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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3810",
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"results": [
{
"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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"formula_full": "K1 Li1 Mg6",
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{
"id": "jvasp-86845",
"created_at": "2022-09-04T14:35:45.088390Z",
"updated_at": "2022-09-04T14:35:45.088415Z",
"structure_string": "Na1 Li5 N2\n1.0\n3.590111 0.000000 0.000000\n0.000000 3.757556 -0.556829\n0.000000 -0.785845 7.391226\nNa Li N\n1 5 2\ndirect\n0.500000 0.743249 0.878152 Na\n0.000000 0.129469 0.648951 Li\n0.500000 0.930718 0.244426 Li\n0.500000 0.574849 0.538894 Li\n0.000000 0.489200 0.361773 Li\n0.000000 0.343714 0.072173 Li\n0.500000 0.408007 0.198273 N\n0.000000 0.624792 0.639358 N\n",
"nsites": 8,
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"elements": [
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],
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"formula_full": "Na1 Li5 N2",
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{
"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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"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 1.7874488358503926,
"density_atomic": 0.03539298789646594,
"volume": 226.03347373220268,
"volume_molar": 17.015067441088586,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0368617874999999,
"spacegroup": 38
},
{
"id": "jvasp-90106",
"created_at": "2022-09-04T14:35:45.259101Z",
"updated_at": "2022-09-04T14:35:45.259127Z",
"structure_string": "Pu3 Ga3 Ni3\n1.0\n0.000000 0.000000 -4.408108\n-3.186364 -5.518947 0.000000\n-2.945838 5.380078 0.000000\nPu Ga Ni\n3 3 3\ndirect\n0.500000 0.505416 -0.000001 Pu\n0.500000 0.443071 0.349835 Pu\n0.500000 0.093236 0.650165 Pu\n0.000000 0.233304 -0.000000 Ga\n0.000000 0.756169 0.754892 Ga\n0.000000 0.001277 0.245108 Ga\n0.000000 0.350795 0.654863 Ni\n0.000000 0.695932 0.345137 Ni\n0.500000 0.920701 -0.000001 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pu",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Pu",
"density": 12.60056201419366,
"density_atomic": 0.06112702727173669,
"volume": 147.23438062824513,
"volume_molar": 9.851846276163439,
"formula_full": "Pu3 Ga3 Ni3",
"formula_reduced": "PuGaNi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.521368241666666,
"spacegroup": 38
},
{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Rb",
"density": 2.287126172274002,
"density_atomic": 0.03660450241331852,
"volume": 218.5523493713496,
"volume_molar": 16.45191264178706,
"formula_full": "Rb1 Mg6 Ga1",
"formula_reduced": "RbMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"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",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Co"
],
"chemical_system": "Co-Cr-Mg",
"density": 2.8286817050049295,
"density_atomic": 0.0530760746906189,
"volume": 150.72704691581092,
"volume_molar": 11.346243660826715,
"formula_full": "Mg6 Cr1 Co1",
"formula_reduced": "Mg6CrCo",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94182",
"created_at": "2022-09-04T14:35:45.487063Z",
"updated_at": "2022-09-04T14:35:45.487093Z",
"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",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Ni"
],
"chemical_system": "Mg-Ni-Si",
"density": 2.547261449984299,
"density_atomic": 0.05275797103078451,
"volume": 151.63585414101624,
"volume_molar": 11.414655723750359,
"formula_full": "Mg6 Si1 Ni1",
"formula_reduced": "Mg6SiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92892",
"created_at": "2022-09-04T14:35:46.009360Z",
"updated_at": "2022-09-04T14:35:46.009389Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.180791 0.007951 0.000000\n-3.083509 5.340794 0.000000\n0.000000 0.000000 4.936702\nMg Cr Ga\n6 1 1\ndirect\n0.666687 0.331865 0.250000 Mg\n0.666687 0.834820 0.250000 Mg\n0.328010 0.168100 0.750000 Mg\n0.328010 0.659911 0.750000 Mg\n0.841915 0.170958 0.750000 Mg\n0.837507 0.668754 0.750000 Mg\n0.164786 0.332393 0.250000 Cr\n0.166397 0.833197 0.250000 Ga\n",
"nsites": 8,
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"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.724227424817672,
"density_atomic": 0.04905471487715351,
"volume": 163.0832025022304,
"volume_molar": 12.276375013250195,
"formula_full": "Mg6 Cr1 Ga1",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0007762499999999,
"spacegroup": 38
},
{
"id": "jvasp-92874",
"created_at": "2022-09-04T14:35:46.101397Z",
"updated_at": "2022-09-04T14:35:46.101413Z",
"structure_string": "Mg6 Cr1 W1\n1.0\n6.186779 -0.173269 0.000000\n-3.243445 5.271272 0.000000\n0.000000 0.000000 4.639695\nMg Cr W\n6 1 1\ndirect\n0.182157 0.840664 0.250000 Mg\n0.659336 0.317843 0.250000 Mg\n0.671162 0.828838 0.250000 Mg\n0.317025 0.662950 0.750001 Mg\n0.837050 0.182975 0.750001 Mg\n0.829908 0.670092 0.750001 Mg\n0.196341 0.303659 0.250000 Cr\n0.307022 0.192977 0.750001 W\n",
"nsites": 8,
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"elements": [
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"Cr",
"W"
],
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"density": 4.2619899485402355,
"density_atomic": 0.053798445073710614,
"volume": 148.70318257412453,
"volume_molar": 11.193893711516964,
"formula_full": "Mg6 Cr1 W1",
"formula_reduced": "Mg6CrW",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94752",
"created_at": "2022-09-04T14:35:46.104507Z",
"updated_at": "2022-09-04T14:35:46.104529Z",
"structure_string": "Mg6 Al1 Sb1\n1.0\n6.355327 -0.119211 0.000000\n-3.280903 5.444268 0.000000\n0.000000 0.000000 5.251183\nMg Al Sb\n6 1 1\ndirect\n0.160567 0.840019 0.250000 Mg\n0.659982 0.339434 0.250000 Mg\n0.666220 0.833781 0.250000 Mg\n0.337809 0.651461 0.750000 Mg\n0.848540 0.162192 0.750000 Mg\n0.833562 0.666439 0.750000 Mg\n0.142659 0.357342 0.250000 Al\n0.350669 0.149331 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"Sb"
],
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"density": 2.722968110732983,
"density_atomic": 0.04453409811803759,
"volume": 179.63763359024375,
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"formula_full": "Mg6 Al1 Sb1",
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-93181",
"created_at": "2022-09-04T14:35:46.113812Z",
"updated_at": "2022-09-04T14:35:46.113836Z",
"structure_string": "K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.286488969565795,
"density_atomic": 0.037047395822001436,
"volume": 215.9396044579473,
"volume_molar": 16.25523367130603,
"formula_full": "K1 Mg6 Cd1",
"formula_reduced": "KMg6Cd",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94765",
"created_at": "2022-09-04T14:35:46.700536Z",
"updated_at": "2022-09-04T14:35:46.700557Z",
"structure_string": "Mg6 Al1 W1\n1.0\n6.159406 -0.035759 0.000000\n-3.110671 5.316322 0.000000\n0.000000 0.000000 4.801856\nMg Al W\n6 1 1\ndirect\n0.177320 0.847555 0.250000 Mg\n0.652445 0.322680 0.250000 Mg\n0.669351 0.830649 0.250000 Mg\n0.326928 0.667640 0.750001 Mg\n0.832361 0.173072 0.750001 Mg\n0.831211 0.668790 0.750001 Mg\n0.188907 0.311093 0.250000 Al\n0.321480 0.178520 0.750001 W\n",
"nsites": 8,
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"elements": [
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],
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"formula_full": "Mg6 Al1 W1",
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}
]
}