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{
"id": "jvasp-94133",
"created_at": "2022-09-04T14:35:45.469848Z",
"updated_at": "2022-09-04T14:35:45.469869Z",
"structure_string": "Mg6 Cr1 Co1\n1.0\n6.041803 0.013875 0.000000\n-3.008886 5.211543 0.000000\n0.000000 0.000000 4.780605\nMg Cr Co\n6 1 1\ndirect\n0.662718 0.331999 0.250000 Mg\n0.662717 0.830717 0.250000 Mg\n0.323006 0.167944 0.749999 Mg\n0.323006 0.655064 0.749999 Mg\n0.856833 0.178417 0.749999 Mg\n0.847308 0.673655 0.749999 Mg\n0.164332 0.832166 0.250000 Cr\n0.160077 0.330038 0.250000 Co\n",
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{
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"structure_string": "Mg6 Si1 Ni1\n1.0\n6.135792 0.030955 0.000000\n-3.041088 5.329228 0.000000\n0.000000 0.000000 4.624007\nMg Si Ni\n6 1 1\ndirect\n0.166099 0.852182 0.250000 Mg\n0.647818 0.333901 0.250000 Mg\n0.662679 0.837322 0.250000 Mg\n0.324766 0.642042 0.750001 Mg\n0.857958 0.175235 0.750001 Mg\n0.832268 0.667733 0.750001 Mg\n0.317441 0.182559 0.750001 Si\n0.190970 0.309030 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:35:45.393184Z",
"updated_at": "2022-09-04T14:35:45.393217Z",
"structure_string": "Ti1 Al1 Ni6\n1.0\n3.583655 0.000000 0.000000\n0.000000 3.583655 0.000000\n0.000000 -0.000000 7.086399\nTi Al Ni\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 -0.000000 Ni\n0.499999 0.499999 0.500000 Ni\n0.499999 0.000000 0.247587 Ni\n0.499999 0.000000 0.752413 Ni\n-0.000000 0.499999 0.247587 Ni\n-0.000000 0.499999 0.752413 Ni\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.7912667840640895,
"density_atomic": 0.08790468029525425,
"volume": 91.0076684555316,
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"formula_full": "Ti1 Al1 Ni6",
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"spacegroup": 123
},
{
"id": "jvasp-90459",
"created_at": "2022-09-04T14:35:45.187298Z",
"updated_at": "2022-09-04T14:35:45.187323Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.7874488358503926,
"density_atomic": 0.03539298789646594,
"volume": 226.03347373220268,
"volume_molar": 17.015067441088586,
"formula_full": "Rb1 Mg6 C1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93190",
"created_at": "2022-09-04T14:35:41.879867Z",
"updated_at": "2022-09-04T14:35:41.879884Z",
"structure_string": "K1 Mg6 Cr1\n1.0\n7.623576 -2.042595 0.000000\n-5.580727 9.666102 0.000000\n0.000000 0.000000 3.121073\nK Mg Cr\n1 6 1\ndirect\n0.249971 0.374985 0.250000 K\n0.750085 0.375062 0.250000 Mg\n0.750085 0.875021 0.250000 Mg\n0.250070 0.074857 0.749999 Mg\n0.250069 0.675212 0.749999 Mg\n0.649567 0.074784 0.749999 Mg\n0.850270 0.675136 0.749999 Mg\n0.249882 0.874941 0.250000 Cr\n",
"nsites": 8,
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"elements": [
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"Cr"
],
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"density": 2.023620046428491,
"density_atomic": 0.04114907461979099,
"volume": 194.41506458938287,
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"formula_anonymous": "ABC6",
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"spacegroup": 123
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{
"id": "jvasp-92934",
"created_at": "2022-09-04T14:35:41.878199Z",
"updated_at": "2022-09-04T14:35:41.878225Z",
"structure_string": "Rb1 Mg6 Cd1\n1.0\n8.921472 1.561687 0.000000\n-3.108274 5.383687 0.000000\n0.000000 0.000000 4.973431\nRb Mg Cd\n1 6 1\ndirect\n0.080827 0.290414 0.250000 Rb\n0.639756 0.327000 0.250000 Mg\n0.639756 0.812757 0.250000 Mg\n0.399919 0.204174 0.750000 Mg\n0.399919 0.695747 0.750000 Mg\n0.731182 0.115592 0.750000 Mg\n0.763240 0.631621 0.750000 Mg\n0.345404 0.922702 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.169974969736044,
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"volume": 263.0177296485733,
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"formula_full": "Rb1 Mg6 Cd1",
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{
"id": "jvasp-92187",
"created_at": "2022-09-04T14:35:44.914189Z",
"updated_at": "2022-09-04T14:35:44.914225Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n6.808832 -0.001815 0.000000\n-3.405988 5.895715 0.000000\n0.000000 0.000000 5.236010\nCa Ce Mg\n1 1 6\ndirect\n0.083123 0.416876 0.250000 Ca\n0.416859 0.083142 0.750000 Ce\n0.078951 0.914738 0.250000 Mg\n0.585261 0.421048 0.250000 Mg\n0.585674 0.914326 0.250000 Mg\n0.432685 0.591087 0.750000 Mg\n0.908912 0.067315 0.750000 Mg\n0.908530 0.591469 0.750000 Mg\n",
"nsites": 8,
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"Ce",
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],
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"density": 2.576060073449508,
"density_atomic": 0.038066881883272334,
"volume": 210.15643005726264,
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"formula_full": "Ca1 Ce1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
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{
"id": "jvasp-94240",
"created_at": "2022-09-04T14:35:41.123826Z",
"updated_at": "2022-09-04T14:35:41.123854Z",
"structure_string": "Mg6 Ga1 Fe1\n1.0\n6.098284 -0.029941 0.000000\n-3.075072 5.326180 0.000000\n0.000000 0.000000 4.800240\nMg Ga Fe\n6 1 1\ndirect\n0.667606 0.332247 0.250000 Mg\n0.667607 0.835360 0.250000 Mg\n0.324361 0.171323 0.750000 Mg\n0.324361 0.653040 0.750000 Mg\n0.848331 0.174166 0.750000 Mg\n0.838296 0.669149 0.750000 Mg\n0.164841 0.832420 0.250000 Ga\n0.164598 0.332298 0.250000 Fe\n",
"nsites": 8,
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"formula_full": "Mg6 Ga1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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{
"id": "jvasp-22519",
"created_at": "2022-09-04T14:35:44.822393Z",
"updated_at": "2022-09-04T14:35:44.822411Z",
"structure_string": "Cr1 Mo1 F6\n1.0\n4.423798 -0.025901 2.428115\n-1.306582 4.735697 2.430641\n0.111165 0.129927 5.042671\nCr Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500001 -0.000001 Mo\n0.244764 0.755609 0.125223 F\n0.755236 0.244393 0.874775 F\n0.370045 0.244367 0.510807 F\n0.629956 0.755634 0.489190 F\n0.880833 0.755667 0.874278 F\n0.119167 0.244335 0.125720 F\n",
"nsites": 8,
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"formula_full": "Cr1 Mo1 F6",
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{
"id": "jvasp-93115",
"created_at": "2022-09-04T14:35:44.667338Z",
"updated_at": "2022-09-04T14:35:44.667372Z",
"structure_string": "La1 Mg6 Mo1\n1.0\n6.595749 -0.120294 0.000000\n-3.402053 5.651938 0.000000\n0.000000 0.000000 4.971095\nLa Mg Mo\n1 6 1\ndirect\n0.203591 0.296410 0.250000 La\n0.183701 0.823436 0.250000 Mg\n0.676565 0.316301 0.250000 Mg\n0.661689 0.838313 0.250000 Mg\n0.326676 0.687112 0.750001 Mg\n0.812889 0.173325 0.750001 Mg\n0.822141 0.677861 0.750001 Mg\n0.312753 0.187248 0.750001 Mo\n",
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"spacegroup": 38
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{
"id": "jvasp-92871",
"created_at": "2022-09-04T14:35:41.846052Z",
"updated_at": "2022-09-04T14:35:41.846079Z",
"structure_string": "Mg6 Nb1 Cd1\n1.0\n6.299423 0.040427 0.000000\n-3.114701 5.394820 0.000000\n0.000000 0.000000 4.911869\nMg Nb Cd\n6 1 1\ndirect\n0.661132 0.328275 0.250000 Mg\n0.661132 0.832857 0.250000 Mg\n0.330050 0.176847 0.750000 Mg\n0.330050 0.653205 0.750000 Mg\n0.848333 0.174168 0.750000 Mg\n0.842905 0.671454 0.750000 Mg\n0.158856 0.329427 0.250000 Nb\n0.167542 0.833771 0.250000 Cd\n",
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"formula_full": "Mg6 Nb1 Cd1",
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}