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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3833",
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"results": [
{
"id": "jvasp-70348",
"created_at": "2022-09-04T14:35:43.326451Z",
"updated_at": "2022-09-04T14:35:43.326480Z",
"structure_string": "Na1 La1 Be2\n1.0\n3.482853 0.000000 0.000000\n0.000000 3.482853 -0.000000\n0.000000 0.000000 7.243299\nNa La Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.746234 Be\n0.000000 0.000000 0.253766 Be\n",
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"volume": 87.86313648626886,
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{
"id": "jvasp-117090",
"created_at": "2022-09-04T14:38:48.236410Z",
"updated_at": "2022-09-04T14:38:48.236435Z",
"structure_string": "Na8 Fe4 O8\n1.0\n5.665247 -0.461399 -0.077051\n-1.340016 7.767774 -0.127321\n-0.091698 -0.111591 6.028728\nNa Fe O\n8 4 8\ndirect\n0.502076 0.016380 0.249502 Na\n0.013203 0.036492 0.253178 Na\n0.986696 0.963535 0.746837 Na\n0.497783 0.983582 0.750590 Na\n0.896416 0.330821 0.876532 Na\n0.350857 0.312887 0.632459 Na\n0.649283 0.687146 0.367596 Na\n0.103788 0.669180 0.123430 Na\n0.177151 0.638475 0.593807 Fe\n0.822723 0.361472 0.406071 Fe\n0.608008 0.640232 0.864864 Fe\n0.392114 0.359725 0.135241 Fe\n0.808035 0.146378 0.538100 O\n0.293246 0.145015 0.970378 O\n0.706636 0.854988 0.029651 O\n0.191791 0.853614 0.461901 O\n0.739720 0.469720 0.143091 O\n0.221943 0.467691 0.353379 O\n0.778136 0.532293 0.646604 O\n0.260386 0.530368 0.856793 O\n",
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"volume": 261.42262816659473,
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"formula_full": "Na8 Fe4 O8",
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"formula_anonymous": "AB2C2",
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"spacegroup": 2
},
{
"id": "jvasp-36567",
"created_at": "2022-09-04T14:37:28.287608Z",
"updated_at": "2022-09-04T14:37:28.287621Z",
"structure_string": "Cr4 N8\n1.0\n0.000000 4.652210 -0.014796\n4.570515 0.000000 0.000000\n0.000000 -3.622577 -7.339661\nCr N\n4 8\ndirect\n0.010568 0.488966 0.489594 Cr\n0.010568 0.511033 0.989594 Cr\n0.307311 0.122638 0.869196 Cr\n0.307311 0.877361 0.369196 Cr\n0.302814 0.255478 0.077063 N\n0.302814 0.744521 0.577063 N\n0.656855 0.266940 0.893986 N\n0.656855 0.733059 0.393986 N\n0.146905 0.226180 0.388982 N\n0.146904 0.773819 0.888982 N\n0.022914 0.294903 0.676369 N\n0.022915 0.705096 0.176369 N\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cr-N",
"density": 3.3999223740046087,
"density_atomic": 0.07677142507978968,
"volume": 156.30815746260046,
"volume_molar": 7.844247718133536,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.552011299999998,
"spacegroup": 7
},
{
"id": "jvasp-49387",
"created_at": "2022-09-04T14:36:59.129773Z",
"updated_at": "2022-09-04T14:36:59.129794Z",
"structure_string": "Ca8 V4 N12\n1.0\n5.593152 -0.000000 0.228013\n2.796576 5.207212 0.114006\n-0.001046 0.000000 11.613302\nCa V N\n8 4 12\ndirect\n0.535569 0.406719 0.147910 Ca\n0.384811 0.774720 0.422760 Ca\n0.615189 0.225279 0.577240 Ca\n0.159531 0.225279 0.922760 Ca\n0.942287 0.593281 0.647910 Ca\n0.464432 0.593281 0.852090 Ca\n0.057713 0.406719 0.352090 Ca\n0.840469 0.774720 0.077240 Ca\n0.768261 0.998939 0.337816 V\n0.231739 0.001061 0.662184 V\n0.767199 0.001061 0.837816 V\n0.232801 0.998939 0.162184 V\n0.907696 0.184607 0.750000 N\n0.807562 0.814143 0.463138 N\n0.621704 0.185857 0.963138 N\n0.337341 0.672976 0.628456 N\n0.989682 0.672976 0.871544 N\n0.662658 0.327023 0.371544 N\n0.010318 0.327023 0.128456 N\n0.504900 0.990202 0.250000 N\n0.495100 0.009797 0.750000 N\n0.092304 0.815393 0.250000 N\n0.378296 0.814143 0.036862 N\n0.192438 0.185857 0.536861 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"V",
"N"
],
"chemical_system": "Ca-N-V",
"density": 3.3996257937501224,
"density_atomic": 0.0709564772213744,
"volume": 338.2355063248605,
"volume_molar": 8.487090954659086,
"formula_full": "Ca8 V4 N12",
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"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-1921",
"created_at": "2022-09-04T14:36:20.846437Z",
"updated_at": "2022-09-04T14:36:20.846458Z",
"structure_string": "Rb1 Br1\n1.0\n4.202068 0.000000 2.426065\n1.400689 3.961748 2.426065\n0.000000 0.000000 4.852131\nRb Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500001 Br\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Br-Rb",
"density": 3.3996022649606643,
"density_atomic": 0.024759824074821617,
"volume": 80.77601819609896,
"volume_molar": 24.322227580461462,
"formula_full": "Rb1 Br1",
"formula_reduced": "RbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96492",
"created_at": "2022-09-04T14:36:10.978850Z",
"updated_at": "2022-09-04T14:36:10.978861Z",
"structure_string": "Mg8 Si4 O16\n1.0\n5.324734 0.000000 2.151354\n1.820722 6.740274 3.158801\n0.000819 0.009944 7.663175\nMg Si O\n8 4 16\ndirect\n0.377791 0.122209 0.622209 Mg\n0.122209 0.877790 0.377791 Mg\n0.622209 0.877790 0.377791 Mg\n0.877790 0.122209 0.622209 Mg\n0.749999 0.278806 0.221194 Mg\n0.250000 0.721193 0.778806 Mg\n0.500000 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.619513 0.763358 0.997613 Si\n0.880486 0.502386 0.736641 Si\n0.119513 0.497613 0.263359 Si\n0.380486 0.236641 0.002386 Si\n0.750000 0.531946 0.968052 O\n0.250000 0.468053 0.031947 O\n0.637524 0.615528 0.629905 O\n0.990916 0.263963 0.754202 O\n0.009083 0.736036 0.245798 O\n0.509083 0.745797 0.236036 O\n0.490916 0.254202 0.763963 O\n0.382959 0.870094 0.884471 O\n0.137524 0.129905 0.115529 O\n0.117041 0.615528 0.629905 O\n0.362476 0.384471 0.370094 O\n0.617040 0.129905 0.115529 O\n0.862475 0.870094 0.884471 O\n0.882959 0.384471 0.370094 O\n0.250000 0.967774 0.532225 O\n0.750000 0.032225 0.467775 O\n",
"nsites": 28,
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"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.399531636265067,
"density_atomic": 0.10185802023777527,
"volume": 274.892442781014,
"volume_molar": 5.912289229598257,
"formula_full": "Mg8 Si4 O16",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.372815814285714,
"spacegroup": 74
},
{
"id": "jvasp-118467",
"created_at": "2022-09-04T14:38:49.847838Z",
"updated_at": "2022-09-04T14:38:49.847859Z",
"structure_string": "Rb2 H2 O2\n1.0\n4.144136 0.000000 -0.031674\n0.000000 4.172710 0.000000\n-1.408270 0.000000 5.800585\nRb H O\n2 2 2\ndirect\n0.826181 0.750000 0.211569 Rb\n0.173821 0.250000 0.788433 Rb\n0.521045 0.750000 0.579850 H\n0.478957 0.250000 0.420152 H\n0.675805 0.750000 0.731610 O\n0.324197 0.250000 0.268392 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"H",
"O"
],
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"density": 3.3992275597653467,
"density_atomic": 0.05992856466627645,
"volume": 100.11920080869841,
"volume_molar": 10.048865334144795,
"formula_full": "Rb2 H2 O2",
"formula_reduced": "RbHO",
"formula_anonymous": "ABC",
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"spacegroup": 11
},
{
"id": "jvasp-9272",
"created_at": "2022-09-04T14:38:34.741032Z",
"updated_at": "2022-09-04T14:38:34.741063Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.173096 0.272131 -0.043039\n0.790488 8.352687 -0.127499\n0.841637 0.006363 8.258038\nMg Mn O\n4 4 8\ndirect\n0.706741 0.936050 0.732680 Mg\n0.317530 0.084032 0.239123 Mg\n0.129999 0.282136 0.870792 Mg\n0.894236 0.737964 0.101001 Mg\n0.159213 0.776465 0.406907 Mn\n0.492591 0.623787 0.755024 Mn\n0.531628 0.396304 0.216777 Mn\n0.865005 0.243584 0.564888 Mn\n0.407405 0.247049 0.411779 O\n0.420615 0.634675 0.199893 O\n0.603635 0.385412 0.771897 O\n0.616821 0.773036 0.560021 O\n0.886968 0.939608 0.234236 O\n0.909832 0.745453 0.867721 O\n0.137300 0.080478 0.737563 O\n0.114401 0.274632 0.104076 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.3992182470956966,
"density_atomic": 0.07360744786296897,
"volume": 217.36930792365388,
"volume_molar": 8.18142855762517,
"formula_full": "Mg4 Mn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-71485",
"created_at": "2022-09-04T14:36:07.999474Z",
"updated_at": "2022-09-04T14:36:07.999483Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n2.994265 -0.000000 0.000000\n0.000000 2.994265 0.000000\n-0.000000 -0.000000 5.159352\nLi Be Ga\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.736284 Be\n0.000000 0.000000 0.263716 Be\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Ga-Li",
"density": 3.399148074497701,
"density_atomic": 0.08647376429814405,
"volume": 46.256804389928135,
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"formula_full": "Li1 Be2 Ga1",
"formula_reduced": "LiBe2Ga",
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"spacegroup": 123
},
{
"id": "jvasp-34255",
"created_at": "2022-09-04T14:37:13.373280Z",
"updated_at": "2022-09-04T14:37:13.373292Z",
"structure_string": "Rb4 C1 O4\n1.0\n6.521376 -0.423738 -1.228156\n-1.447212 5.644090 0.147337\n-0.744973 0.127941 5.779318\nRb C O\n4 1 4\ndirect\n0.640892 0.058811 0.575244 Rb\n0.093971 0.987795 0.429243 Rb\n0.640892 0.575244 0.058811 Rb\n0.093971 0.429242 0.987796 Rb\n0.411009 0.981659 0.981660 C\n0.324872 0.878605 0.172218 O\n0.324872 0.172217 0.878605 O\n0.655552 0.075884 0.075884 O\n0.352396 0.800302 0.800303 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "C-O-Rb",
"density": 3.398771164629588,
"density_atomic": 0.044082302516279454,
"volume": 204.1635642030343,
"volume_molar": 13.661130241044107,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 8
},
{
"id": "jvasp-10926",
"created_at": "2022-09-04T14:37:19.725513Z",
"updated_at": "2022-09-04T14:37:19.725523Z",
"structure_string": "Cr4 O10\n1.0\n3.563138 0.000000 0.000000\n0.000000 4.551040 0.000000\n0.000000 0.000000 11.086914\nCr O\n4 10\ndirect\n0.000000 0.880889 0.849112 Cr\n0.500000 0.119126 0.650898 Cr\n0.500000 0.119111 0.349112 Cr\n0.000000 0.880874 0.150898 Cr\n0.500000 0.993603 0.817655 O\n0.000000 0.006411 0.682354 O\n0.000000 0.006397 0.317655 O\n0.500000 0.993589 0.182354 O\n0.000000 0.534917 0.146871 O\n0.500000 0.465072 0.353135 O\n0.500000 0.465083 0.646871 O\n0.500000 0.010887 0.500005 O\n0.000000 -0.010887 0.000005 O\n0.000000 0.534928 0.853134 O\n",
"nsites": 14,
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"elements": [
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"density": 3.3987361430419254,
"density_atomic": 0.07787069690286068,
"volume": 179.7852151941598,
"volume_molar": 7.733513374758009,
"formula_full": "Cr4 O10",
"formula_reduced": "Cr2O5",
"formula_anonymous": "A2B5",
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"spacegroup": 59
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{
"id": "jvasp-3057",
"created_at": "2022-09-04T14:37:01.527002Z",
"updated_at": "2022-09-04T14:37:01.527027Z",
"structure_string": "Rb2 Ca2 Sb2\n1.0\n5.349519 0.000000 0.000000\n0.000000 5.349519 0.000000\n0.000000 0.000000 8.445083\nRb Ca Sb\n2 2 2\ndirect\n0.000000 0.500000 0.635253 Rb\n0.500000 0.000000 0.364746 Rb\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.802106 Sb\n0.000000 0.500000 0.197893 Sb\n",
"nsites": 6,
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],
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"formula_full": "Rb2 Ca2 Sb2",
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"spacegroup": 129
}
]
}