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{
"id": "jvasp-100172",
"created_at": "2022-09-04T14:36:31.974786Z",
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"structure_string": "Ga2 Ge6\n1.0\n6.000990 0.000000 0.000000\n-3.000495 5.197010 0.000000\n0.000000 -0.000000 5.079580\nGa Ge\n2 6\ndirect\n0.333332 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.163851 0.327703 0.250000 Ge\n0.672297 0.836149 0.250000 Ge\n0.163851 0.836149 0.250000 Ge\n0.836148 0.672297 0.750000 Ge\n0.327703 0.163851 0.750000 Ge\n0.836148 0.163851 0.750000 Ge\n",
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{
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{
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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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{
"id": "jvasp-68422",
"created_at": "2022-09-04T14:36:00.227094Z",
"updated_at": "2022-09-04T14:36:00.227119Z",
"structure_string": "Be1 Ga1 Pb2\n1.0\n-2.105924 2.105924 5.372217\n2.105924 -2.105924 5.372217\n2.105924 2.105924 -5.372217\nBe Ga Pb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Pb\n0.250000 0.749999 0.499999 Pb\n",
"nsites": 4,
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"density": 8.59243309162649,
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"volume": 95.30132223245448,
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"formula_full": "Be1 Ga1 Pb2",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-3540",
"created_at": "2022-09-04T14:35:54.516286Z",
"updated_at": "2022-09-04T14:35:54.516312Z",
"structure_string": "K2 Re1 Cl6\n1.0\n5.985755 0.000000 3.455877\n1.995252 5.643424 3.455877\n0.000000 0.000000 6.911754\nK Re Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.750001 K\n0.000000 0.000000 0.000000 Re\n0.757019 0.242980 0.757020 Cl\n0.757019 0.242980 0.242981 Cl\n0.757019 0.757020 0.242981 Cl\n0.242980 0.757020 0.242981 Cl\n0.242980 0.242980 0.757020 Cl\n0.242980 0.757020 0.757020 Cl\n",
"nsites": 9,
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"elements": [
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"volume": 233.4801105566869,
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"formula_full": "K2 Re1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-80375",
"created_at": "2022-09-04T14:37:14.328655Z",
"updated_at": "2022-09-04T14:37:14.328670Z",
"structure_string": "Al1 Zn1 Ni2\n1.0\n-8.316399 0.000000 -4.801475\n-5.437342 0.217513 -0.185197\n-4.687117 2.339471 -1.484626\nAl Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 -0.000001 0.000000 Zn\n0.753353 -0.000001 0.000000 Ni\n0.246648 -0.000000 0.000000 Ni\n",
"nsites": 4,
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{
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"updated_at": "2022-09-04T14:37:03.573419Z",
"structure_string": "Na1 Er1 O2\n1.0\n3.225645 -0.002100 4.861881\n1.464595 2.873979 4.861881\n-0.003430 -0.002100 5.834608\nNa Er O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.737360 0.737360 0.737360 O\n0.262640 0.262640 0.262640 O\n",
"nsites": 4,
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},
{
"id": "jvasp-86168",
"created_at": "2022-09-04T14:36:03.332000Z",
"updated_at": "2022-09-04T14:36:03.332026Z",
"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164309 0.022613 -0.272367\n-0.174876 6.004180 -3.459372\n0.043373 0.013044 6.965064\nRb Cr Cl\n2 2 6\ndirect\n0.756707 0.333368 0.666736 Rb\n0.243292 0.666631 0.333262 Rb\n0.500000 -0.000000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224657 0.675587 0.838270 Cl\n0.224657 0.162682 0.838269 Cl\n0.303502 0.166963 0.333927 Cl\n0.775342 0.324412 0.161729 Cl\n0.775342 0.837316 0.161729 Cl\n0.696497 0.833036 0.666071 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb2 Cr2 Cl6",
"formula_reduced": "RbCrCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 12
},
{
"id": "jvasp-86770",
"created_at": "2022-09-04T14:35:42.240094Z",
"updated_at": "2022-09-04T14:35:42.240116Z",
"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164271 0.022637 -0.272324\n-0.174876 6.004170 -3.459366\n0.043422 0.013045 6.965051\nRb Cr Cl\n2 2 6\ndirect\n0.756708 0.333368 0.666735 Rb\n0.243290 0.666633 0.333265 Rb\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224662 0.675588 0.838271 Cl\n0.224663 0.162684 0.838271 Cl\n0.303492 0.166964 0.333927 Cl\n0.775337 0.324413 0.161729 Cl\n0.775336 0.837317 0.161729 Cl\n0.696507 0.833038 0.666073 Cl\n",
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"formula_full": "Rb2 Cr2 Cl6",
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},
{
"id": "jvasp-39267",
"created_at": "2022-09-04T14:37:51.706777Z",
"updated_at": "2022-09-04T14:37:51.706804Z",
"structure_string": "Lu2 Al1 Zn1\n1.0\n-0.000000 3.501763 3.501763\n3.501763 0.000000 3.501763\n3.501763 3.501763 -0.000000\nLu Al Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.249999 0.249999 0.249999 Al\n0.749999 0.749999 0.749999 Zn\n",
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{
"id": "jvasp-101014",
"created_at": "2022-09-04T14:36:41.029108Z",
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"structure_string": "Sc2 Cd1 Ga1\n1.0\n4.203838 -0.000000 2.427087\n1.401279 3.963416 2.427087\n-0.000000 -0.000000 4.854174\nSc Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750001 0.750000 Sc\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
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{
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"updated_at": "2022-09-04T14:35:54.245143Z",
"structure_string": "Na1 Zr2 Ti1 F11\n1.0\n5.365721 0.010567 2.038666\n1.007227 5.270347 2.038666\n0.001259 0.001043 7.854119\nNa Zr Ti F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.503148 0.503148 0.766542 Zr\n0.496852 0.496853 0.233458 Zr\n0.000000 -0.000000 0.500000 Ti\n0.808615 0.216991 0.690446 F\n0.783009 0.191385 0.309554 F\n0.191385 0.783009 0.309554 F\n0.216992 0.808615 0.690446 F\n0.500000 0.500000 0.500000 F\n0.328505 0.671496 0.000000 F\n0.671495 0.328505 0.000000 F\n0.247652 0.247652 0.356407 F\n0.752348 0.752348 0.643593 F\n0.263686 0.263685 0.892056 F\n0.736315 0.736316 0.107945 F\n",
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