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{
"id": "jvasp-13827",
"created_at": "2022-09-04T14:35:55.942470Z",
"updated_at": "2022-09-04T14:35:55.942497Z",
"structure_string": "Mg2 Si2 O6\n1.0\n2.711637 0.000000 -0.000000\n-1.355819 4.583012 -0.000000\n-0.000000 0.000000 6.710265\nMg Si O\n2 2 6\ndirect\n0.259928 0.519856 0.749999 Mg\n0.740072 0.480143 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.626456 0.252912 0.943947 O\n0.373544 0.747087 0.056053 O\n0.373544 0.747087 0.443947 O\n0.626456 0.252912 0.556052 O\n0.926465 0.852929 0.749999 O\n0.073536 0.147070 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:35:56.063480Z",
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"structure_string": "U4 Re8\n1.0\n5.379817 0.157168 0.000000\n-2.322010 4.855452 -0.000000\n-0.000000 0.000000 8.276188\nU Re\n4 8\ndirect\n0.337438 0.662562 0.585499 U\n0.662562 0.337438 0.085499 U\n0.662562 0.337438 0.414501 U\n0.337438 0.662562 0.914501 U\n0.175457 0.824543 0.250000 Re\n0.167150 0.341312 0.250000 Re\n0.832850 0.658688 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.658688 0.832850 0.250000 Re\n0.341313 0.167150 0.750000 Re\n0.824543 0.175457 0.750000 Re\n0.000000 0.000000 0.500000 Re\n",
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{
"id": "jvasp-15787",
"created_at": "2022-09-04T14:35:56.196139Z",
"updated_at": "2022-09-04T14:35:56.196165Z",
"structure_string": "Er2 Cd6\n1.0\n4.835567 0.000000 0.000000\n0.000000 5.932612 -2.540654\n-0.000000 -0.042782 6.453602\nEr Cd\n2 6\ndirect\n0.250000 0.635081 0.364919 Er\n0.750001 0.364919 0.635081 Er\n0.750001 0.875959 0.686888 Cd\n0.250000 0.124041 0.313113 Cd\n0.750001 0.823393 0.176607 Cd\n0.250000 0.176607 0.823393 Cd\n0.750001 0.313113 0.124041 Cd\n0.250000 0.686887 0.875959 Cd\n",
"nsites": 8,
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"elements": [
"Er",
"Cd"
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"density": 9.075541421432261,
"density_atomic": 0.04333403735398213,
"volume": 184.61238528620157,
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"formula_full": "Er2 Cd6",
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"formula_anonymous": "AB3",
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"spacegroup": 63
},
{
"id": "jvasp-91289",
"created_at": "2022-09-04T14:35:56.382322Z",
"updated_at": "2022-09-04T14:35:56.382347Z",
"structure_string": "Sr2 In8 Ni2\n1.0\n4.381544 -0.000000 -1.149986\n-0.000000 7.390137 0.000000\n0.001840 0.000000 8.929037\nSr In Ni\n2 8 2\ndirect\n0.120888 0.750000 0.241774 Sr\n0.879111 0.250000 0.758225 Sr\n0.689575 0.048600 0.379151 In\n0.310424 0.951400 0.620849 In\n0.310424 0.548600 0.620849 In\n0.689575 0.451400 0.379151 In\n0.075485 0.250000 0.150970 In\n0.924514 0.750000 0.849030 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.774752 0.750000 0.549505 Ni\n0.225247 0.250000 0.450495 Ni\n",
"nsites": 12,
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"elements": [
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"In",
"Ni"
],
"chemical_system": "In-Ni-Sr",
"density": 6.955794001275922,
"density_atomic": 0.04150242451788607,
"volume": 289.1397343504215,
"volume_molar": 14.510334829727046,
"formula_full": "Sr2 In8 Ni2",
"formula_reduced": "SrIn4Ni",
"formula_anonymous": "ABC4",
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"spacegroup": 63
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{
"id": "jvasp-16224",
"created_at": "2022-09-04T14:35:56.491845Z",
"updated_at": "2022-09-04T14:35:56.491863Z",
"structure_string": "Sc2 Si2\n1.0\n3.681446 -0.000000 -0.000000\n-0.000000 3.708205 -1.496491\n0.000000 0.001145 5.345425\nSc Si\n2 2\ndirect\n0.250000 0.861228 0.722455 Sc\n0.750001 0.138772 0.277544 Sc\n0.250000 0.582481 0.164962 Si\n0.750001 0.417519 0.835037 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.323887396024049,
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"volume": 72.9796793060486,
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"formula_full": "Sc2 Si2",
"formula_reduced": "ScSi",
"formula_anonymous": "AB",
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"spacegroup": 63
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{
"id": "jvasp-86959",
"created_at": "2022-09-04T14:35:56.737181Z",
"updated_at": "2022-09-04T14:35:56.737206Z",
"structure_string": "Zr2 Tl2 Cu2 Se6\n1.0\n3.876732 0.000000 0.000000\n-1.938366 7.297894 0.000000\n0.000000 -0.000000 10.202380\nZr Tl Cu Se\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250284 0.500567 0.250000 Tl\n0.749715 0.499432 0.750000 Tl\n0.462612 0.925224 0.750000 Cu\n0.537387 0.074775 0.250000 Cu\n0.627465 0.254931 0.049293 Se\n0.372534 0.745068 0.950707 Se\n0.372534 0.745068 0.549293 Se\n0.627465 0.254931 0.450707 Se\n0.067073 0.134146 0.750000 Se\n0.932925 0.865853 0.250000 Se\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.041573483921146424,
"volume": 288.64552277506334,
"volume_molar": 14.485533065793478,
"formula_full": "Zr2 Tl2 Cu2 Se6",
"formula_reduced": "ZrTlCuSe3",
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"spacegroup": 63
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{
"id": "jvasp-42333",
"created_at": "2022-09-04T14:35:56.783312Z",
"updated_at": "2022-09-04T14:35:56.783342Z",
"structure_string": "Mn8 O4 F12\n1.0\n4.780361 -0.142827 -0.000000\n-0.142827 4.780361 0.000000\n0.000000 0.000000 12.668204\nMn O F\n8 4 12\ndirect\n0.964545 0.964545 0.999599 Mn\n0.964545 0.964545 0.250401 Mn\n0.035454 0.035454 0.499599 Mn\n0.035454 0.035454 0.750401 Mn\n0.497781 0.497781 0.625000 Mn\n0.502218 0.502218 0.125000 Mn\n0.500000 0.500000 0.375000 Mn\n0.500000 0.500000 0.875000 Mn\n0.673031 0.673031 0.998073 O\n0.673031 0.673031 0.251928 O\n0.326968 0.326968 0.498072 O\n0.326968 0.326968 0.751928 O\n0.829993 0.221976 0.625000 F\n0.170006 0.778023 0.125000 F\n0.200836 0.799163 0.375000 F\n0.221976 0.829993 0.625000 F\n0.200836 0.799163 0.875000 F\n0.276657 0.276657 0.005212 F\n0.276657 0.276657 0.244788 F\n0.723343 0.723343 0.505212 F\n0.723343 0.723343 0.744787 F\n0.778023 0.170006 0.125000 F\n0.799163 0.200836 0.375000 F\n0.799163 0.200836 0.875000 F\n",
"nsites": 24,
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"elements": [
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"O",
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],
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"density": 4.199568212824498,
"density_atomic": 0.08297794334327767,
"volume": 289.2334882381045,
"volume_molar": 7.257519911148624,
"formula_full": "Mn8 O4 F12",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
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"spacegroup": 63
},
{
"id": "jvasp-14880",
"created_at": "2022-09-04T14:35:57.462983Z",
"updated_at": "2022-09-04T14:35:57.463009Z",
"structure_string": "Na4 Hg4\n1.0\n5.276650 0.000000 0.000000\n-0.000000 5.949696 -2.450703\n-0.000000 0.028910 6.434594\nNa Hg\n4 4\ndirect\n0.250000 0.160370 0.839630 Na\n0.750000 0.839631 0.160370 Na\n0.250000 0.629487 0.370514 Na\n0.750000 0.370514 0.629486 Na\n0.750000 0.874961 0.673450 Hg\n0.250000 0.125040 0.326549 Hg\n0.250000 0.673450 0.874960 Hg\n0.750000 0.326550 0.125040 Hg\n",
"nsites": 8,
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"elements": [
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"volume": 202.38447553894918,
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},
{
"id": "jvasp-3312",
"created_at": "2022-09-04T14:35:56.956883Z",
"updated_at": "2022-09-04T14:35:56.956907Z",
"structure_string": "Na4 Cu2 As2\n1.0\n5.321515 0.000000 0.000000\n0.000000 5.560809 -1.149638\n-0.000000 -0.003350 5.678402\nNa Cu As\n4 2 2\ndirect\n0.250000 0.029049 0.678420 Na\n0.750001 0.970951 0.321579 Na\n0.750001 0.321580 0.970951 Na\n0.250000 0.678420 0.029049 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.250000 0.228062 0.228062 As\n0.750001 0.771938 0.771937 As\n",
"nsites": 8,
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"density": 3.6458985845340894,
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"volume": 168.01437132711854,
"volume_molar": 12.6475774229352,
"formula_full": "Na4 Cu2 As2",
"formula_reduced": "Na2CuAs",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-86393",
"created_at": "2022-09-04T14:35:57.095278Z",
"updated_at": "2022-09-04T14:35:57.095298Z",
"structure_string": "Er2 Co2 Si4\n1.0\n3.960188 0.000000 0.000000\n-0.000000 3.876391 -0.950079\n0.000000 0.004513 8.401428\nEr Co Si\n2 2 4\ndirect\n0.250000 0.892023 0.784049 Er\n0.750000 0.107976 0.215951 Er\n0.750000 0.321911 0.643823 Co\n0.250000 0.678088 0.356177 Co\n0.250000 0.249981 0.499962 Si\n0.750000 0.750018 0.500038 Si\n0.750000 0.457471 0.914942 Si\n0.250000 0.542528 0.085058 Si\n",
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"volume": 128.98929351121245,
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"formula_full": "Er2 Co2 Si4",
"formula_reduced": "ErCoSi2",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-3819",
"created_at": "2022-09-04T14:35:57.265605Z",
"updated_at": "2022-09-04T14:35:57.265627Z",
"structure_string": "K4 Ag2 Bi2\n1.0\n6.383234 0.000000 0.000000\n0.000000 6.569498 -1.543942\n0.000000 -0.011038 6.748477\nK Ag Bi\n4 2 2\ndirect\n0.249943 0.670702 0.019167 K\n0.749943 0.329298 0.980834 K\n0.250057 0.019166 0.670702 K\n0.750057 0.980834 0.329298 K\n0.000000 0.500045 0.499955 Ag\n0.500000 0.499955 0.500046 Ag\n0.250000 0.223213 0.223213 Bi\n0.750000 0.776787 0.776787 Bi\n",
"nsites": 8,
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],
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"formula_full": "K4 Ag2 Bi2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-86483",
"created_at": "2022-09-04T14:35:57.287189Z",
"updated_at": "2022-09-04T14:35:57.287208Z",
"structure_string": "Tb2 Si4 Ni2\n1.0\n3.998293 0.000000 0.000000\n-0.000000 3.911753 -0.954028\n-0.000000 -0.005827 8.472714\nTb Si Ni\n2 4 2\ndirect\n0.250000 0.894449 0.788900 Tb\n0.750000 0.105549 0.211099 Tb\n0.250000 0.250030 0.500061 Si\n0.750000 0.749968 0.499938 Si\n0.250000 0.540341 0.080683 Si\n0.750000 0.459657 0.919316 Si\n0.250000 0.678346 0.356693 Ni\n0.750000 0.321652 0.643306 Ni\n",
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"formula_full": "Tb2 Si4 Ni2",
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}