n0.405882 0.782352 0.405883 Mo\n0.136033 0.136033 0.136033 S\n0.591901 0.136033 0.136033 S\n0.136033 0.136033 0.591901 S\n0.136033 0.591901 0.136033 S\n0.625839 0.122481 0.625840 S\n0.625840 0.625839 0.625840 S\n0.625840 0.625839 0.122481 S\n0.122481 0.625839 0.625840 S\n",
"nsites": 14,
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"elements": [
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"density": 4.180575668970773,
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"volume": 293.17129646882665,
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"formula_full": "Ga1 Si1 Mo4 S8",
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"formula_anonymous": "ABC4D8",
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{
"id": "jvasp-11345",
"created_at": "2022-09-04T14:37:19.588438Z",
"updated_at": "2022-09-04T14:37:19.588455Z",
"structure_string": "Cr4 S8\n1.0\n6.702893 0.145730 0.103782\n3.223655 5.878228 0.104665\n3.223972 1.955144 5.544088\nCr S\n4 8\ndirect\n0.493352 0.519802 0.493466 Cr\n0.493417 0.993474 0.019775 Cr\n0.493450 0.993382 0.493331 Cr\n0.019780 0.993354 0.493413 Cr\n0.248344 0.748420 0.754948 S\n0.248277 0.254940 0.248424 S\n0.754952 0.748276 0.248346 S\n0.248419 0.748350 0.248284 S\n0.743452 0.769711 0.743384 S\n0.743405 0.243377 0.269740 S\n0.743419 0.243460 0.743490 S\n0.269732 0.243450 0.743409 S\n",
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{
"id": "jvasp-36282",
"created_at": "2022-09-04T14:37:19.703024Z",
"updated_at": "2022-09-04T14:37:19.703041Z",
"structure_string": "Ir1 N1\n1.0\n2.324992 2.324992 0.000000\n2.324992 0.000000 -2.324992\n-0.000000 2.324992 -2.324992\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.749999 0.749999 0.749999 N\n",
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