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{
"id": "jvasp-106646",
"created_at": "2022-09-04T14:36:57.590536Z",
"updated_at": "2022-09-04T14:36:57.590562Z",
"structure_string": "Mn1 Cu1 Pt6\n1.0\n4.796983 -0.000000 2.769539\n1.598994 4.522639 2.769539\n-0.000000 -0.000000 5.539079\nMn Cu Pt\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.499999 0.500000 0.000000 Pt\n",
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{
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"structure_string": "Sr1 Mg6 Nb1\n1.0\n6.318287 -1.693638 0.000000\n-4.625878 8.012255 0.000000\n0.000000 0.000000 4.522789\nSr Mg Nb\n1 6 1\ndirect\n0.249984 0.374991 0.250000 Sr\n0.750005 0.375021 0.250000 Mg\n0.750005 0.874981 0.250000 Mg\n0.250015 0.097612 0.750000 Mg\n0.250014 0.652402 0.750000 Mg\n0.695091 0.097546 0.750000 Mg\n0.804866 0.652432 0.750000 Mg\n0.250022 0.875010 0.250000 Nb\n",
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{
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"created_at": "2022-09-04T14:36:31.011192Z",
"updated_at": "2022-09-04T14:36:31.011212Z",
"structure_string": "Sr1 Rh1 F6\n1.0\n4.745710 -0.001466 -0.679219\n-0.783147 4.680646 -0.679219\n-0.001241 -0.001466 4.794069\nSr Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.708671 0.708672 0.070598 F\n0.708672 0.070597 0.708672 F\n0.291328 0.929402 0.291328 F\n0.291328 0.291328 0.929402 F\n0.929402 0.291328 0.291328 F\n0.070598 0.708672 0.708672 F\n",
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"elements": [
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"volume": 106.47564378374076,
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"formula_full": "Sr1 Rh1 F6",
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-93107",
"created_at": "2022-09-04T14:36:19.655848Z",
"updated_at": "2022-09-04T14:36:19.655878Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"density": 2.1506283504154826,
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"volume": 201.93629223239023,
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"formula_full": "Sr1 Mg6 Si1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-16201",
"created_at": "2022-09-04T14:36:33.639275Z",
"updated_at": "2022-09-04T14:36:33.639303Z",
"structure_string": "Mg1 Rh1 F6\n1.0\n4.438604 0.029082 3.050052\n1.620203 4.132430 3.050053\n0.042341 0.029079 5.385372\nMg Rh F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Rh\n0.387633 0.102645 0.756314 F\n0.102644 0.756314 0.387634 F\n0.243685 0.612366 0.897355 F\n0.897355 0.243685 0.612366 F\n0.612365 0.897355 0.243686 F\n0.756313 0.387633 0.102645 F\n",
"nsites": 8,
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"density": 4.09759356486353,
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"volume": 97.74604115593132,
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"formula_full": "Mg1 Rh1 F6",
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{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
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"elements": [
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"density": 1.679404472200331,
"density_atomic": 0.04087985674141533,
"volume": 195.6954020314658,
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"formula_full": "Ca1 Mg6 C1",
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{
"id": "jvasp-100463",
"created_at": "2022-09-04T14:36:31.549479Z",
"updated_at": "2022-09-04T14:36:31.549498Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.683182 0.109275 3.175331\n1.740464 4.349129 3.175331\n0.157443 0.109275 5.655982\nCa Cr F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cr\n0.927493 0.215186 0.634201 F\n0.215185 0.634202 0.927493 F\n0.365798 0.072507 0.784813 F\n0.784813 0.365799 0.072507 F\n0.072506 0.784814 0.365799 F\n0.634200 0.927493 0.215187 F\n",
"nsites": 8,
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"density_atomic": 0.07208293669820208,
"volume": 110.98326963972791,
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"formula_full": "Ca1 Cr1 F6",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-92913",
"created_at": "2022-09-04T14:36:22.105331Z",
"updated_at": "2022-09-04T14:36:22.105365Z",
"structure_string": "Mg6 Nb1 Ga1\n1.0\n6.236749 0.171424 0.000000\n-2.969917 5.144047 0.000000\n0.000000 0.000000 4.950907\nMg Nb Ga\n6 1 1\ndirect\n0.655008 0.326931 0.250000 Mg\n0.655008 0.828077 0.250000 Mg\n0.336754 0.177140 0.750001 Mg\n0.336754 0.659616 0.750001 Mg\n0.847971 0.173986 0.750001 Mg\n0.855349 0.677675 0.750001 Mg\n0.150602 0.325300 0.250000 Nb\n0.162551 0.831276 0.250000 Ga\n",
"nsites": 8,
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"density": 3.1743978685577225,
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"formula_full": "Mg6 Nb1 Ga1",
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"spacegroup": 38
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{
"id": "jvasp-94163",
"created_at": "2022-09-04T14:36:19.717960Z",
"updated_at": "2022-09-04T14:36:19.717996Z",
"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.114006 -0.013840 0.000000\n-3.068990 5.315645 0.000000\n0.000000 0.000000 4.850946\nMg Cr Cu\n6 1 1\ndirect\n0.665446 0.334694 0.250000 Mg\n0.665446 0.830751 0.250000 Mg\n0.324317 0.163732 0.750001 Mg\n0.324316 0.660585 0.750001 Mg\n0.845907 0.172954 0.750001 Mg\n0.842594 0.671297 0.750001 Mg\n0.164826 0.832411 0.250000 Cr\n0.167148 0.333574 0.250000 Cu\n",
"nsites": 8,
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{
"id": "jvasp-93073",
"created_at": "2022-09-04T14:36:18.406535Z",
"updated_at": "2022-09-04T14:36:18.406559Z",
"structure_string": "Na1 Mg6 C1\n1.0\n7.711422 0.210190 0.000000\n-3.673682 6.783380 0.000000\n0.000000 0.000000 3.323247\nNa Mg C\n1 6 1\ndirect\n0.138296 0.361704 0.250000 Na\n0.191399 0.967817 0.250000 Mg\n0.532183 0.308601 0.250000 Mg\n0.720183 0.779817 0.250000 Mg\n0.372768 0.778945 0.750001 Mg\n0.721055 0.127232 0.750001 Mg\n0.919878 0.580122 0.750001 Mg\n0.404240 0.095760 0.750001 C\n",
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"volume": 176.40352379849415,
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{
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"created_at": "2022-09-04T14:36:18.642849Z",
"updated_at": "2022-09-04T14:36:18.642878Z",
"structure_string": "Li1 Mg6 Bi1\n1.0\n6.502332 0.124996 0.000000\n-3.142916 5.443690 0.000000\n0.000000 0.000000 5.206829\nLi Mg Bi\n1 6 1\ndirect\n0.163099 0.331549 0.250000 Li\n0.668975 0.331665 0.250000 Mg\n0.668974 0.837311 0.250000 Mg\n0.338353 0.178683 0.750000 Mg\n0.338353 0.659671 0.750000 Mg\n0.837619 0.168811 0.750000 Mg\n0.816345 0.658173 0.750000 Mg\n0.168280 0.834140 0.250000 Bi\n",
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"density_atomic": 0.04292997714315491,
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"formula_full": "Li1 Mg6 Bi1",
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{
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"structure_string": "Ca1 Mo1 F6\n1.0\n4.860158 0.153518 3.361115\n1.843149 4.499723 3.361115\n0.221154 0.153518 5.905025\nCa Mo F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mo\n0.372272 0.087527 0.771430 F\n0.087526 0.771429 0.372272 F\n0.228570 0.627728 0.912474 F\n0.912474 0.228571 0.627727 F\n0.627728 0.912474 0.228569 F\n0.771430 0.372272 0.087525 F\n",
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