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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=839",
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{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
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{
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"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.293474 0.688733 0.000000\n-3.050277 5.283234 0.000000\n0.000000 0.000000 4.911785\nSr Mg Fe\n1 6 1\ndirect\n0.100231 0.800115 0.250000 Sr\n0.618967 0.302392 0.250000 Mg\n0.618966 0.816573 0.250000 Mg\n0.347297 0.184213 0.749999 Mg\n0.347297 0.663085 0.749999 Mg\n0.927182 0.213591 0.749999 Mg\n0.758571 0.629286 0.749999 Mg\n0.281481 0.390740 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:36:03.324640Z",
"updated_at": "2022-09-04T14:36:03.324666Z",
"structure_string": "Hf1 Mg6 Mo1\n1.0\n6.337719 -0.146445 0.000000\n-3.295685 5.415403 0.000000\n0.000000 0.000000 4.881931\nHf Mg Mo\n1 6 1\ndirect\n0.301624 0.198376 0.750000 Hf\n0.179865 0.828439 0.250000 Mg\n0.671560 0.320133 0.250000 Mg\n0.674414 0.825584 0.250000 Mg\n0.316228 0.672066 0.750000 Mg\n0.827933 0.183770 0.750000 Mg\n0.830313 0.669685 0.750000 Mg\n0.198059 0.301941 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.048426727010022534,
"volume": 165.1980320359932,
"volume_molar": 12.435572527446757,
"formula_full": "Hf1 Mg6 Mo1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-99520",
"created_at": "2022-09-04T14:36:03.196259Z",
"updated_at": "2022-09-04T14:36:03.196295Z",
"structure_string": "V2 O3 F1\n1.0\n4.643397 -0.023270 0.000000\n-0.230541 4.637729 0.000000\n-0.000000 -0.000000 2.917953\nV O F\n2 3 1\ndirect\n0.979712 0.020289 -0.000000 V\n0.519679 0.480321 0.499999 V\n0.798539 0.201461 0.499999 O\n0.299263 0.297626 -0.000000 O\n0.702375 0.700737 -0.000000 O\n0.200434 0.799566 0.499999 F\n",
"nsites": 6,
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"elements": [
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"O",
"F"
],
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"density": 4.463905833837009,
"density_atomic": 0.09550804989116025,
"volume": 62.82192974139377,
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"formula_full": "V2 O3 F1",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
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"spacegroup": 38
},
{
"id": "jvasp-93146",
"created_at": "2022-09-04T14:36:03.220407Z",
"updated_at": "2022-09-04T14:36:03.220431Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.629792 -0.072806 0.000000\n-3.377948 5.705165 0.000000\n0.000000 0.000000 5.034253\nCe Hf Mg\n1 1 6\ndirect\n0.189952 0.310048 0.250000 Ce\n0.314110 0.185890 0.750000 Hf\n0.184166 0.832052 0.250000 Mg\n0.667948 0.315834 0.250000 Mg\n0.667336 0.832664 0.250000 Mg\n0.327843 0.678794 0.750000 Mg\n0.821206 0.172156 0.750000 Mg\n0.827437 0.672562 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.076663447003633,
"density_atomic": 0.042288265539254875,
"volume": 189.17777539430767,
"volume_molar": 14.240689901102316,
"formula_full": "Ce1 Hf1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-91659",
"created_at": "2022-09-04T14:36:03.327050Z",
"updated_at": "2022-09-04T14:36:03.327077Z",
"structure_string": "Pb4 S4\n1.0\n4.001788 0.000000 0.000000\n0.000000 4.809970 6.248092\n0.000000 -4.809970 6.248092\nPb S\n4 4\ndirect\n0.000000 0.250864 0.704665 Pb\n0.000000 0.704665 0.250864 Pb\n0.500000 0.216961 0.216961 Pb\n0.000000 0.738208 0.738208 Pb\n0.500000 0.033746 0.607285 S\n0.500000 0.607285 0.033746 S\n0.000000 0.355716 0.355716 S\n0.500000 0.567554 0.567554 S\n",
"nsites": 8,
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"elements": [
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"S"
],
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"density": 6.607153646874759,
"density_atomic": 0.03325953173107428,
"volume": 240.53255062895622,
"volume_molar": 18.106510965617513,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
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"spacegroup": 38
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{
"id": "jvasp-94256",
"created_at": "2022-09-04T14:36:07.484120Z",
"updated_at": "2022-09-04T14:36:07.484145Z",
"structure_string": "Mg6 Zr1 Bi1\n1.0\n6.326476 0.939092 0.000000\n-2.349962 5.948435 0.000000\n0.000000 0.000000 4.681413\nMg Zr Bi\n6 1 1\ndirect\n0.156406 0.870789 0.250000 Mg\n0.629212 0.343595 0.250000 Mg\n0.674688 0.825313 0.250000 Mg\n0.384141 0.673338 0.750000 Mg\n0.826663 0.115860 0.750000 Mg\n0.891366 0.608635 0.750000 Mg\n0.112936 0.387064 0.250000 Zr\n0.324593 0.175408 0.750000 Bi\n",
"nsites": 8,
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"elements": [
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"Zr",
"Bi"
],
"chemical_system": "Bi-Mg-Zr",
"density": 3.971248215097744,
"density_atomic": 0.04289429829175871,
"volume": 186.50497428785403,
"volume_molar": 14.03949009502047,
"formula_full": "Mg6 Zr1 Bi1",
"formula_reduced": "Mg6ZrBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0097216374999999,
"spacegroup": 38
},
{
"id": "jvasp-94254",
"created_at": "2022-09-04T14:36:03.396797Z",
"updated_at": "2022-09-04T14:36:03.396819Z",
"structure_string": "Hf1 Mg6 Zr1\n1.0\n6.475340 -0.111766 0.000000\n-3.334461 5.551925 0.000000\n0.000000 0.000000 5.029823\nHf Mg Zr\n1 6 1\ndirect\n0.310260 0.189740 0.750000 Hf\n0.181506 0.831047 0.250000 Mg\n0.668953 0.318495 0.250000 Mg\n0.671573 0.828428 0.250000 Mg\n0.318628 0.669209 0.750000 Mg\n0.830791 0.181372 0.750000 Mg\n0.828413 0.671587 0.750000 Mg\n0.189876 0.310124 0.250000 Zr\n",
"nsites": 8,
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"Mg",
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],
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"density": 3.8559627005867885,
"density_atomic": 0.04470506161805846,
"volume": 178.95065369440016,
"volume_molar": 13.470825320521149,
"formula_full": "Hf1 Mg6 Zr1",
"formula_reduced": "HfMg6Zr",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94205",
"created_at": "2022-09-04T14:36:03.414502Z",
"updated_at": "2022-09-04T14:36:03.414526Z",
"structure_string": "Mg6 Cu1 Si1\n1.0\n6.038409 -0.167167 0.000000\n-3.163975 5.480167 0.000000\n0.000000 0.000000 4.787578\nMg Cu Si\n6 1 1\ndirect\n0.675480 0.336622 0.250000 Mg\n0.675480 0.838857 0.250000 Mg\n0.320578 0.167107 0.750000 Mg\n0.320578 0.653473 0.750000 Mg\n0.838992 0.169496 0.750000 Mg\n0.836556 0.668278 0.750000 Mg\n0.162004 0.331002 0.250000 Cu\n0.170329 0.835165 0.250000 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.5293426491391795,
"density_atomic": 0.051316301694889675,
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"formula_full": "Mg6 Cu1 Si1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93200",
"created_at": "2022-09-04T14:36:03.716094Z",
"updated_at": "2022-09-04T14:36:03.716105Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.202574 0.493734 0.000000\n-3.173701 5.497011 0.000000\n0.000000 0.000000 5.132612\nSr Li Mg\n1 1 6\ndirect\n0.108271 0.804134 0.250000 Sr\n0.237133 0.368566 0.250000 Li\n0.632833 0.308193 0.250000 Mg\n0.632833 0.824637 0.250000 Mg\n0.357363 0.179521 0.750000 Mg\n0.357363 0.677843 0.750000 Mg\n0.903322 0.201661 0.750000 Mg\n0.770880 0.635441 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.03786870768914957,
"volume": 211.25621887256057,
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"formula_full": "Sr1 Li1 Mg6",
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"spacegroup": 38
},
{
"id": "jvasp-93062",
"created_at": "2022-09-04T14:36:03.853991Z",
"updated_at": "2022-09-04T14:36:03.854021Z",
"structure_string": "Na1 Mg6 Cr1\n1.0\n6.340252 -0.111555 0.000000\n-3.266736 5.658152 0.000000\n0.000000 0.000000 5.103206\nNa Mg Cr\n1 6 1\ndirect\n0.176472 0.338236 0.250000 Na\n0.672156 0.335353 0.250000 Mg\n0.672156 0.836801 0.250000 Mg\n0.324108 0.148953 0.750001 Mg\n0.324107 0.675155 0.750001 Mg\n0.824498 0.162248 0.750001 Mg\n0.834573 0.667286 0.750001 Mg\n0.171924 0.835962 0.250000 Cr\n",
"nsites": 8,
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],
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"volume": 181.21325694139466,
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"spacegroup": 38
},
{
"id": "jvasp-94151",
"created_at": "2022-09-04T14:36:03.860447Z",
"updated_at": "2022-09-04T14:36:03.860479Z",
"structure_string": "Mg6 Co1 Sn1\n1.0\n6.187235 -0.058851 0.000000\n-3.144583 5.446578 0.000000\n0.000000 0.000000 4.792674\nMg Co Sn\n6 1 1\ndirect\n0.673493 0.332607 0.250000 Mg\n0.673493 0.840886 0.250000 Mg\n0.324957 0.183545 0.749999 Mg\n0.324957 0.641413 0.749999 Mg\n0.850492 0.175247 0.749999 Mg\n0.824815 0.662408 0.749999 Mg\n0.159323 0.329661 0.250000 Co\n0.168471 0.834234 0.250000 Sn\n",
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"formula_full": "Mg6 Co1 Sn1",
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}
]
}