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{
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"results": [
{
"id": "jvasp-19815",
"created_at": "2022-09-04T14:37:00.524440Z",
"updated_at": "2022-09-04T14:37:00.524460Z",
"structure_string": "Th2 Mg4\n1.0\n5.240519 0.000000 3.025615\n1.746840 4.940808 3.025615\n0.000000 0.000000 6.051229\nTh Mg\n2 4\ndirect\n0.875000 0.875000 0.875001 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
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{
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"created_at": "2022-09-04T14:37:32.245711Z",
"updated_at": "2022-09-04T14:37:32.245724Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.151187 0.036283\n6.792156 0.000000 0.000000\n0.000000 -2.042903 -9.941585\nTi Br\n4 16\ndirect\n0.630655 0.421047 0.750186 Ti\n0.869346 0.921047 0.249815 Ti\n0.369345 0.578954 0.249814 Ti\n0.130655 0.078953 0.750186 Ti\n0.051274 0.082546 0.190445 Br\n0.448727 0.582546 0.809556 Br\n0.196193 0.914325 0.572329 Br\n0.303808 0.414325 0.427672 Br\n0.803808 0.085675 0.427672 Br\n0.696193 0.585676 0.572329 Br\n0.072416 0.403150 0.687857 Br\n0.927584 0.596851 0.312144 Br\n0.551274 0.417454 0.190445 Br\n0.572416 0.096851 0.687857 Br\n0.310481 0.077662 0.934567 Br\n0.189520 0.577662 0.065433 Br\n0.689520 0.922339 0.065434 Br\n0.810481 0.422338 0.934567 Br\n0.427584 0.903150 0.312144 Br\n0.948727 0.917454 0.809556 Br\n",
"nsites": 20,
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"formula_full": "Ti4 Br16",
"formula_reduced": "TiBr4",
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"spacegroup": 14
},
{
"id": "jvasp-5368",
"created_at": "2022-09-04T14:36:31.502478Z",
"updated_at": "2022-09-04T14:36:31.502508Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.150710 0.036075\n6.791957 0.000000 0.000000\n0.000000 -2.042607 -9.940887\nTi Br\n4 16\ndirect\n0.630631 0.421038 0.750197 Ti\n0.869369 0.921038 0.249804 Ti\n0.369368 0.578963 0.249804 Ti\n0.130631 0.078962 0.750197 Ti\n0.051312 0.082532 0.190440 Br\n0.448688 0.582532 0.809561 Br\n0.196156 0.914345 0.572305 Br\n0.303844 0.414345 0.427695 Br\n0.803844 0.085655 0.427696 Br\n0.696156 0.585655 0.572306 Br\n0.072381 0.403169 0.687878 Br\n0.927619 0.596831 0.312123 Br\n0.551312 0.417468 0.190440 Br\n0.572381 0.096831 0.687878 Br\n0.310474 0.077656 0.934580 Br\n0.189526 0.577657 0.065421 Br\n0.689526 0.922344 0.065421 Br\n0.810474 0.422344 0.934580 Br\n0.427619 0.903169 0.312123 Br\n0.948688 0.917468 0.809561 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
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"chemical_system": "Br-Ti",
"density": 3.5640772994329373,
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"volume": 684.8559405919248,
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"formula_full": "Ti4 Br16",
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"spacegroup": 14
},
{
"id": "jvasp-79527",
"created_at": "2022-09-04T14:36:43.163128Z",
"updated_at": "2022-09-04T14:36:43.163159Z",
"structure_string": "Sn2 S2\n1.0\n-2.954018 -2.979371 0.576558\n2.905345 -2.877846 0.015514\n-0.628868 -0.602968 5.942405\nSn S\n2 2\ndirect\n0.710844 0.750011 0.755539 Sn\n0.289157 0.249990 0.244461 Sn\n0.839089 0.750006 0.297605 S\n0.160911 0.249995 0.702396 S\n",
"nsites": 4,
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"elements": [
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"density": 5.012185377235164,
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"volume": 99.90363840242618,
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"formula_full": "Sn2 S2",
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"formula_anonymous": "AB",
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"spacegroup": 11
},
{
"id": "jvasp-114974",
"created_at": "2022-09-04T14:38:44.336672Z",
"updated_at": "2022-09-04T14:38:44.336702Z",
"structure_string": "Ge2 Cl1\n1.0\n5.843149 0.000000 -0.020440\n0.000000 3.021709 0.000000\n0.014305 0.000000 4.346155\nGe Cl\n2 1\ndirect\n-0.147187 0.000000 -0.033596 Ge\n0.084657 0.000000 0.466427 Ge\n0.462531 0.000000 -0.032831 Cl\n",
"nsites": 3,
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"elements": [
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"formula_full": "Ge2 Cl1",
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},
{
"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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"volume": 87.17677717068852,
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"formula_full": "Li1 Tl1 Sb1",
"formula_reduced": "LiTlSb",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-20064",
"created_at": "2022-09-04T14:35:49.254404Z",
"updated_at": "2022-09-04T14:35:49.254438Z",
"structure_string": "La1 Sb1\n1.0\n3.997844 0.000000 2.308156\n1.332614 3.769204 2.308156\n0.000000 0.000000 4.616313\nLa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.500001 Sb\n",
"nsites": 2,
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"elements": [
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"density": 6.222456476622198,
"density_atomic": 0.02875141750700023,
"volume": 69.56178767579203,
"volume_molar": 20.945543845042643,
"formula_full": "La1 Sb1",
"formula_reduced": "LaSb",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-35032",
"created_at": "2022-09-04T14:37:42.104710Z",
"updated_at": "2022-09-04T14:37:42.104738Z",
"structure_string": "Pr2 Pb2 Au2\n1.0\n2.448414 -4.240778 -0.000000\n2.448414 4.240778 -0.000000\n-0.000000 0.000000 7.721352\nPr Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Pb\n0.666666 0.333332 0.750000 Pb\n0.333332 0.666666 0.750000 Au\n0.666666 0.333332 0.250000 Au\n",
"nsites": 6,
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"elements": [
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"Pb",
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],
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"density": 11.28966343020255,
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"volume": 160.34437881019184,
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"formula_full": "Pr2 Pb2 Au2",
"formula_reduced": "PrPbAu",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-41692",
"created_at": "2022-09-04T14:37:42.817883Z",
"updated_at": "2022-09-04T14:37:42.817911Z",
"structure_string": "Li2 Ho1 In1\n1.0\n0.000000 3.387156 3.387156\n3.387156 0.000000 3.387156\n3.387156 3.387156 -0.000000\nLi Ho In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ho\n0.750001 0.750001 0.750001 In\n",
"nsites": 4,
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"elements": [
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"Ho",
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],
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"density": 6.27356501168943,
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"formula_full": "Li2 Ho1 In1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-37371",
"created_at": "2022-09-04T14:38:04.398371Z",
"updated_at": "2022-09-04T14:38:04.398390Z",
"structure_string": "Sr1 Ac3\n1.0\n-2.844562 2.844562 5.639367\n2.844562 -2.844562 5.639367\n2.844562 2.844562 -5.639367\nSr Ac\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.000000 Ac\n0.749999 0.250000 0.499999 Ac\n0.250000 0.749999 0.499999 Ac\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sr1 Ac3",
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},
{
"id": "jvasp-92318",
"created_at": "2022-09-04T14:35:48.822457Z",
"updated_at": "2022-09-04T14:35:48.822482Z",
"structure_string": "Mg3 Sb3\n1.0\n3.858050 0.000000 0.000000\n-1.929024 3.341170 -0.000000\n-0.000000 -0.000000 11.910174\nMg Sb\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333333 Mg\n0.333334 0.666667 0.666667 Mg\n0.333334 0.666667 0.166667 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.833333 Sb\n",
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"formula_full": "Mg3 Sb3",
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{
"id": "jvasp-30450",
"created_at": "2022-09-04T14:37:05.187549Z",
"updated_at": "2022-09-04T14:37:05.187569Z",
"structure_string": "Li2 Dy1 In1\n1.0\n0.000000 3.396384 3.396384\n3.396384 0.000000 3.396384\n3.396384 3.396384 -0.000000\nLi Dy In\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.250001 0.250001 0.250001 Dy\n0.749999 0.749999 0.749999 In\n",
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