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{
"id": "jvasp-47923",
"created_at": "2022-09-04T14:37:08.263499Z",
"updated_at": "2022-09-04T14:37:08.263523Z",
"structure_string": "Li8 Mn4 F16\n1.0\n4.970805 0.000000 0.000000\n0.000000 5.702279 0.000000\n0.000000 0.000000 10.340912\nLi Mn F\n8 4 16\ndirect\n0.488769 0.500000 0.772705 Li\n0.000000 0.750000 0.750000 Li\n0.000000 0.250000 0.750000 Li\n0.511232 0.000000 0.727295 Li\n0.511232 0.000000 0.272705 Li\n0.000000 0.750000 0.250000 Li\n0.000000 0.250000 0.250000 Li\n0.488769 0.500000 0.227295 Li\n0.534268 0.500000 0.500000 Mn\n0.135544 0.000000 0.500000 Mn\n0.864457 0.500000 0.000000 Mn\n0.465733 0.000000 0.000000 Mn\n0.151634 0.500000 0.143876 F\n0.196395 0.000000 0.150637 F\n0.803606 0.500000 0.349363 F\n0.848367 0.000000 0.356124 F\n0.331896 0.249471 0.370099 F\n0.331896 0.750529 0.370099 F\n0.331896 0.249471 0.629900 F\n0.668105 0.749471 0.870099 F\n0.848367 0.000000 0.643876 F\n0.803606 0.500000 0.650637 F\n0.196395 0.000000 0.849363 F\n0.151634 0.500000 0.856124 F\n0.668105 0.749471 0.129900 F\n0.668105 0.250529 0.870099 F\n0.331896 0.750529 0.629900 F\n0.668105 0.250529 0.129900 F\n",
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{
"id": "jvasp-78311",
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"structure_string": "Mg1 Bi1\n1.0\n3.820793 -0.000000 0.000000\n-1.910397 3.308905 -0.000000\n-0.000000 -0.000000 4.454385\nMg Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.500001 Bi\n",
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{
"id": "jvasp-48941",
"created_at": "2022-09-04T14:36:11.435491Z",
"updated_at": "2022-09-04T14:36:11.435522Z",
"structure_string": "Li4 V4 F12\n1.0\n5.272302 0.000000 0.000000\n-0.000000 5.322499 0.000000\n0.000000 0.000000 7.703656\nLi V F\n4 4 12\ndirect\n0.017658 0.020951 0.250000 Li\n0.517658 0.479049 0.750000 Li\n0.482342 0.520951 0.250000 Li\n0.982342 0.979049 0.750000 Li\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.840180 0.837532 0.075679 F\n0.340180 0.662468 0.575679 F\n0.340180 0.662468 0.924322 F\n0.865773 0.606998 0.750000 F\n0.134227 0.393002 0.250000 F\n0.159820 0.162468 0.575679 F\n0.659820 0.337532 0.075679 F\n0.159820 0.162468 0.924322 F\n0.840180 0.837532 0.424322 F\n0.634227 0.106998 0.750000 F\n0.659820 0.337532 0.424322 F\n0.365773 0.893002 0.250000 F\n",
"nsites": 20,
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"elements": [
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"volume": 216.17862436645515,
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"formula_full": "Li4 V4 F12",
"formula_reduced": "LiVF3",
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},
{
"id": "jvasp-19871",
"created_at": "2022-09-04T14:35:45.078204Z",
"updated_at": "2022-09-04T14:35:45.078222Z",
"structure_string": "Er1 Cd1\n1.0\n3.682737 -0.000000 -0.000000\n0.000000 3.682737 -0.000000\n0.000000 -0.000000 3.682737\nEr Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Cd\n",
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"elements": [
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{
"id": "jvasp-120995",
"created_at": "2022-09-04T14:38:51.544716Z",
"updated_at": "2022-09-04T14:38:51.544736Z",
"structure_string": "Zr1 Cu1 F2\n1.0\n3.088725 0.000000 0.000000\n0.000000 3.088725 -0.000000\n0.000000 -0.000000 5.473946\nZr Cu F\n1 1 2\ndirect\n0.500001 0.500001 0.545739 Zr\n0.000000 0.000000 0.898844 Cu\n0.000000 0.000000 0.394785 F\n0.500001 0.500001 0.170632 F\n",
"nsites": 4,
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{
"id": "jvasp-23801",
"created_at": "2022-09-04T14:37:32.983034Z",
"updated_at": "2022-09-04T14:37:32.983067Z",
"structure_string": "Yb4 Ge4 Pt4\n1.0\n4.410449 0.000000 0.000000\n-0.000000 7.004047 0.000000\n0.000000 0.000000 7.487255\nYb Ge Pt\n4 4 4\ndirect\n0.750000 0.489787 0.800351 Yb\n0.250000 0.010214 0.300351 Yb\n0.750000 0.989787 0.699650 Yb\n0.250000 0.510214 0.199650 Yb\n0.250000 0.682171 0.580592 Ge\n0.250000 0.182171 0.919409 Ge\n0.750000 0.317829 0.419408 Ge\n0.750000 0.817830 0.080592 Ge\n0.250000 0.793020 0.905377 Pt\n0.250000 0.293019 0.594624 Pt\n0.750000 0.706981 0.405377 Pt\n0.750000 0.206981 0.094623 Pt\n",
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{
"id": "jvasp-100853",
"created_at": "2022-09-04T14:36:42.769095Z",
"updated_at": "2022-09-04T14:36:42.769104Z",
"structure_string": "Ba2 Ge3\n1.0\n6.430618 0.064655 -1.504090\n-1.029626 3.862420 -5.257461\n-0.045975 -0.064655 6.604015\nBa Ge\n2 3\ndirect\n0.777516 0.764945 0.012569 Ba\n0.247624 0.235054 0.012570 Ba\n0.646202 -0.000000 0.646202 Ge\n0.341436 -0.000000 0.341436 Ge\n0.822282 0.499999 0.322281 Ge\n",
"nsites": 5,
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"volume": 161.93099840131302,
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"formula_full": "Ba2 Ge3",
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"formula_anonymous": "A2B3",
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"spacegroup": 44
},
{
"id": "jvasp-46087",
"created_at": "2022-09-04T14:38:04.329914Z",
"updated_at": "2022-09-04T14:38:04.329942Z",
"structure_string": "Yb2 Te1 O2\n1.0\n-1.888341 1.888341 7.056781\n1.888341 -1.888341 7.056781\n1.888341 1.888341 -7.056781\nYb Te O\n2 1 2\ndirect\n0.328306 0.328306 0.000000 Yb\n0.671694 0.671694 0.000000 Yb\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 5,
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],
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"formula_full": "Yb2 Te1 O2",
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},
{
"id": "jvasp-36449",
"created_at": "2022-09-04T14:37:16.935508Z",
"updated_at": "2022-09-04T14:37:16.935528Z",
"structure_string": "Sr3 Bi1 P1\n1.0\n6.139976 -0.000000 0.000000\n0.000000 6.139976 -0.000000\n-0.000000 -0.000000 6.139976\nSr Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 P\n",
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},
{
"id": "jvasp-18617",
"created_at": "2022-09-04T14:36:19.931094Z",
"updated_at": "2022-09-04T14:36:19.931123Z",
"structure_string": "Li2 Sn1 Au1\n1.0\n3.993620 0.000000 2.305718\n1.331206 3.765221 2.305718\n-0.000000 -0.000000 4.611434\nLi Sn Au\n2 1 1\ndirect\n0.500001 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sn\n0.750001 0.750000 0.750000 Au\n",
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},
{
"id": "jvasp-118815",
"created_at": "2022-09-04T14:38:47.515189Z",
"updated_at": "2022-09-04T14:38:47.515221Z",
"structure_string": "Na1 Zn2\n1.0\n2.960241 0.000000 0.000000\n0.000000 2.853854 0.000000\n0.000000 0.000000 7.695012\nNa Zn\n1 2\ndirect\n0.466594 0.000000 0.000000 Na\n-0.033297 0.000000 0.663558 Zn\n-0.033297 0.000000 0.336442 Zn\n",
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},
{
"id": "jvasp-43598",
"created_at": "2022-09-04T14:36:37.089237Z",
"updated_at": "2022-09-04T14:36:37.089264Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.110325 -0.000000 0.000000\n-0.000000 6.110325 -0.000000\n0.000000 0.000000 6.110325\nLi Mn F\n4 4 12\ndirect\n0.659713 0.659713 0.659713 Li\n0.840286 0.340286 0.159713 Li\n0.340286 0.159713 0.840286 Li\n0.159713 0.840286 0.340286 Li\n0.110080 0.610079 0.889919 Mn\n0.389920 0.389920 0.389920 Mn\n0.889919 0.110080 0.610079 Mn\n0.610079 0.889919 0.110080 Mn\n0.765549 0.615777 0.980816 F\n0.615777 0.980816 0.765549 F\n0.980816 0.765549 0.615777 F\n0.480817 0.734450 0.384223 F\n0.115777 0.519183 0.234451 F\n0.019183 0.265549 0.884222 F\n0.234451 0.115777 0.519183 F\n0.384223 0.480817 0.734450 F\n0.734450 0.384223 0.480817 F\n0.519183 0.234451 0.115777 F\n0.265549 0.884222 0.019183 F\n0.884222 0.019183 0.265549 F\n",
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}