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{
"id": "jvasp-29006",
"created_at": "2022-09-04T14:37:47.126834Z",
"updated_at": "2022-09-04T14:37:47.126864Z",
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{
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"structure_string": "Tl2 Cu2 Sn1 Te4\n1.0\n6.810576 -0.031379 5.122545\n4.048096 5.482164 1.856029\n-0.004087 0.008157 6.978574\nTl Cu Sn Te\n2 2 1 4\ndirect\n0.499067 0.000933 0.000933 Tl\n0.999068 0.500933 0.500933 Tl\n0.515448 0.484553 0.703349 Cu\n0.296652 0.703349 0.484552 Cu\n0.990118 0.009882 0.009883 Sn\n0.930807 0.069193 0.440402 Te\n0.559599 0.440401 0.069193 Te\n0.431526 0.918279 0.568474 Te\n0.081721 0.568475 0.918279 Te\n",
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{
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"structure_string": "Na1 Ca1 Sb1\n1.0\n4.310521 -0.000000 2.488681\n1.436840 4.063999 2.488681\n-0.000000 -0.000000 4.977361\nNa Ca Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sb\n",
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},
{
"id": "jvasp-104995",
"created_at": "2022-09-04T14:36:57.987116Z",
"updated_at": "2022-09-04T14:36:57.987148Z",
"structure_string": "Zn1 Bi3\n1.0\n4.880597 0.000000 0.000000\n0.000000 4.880597 0.000000\n-0.000000 0.000000 4.880597\nZn Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"volume": 116.25692880844052,
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},
{
"id": "jvasp-28746",
"created_at": "2022-09-04T14:37:45.531689Z",
"updated_at": "2022-09-04T14:37:45.531719Z",
"structure_string": "Te2 Mo4 Se4 S2\n1.0\n3.348235 -0.000000 -0.000000\n-1.674117 2.899663 0.000020\n-0.000000 -0.000169 35.920483\nTe Mo Se S\n2 4 4 2\ndirect\n0.666640 0.333278 0.415293 Te\n0.666631 0.333260 0.521120 Te\n0.333355 0.666710 0.098259 Mo\n0.333301 0.666602 0.468223 Mo\n0.666680 0.333361 0.274524 Mo\n0.666661 0.333321 0.661943 Mo\n0.333346 0.666693 0.320909 Se\n0.333326 0.666655 0.708282 Se\n0.333347 0.666695 0.228121 Se\n0.333327 0.666655 0.615523 Se\n0.666694 0.333384 0.056026 S\n0.666690 0.333376 0.140525 S\n",
"nsites": 12,
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],
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"formula_full": "Te2 Mo4 Se4 S2",
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{
"id": "jvasp-2556",
"created_at": "2022-09-04T14:36:47.636451Z",
"updated_at": "2022-09-04T14:36:47.636470Z",
"structure_string": "Ca1 Cd2 Sb2\n1.0\n2.349967 -4.070262 0.000000\n2.349967 4.070262 0.000000\n0.000000 0.000000 7.595488\nCa Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.369562 Cd\n0.333334 0.666668 0.630439 Cd\n0.666668 0.333334 0.766857 Sb\n0.333334 0.666668 0.233144 Sb\n",
"nsites": 5,
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"elements": [
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"Cd",
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],
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"volume": 145.30140260459544,
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"formula_full": "Ca1 Cd2 Sb2",
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},
{
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"created_at": "2022-09-04T14:36:47.009460Z",
"updated_at": "2022-09-04T14:36:47.009481Z",
"structure_string": "Ca10 Mn2 Pb6\n1.0\n4.701436 -8.143127 -0.000000\n4.701436 8.143127 0.000000\n0.000000 0.000000 6.831467\nCa Mn Pb\n10 2 6\ndirect\n0.000000 0.708828 0.750000 Ca\n0.666667 0.333333 0.000000 Ca\n0.708828 0.708828 0.250000 Ca\n0.291173 0.000000 0.250000 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.000000 Ca\n0.291173 0.291173 0.750000 Ca\n0.708828 0.000000 0.750000 Ca\n0.000000 0.291173 0.250000 Ca\n0.333333 0.666667 0.500000 Ca\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.635968 0.250000 Pb\n0.364033 0.364033 0.250000 Pb\n0.635968 0.635968 0.750000 Pb\n0.000000 0.364033 0.750000 Pb\n0.635968 0.000000 0.250000 Pb\n0.364033 0.000000 0.750000 Pb\n",
"nsites": 18,
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"volume": 523.0770996804042,
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"formula_full": "Ca10 Mn2 Pb6",
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"spacegroup": 193
},
{
"id": "jvasp-120306",
"created_at": "2022-09-04T14:38:53.930649Z",
"updated_at": "2022-09-04T14:38:53.930678Z",
"structure_string": "Li1 Tl1 Sb1\n1.0\n3.185528 -0.000000 0.000000\n-0.000000 3.185528 0.000000\n0.000000 0.000000 8.590886\nLi Tl Sb\n1 1 1\ndirect\n0.000000 0.000000 0.322999 Li\n0.000000 0.000000 0.644260 Tl\n0.000000 0.000000 0.007042 Sb\n",
"nsites": 3,
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"elements": [
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],
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"volume": 87.17677717068852,
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"formula_full": "Li1 Tl1 Sb1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-109728",
"created_at": "2022-09-04T14:38:47.397786Z",
"updated_at": "2022-09-04T14:38:47.397801Z",
"structure_string": "La2 Mn1 Sb4\n1.0\n4.493026 0.000000 0.000000\n0.000000 4.493026 0.000000\n0.000000 0.000000 10.076132\nLa Mn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.754511 La\n-0.000000 0.500000 0.245489 La\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.136146 Sb\n-0.000000 0.500000 0.863853 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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},
{
"id": "jvasp-3543",
"created_at": "2022-09-04T14:35:59.163751Z",
"updated_at": "2022-09-04T14:35:59.163775Z",
"structure_string": "Ba2 I2 F2\n1.0\n4.685610 0.000000 0.000000\n0.000000 4.685610 0.000000\n0.000000 0.000000 7.940178\nBa I F\n2 2 2\ndirect\n0.000000 0.500000 0.827428 Ba\n0.500000 0.000000 0.172572 Ba\n0.500000 0.000000 0.650597 I\n0.000000 0.500000 0.349403 I\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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},
{
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"updated_at": "2022-09-04T14:36:21.320086Z",
"structure_string": "Ca4 Be1 V1\n1.0\n-0.000000 4.433804 4.433804\n4.433804 0.000000 4.433804\n4.433804 4.433804 0.000000\nCa Be V\n4 1 1\ndirect\n0.126318 0.624560 0.624560 Ca\n0.624560 0.624560 0.624560 Ca\n0.624560 0.126318 0.624560 Ca\n0.624560 0.624560 0.126318 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n",
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{
"id": "jvasp-118122",
"created_at": "2022-09-04T14:38:31.414436Z",
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"structure_string": "Sr1 P1 Cl1\n1.0\n5.309529 0.000000 0.000000\n-2.654764 4.598187 -0.000000\n0.000000 0.000000 3.570061\nSr P Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333334 0.666667 0.000000 P\n0.000000 0.000000 0.000000 Cl\n",
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}