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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1533",
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"results": [
{
"id": "jvasp-15572",
"created_at": "2022-09-04T14:36:57.733188Z",
"updated_at": "2022-09-04T14:36:57.733208Z",
"structure_string": "Li1 Ga2 Ir1\n1.0\n3.732263 0.000000 2.154823\n1.244088 3.518811 2.154823\n-0.000000 -0.000000 4.309646\nLi Ga Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Li",
"density": 9.934165781297265,
"density_atomic": 0.07067246067834015,
"volume": 56.599132980605674,
"volume_molar": 8.521198642579144,
"formula_full": "Li1 Ga2 Ir1",
"formula_reduced": "LiGa2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-18858",
"created_at": "2022-09-04T14:37:00.454497Z",
"updated_at": "2022-09-04T14:37:00.454514Z",
"structure_string": "Li2 Ga1 Ir1\n1.0\n3.657233 0.000000 2.111504\n1.219077 3.448072 2.111504\n0.000000 0.000000 4.223009\nLi Ga Ir\n2 1 1\ndirect\n0.500000 0.500000 0.499999 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.749999 Ga\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Ir-Li",
"density": 8.600566100561613,
"density_atomic": 0.07511194856271824,
"volume": 53.25384411589339,
"volume_molar": 8.017553631925194,
"formula_full": "Li2 Ga1 Ir1",
"formula_reduced": "Li2GaIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2730683562499998,
"spacegroup": 216
},
{
"id": "jvasp-56531",
"created_at": "2022-09-04T14:37:33.324900Z",
"updated_at": "2022-09-04T14:37:33.324923Z",
"structure_string": "Li2 Ga1 Ir1\n1.0\n3.592641 -0.000000 2.074213\n1.197547 3.387175 2.074213\n-0.000000 0.000000 4.148426\nLi Ga Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.749999 0.750000 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Li",
"density": 9.072838828993115,
"density_atomic": 0.07923648228186556,
"volume": 50.48179682902783,
"volume_molar": 7.60021215805318,
"formula_full": "Li2 Ga1 Ir1",
"formula_reduced": "Li2GaIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3250333562499996,
"spacegroup": 225
},
{
"id": "jvasp-99725",
"created_at": "2022-09-04T14:36:31.658294Z",
"updated_at": "2022-09-04T14:36:31.658317Z",
"structure_string": "Rb2 Tl1 Ga1 I6\n1.0\n7.383118 -0.000000 4.262645\n2.461040 6.960870 4.262645\n0.000000 0.000000 8.525290\nRb Tl Ga I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.766953 0.233047 0.233047 I\n0.233047 0.233047 0.766953 I\n0.233047 0.766953 0.766954 I\n0.233047 0.766953 0.233047 I\n0.766953 0.233047 0.766954 I\n0.766954 0.766953 0.233047 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Ga",
"I"
],
"chemical_system": "Ga-I-Rb-Tl",
"density": 4.5724890097720925,
"density_atomic": 0.022823776525193684,
"volume": 438.13958610055835,
"volume_molar": 26.38538260025702,
"formula_full": "Rb2 Tl1 Ga1 I6",
"formula_reduced": "Rb2TlGaI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102090",
"created_at": "2022-09-04T14:36:33.066878Z",
"updated_at": "2022-09-04T14:36:33.066900Z",
"structure_string": "Rb3 Ga1 I6\n1.0\n7.527152 0.000000 4.345803\n2.509050 7.096667 4.345803\n-0.000000 -0.000000 8.691607\nRb Ga I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.772920 0.227080 0.227079 I\n0.227080 0.227080 0.772921 I\n0.227079 0.772921 0.772920 I\n0.227079 0.772921 0.227079 I\n0.772920 0.227080 0.772920 I\n0.772920 0.772921 0.227079 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"I"
],
"chemical_system": "Ga-I-Rb",
"density": 3.889684908086001,
"density_atomic": 0.021538467824716176,
"volume": 464.28557877847913,
"volume_molar": 27.959931082420702,
"formula_full": "Rb3 Ga1 I6",
"formula_reduced": "Rb3GaI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96918",
"created_at": "2022-09-04T14:35:53.229873Z",
"updated_at": "2022-09-04T14:35:53.229896Z",
"structure_string": "Ga12 Ir6\n1.0\n3.914350 -0.000000 0.000000\n-1.957175 6.583305 -0.000000\n0.000000 -0.000000 11.027391\nGa Ir\n12 6\ndirect\n0.442114 0.884225 0.605396 Ga\n0.178447 0.356893 0.018731 Ga\n0.821554 0.643106 0.981269 Ga\n0.958305 0.916608 0.250000 Ga\n0.765820 0.531639 0.250000 Ga\n0.234181 0.468361 0.750000 Ga\n0.041696 0.083392 0.750000 Ga\n0.821554 0.643106 0.518731 Ga\n0.442114 0.884225 0.894604 Ga\n0.557887 0.115774 0.105396 Ga\n0.557887 0.115774 0.394604 Ga\n0.178447 0.356893 0.481269 Ga\n0.146655 0.293310 0.250000 Ir\n0.639962 0.279923 0.621971 Ir\n0.360039 0.720076 0.378029 Ir\n0.360039 0.720076 0.121971 Ir\n0.639962 0.279923 0.878028 Ir\n0.853346 0.706689 0.750000 Ir\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 11.62842690951116,
"density_atomic": 0.06334263124676089,
"volume": 284.16880773200364,
"volume_molar": 9.50724755424168,
"formula_full": "Ga12 Ir6",
"formula_reduced": "Ga2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9700385833333334,
"spacegroup": 63
},
{
"id": "jvasp-16516",
"created_at": "2022-09-04T14:38:16.876055Z",
"updated_at": "2022-09-04T14:38:16.876086Z",
"structure_string": "Ga1 Ir1\n1.0\n3.060231 -0.000000 0.000000\n0.000000 3.060231 0.000000\n-0.000000 0.000000 3.060231\nGa Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 15.177082328737246,
"density_atomic": 0.06978584877555903,
"volume": 28.659105464666304,
"volume_molar": 8.629458358195285,
"formula_full": "Ga1 Ir1",
"formula_reduced": "GaIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.2170017124999997,
"spacegroup": 221
},
{
"id": "jvasp-116107",
"created_at": "2022-09-04T14:38:47.168191Z",
"updated_at": "2022-09-04T14:38:47.168218Z",
"structure_string": "Ga1 Pd1 I4\n1.0\n-3.018179 3.018179 5.984083\n3.018179 -3.018179 5.984083\n3.018179 3.018179 -5.984083\nGa Pd I\n1 1 4\ndirect\n0.250000 0.749999 0.499999 Ga\n0.500000 0.500000 -0.000000 Pd\n0.643356 0.109824 0.002560 I\n0.890175 0.892736 0.533532 I\n0.359204 0.356643 0.466467 I\n0.107263 0.640795 -0.002561 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Pd",
"I"
],
"chemical_system": "Ga-I-Pd",
"density": 5.207218018796432,
"density_atomic": 0.027517163504326803,
"volume": 218.0457298608034,
"volume_molar": 21.885034622311558,
"formula_full": "Ga1 Pd1 I4",
"formula_reduced": "GaPdI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1608654749999999,
"spacegroup": 82
},
{
"id": "jvasp-5815",
"created_at": "2022-09-04T14:37:55.089155Z",
"updated_at": "2022-09-04T14:37:55.089186Z",
"structure_string": "Ga2 Pd1 I8\n1.0\n7.559239 -0.027943 0.558584\n0.291948 7.162682 3.631769\n-0.059509 0.109142 8.035144\nGa Pd I\n2 1 8\ndirect\n0.658474 0.211187 0.211187 Ga\n0.341526 0.788813 0.788813 Ga\n0.000000 0.000000 0.000000 Pd\n0.144854 0.656334 0.108566 I\n0.855146 0.891434 0.343665 I\n0.344596 0.158005 0.158004 I\n0.655404 0.841995 0.841995 I\n0.144854 0.108565 0.656334 I\n0.855146 0.343666 0.891434 I\n0.682150 0.392858 0.392857 I\n0.317851 0.607142 0.607142 I\n",
"nsites": 11,
"nelements": 3,
"elements": [
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"Pd",
"I"
],
"chemical_system": "Ga-I-Pd",
"density": 4.843108260553233,
"density_atomic": 0.02544003081730246,
"volume": 432.38941332251056,
"volume_molar": 23.671908274199804,
"formula_full": "Ga2 Pd1 I8",
"formula_reduced": "Ga2PdI8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-57102",
"created_at": "2022-09-04T14:38:17.326360Z",
"updated_at": "2022-09-04T14:38:17.326394Z",
"structure_string": "Ga2 I6 O18\n1.0\n4.569838 -7.915191 0.000000\n4.569838 7.915191 0.000000\n0.000000 0.000000 5.244519\nGa I O\n2 6 18\ndirect\n0.666667 0.333333 0.607792 Ga\n0.333333 0.666667 0.107792 Ga\n0.686487 0.023007 0.238448 I\n0.313513 0.976993 0.738448 I\n0.023007 0.336521 0.738448 I\n0.336521 0.313513 0.238448 I\n0.663479 0.686488 0.738448 I\n0.976993 0.663479 0.238448 I\n0.807065 0.282341 0.840852 O\n0.447720 0.571996 0.893875 O\n0.524724 0.807065 0.340852 O\n0.282341 0.475277 0.340852 O\n0.124276 0.552281 0.893875 O\n0.428005 0.875724 0.893875 O\n0.945929 0.779150 0.492485 O\n0.475276 0.192936 0.840852 O\n0.220850 0.166779 0.492485 O\n0.717659 0.524724 0.840852 O\n0.054072 0.220850 0.992485 O\n0.166779 0.945929 0.992485 O\n0.779150 0.833222 0.992485 O\n0.875724 0.447720 0.393875 O\n0.571995 0.124276 0.393875 O\n0.833222 0.054072 0.492485 O\n0.552281 0.428005 0.393875 O\n0.192936 0.717659 0.340852 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"I",
"O"
],
"chemical_system": "Ga-I-O",
"density": 5.203345788115107,
"density_atomic": 0.06852917212504517,
"volume": 379.4004683517525,
"volume_molar": 8.787703941631458,
"formula_full": "Ga2 I6 O18",
"formula_reduced": "Ga(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 1.865580203846154,
"spacegroup": 173
},
{
"id": "jvasp-109617",
"created_at": "2022-09-04T14:38:27.229603Z",
"updated_at": "2022-09-04T14:38:27.229628Z",
"structure_string": "Yb2 In1 Ga1\n1.0\n4.517464 -0.000000 2.608159\n1.505821 4.259106 2.608159\n-0.000000 -0.000000 5.216318\nYb In Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.749999 0.750001 0.750001 Yb\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.77922789536029,
"density_atomic": 0.0398549971963031,
"volume": 100.3638259036444,
"volume_molar": 15.11012717009702,
"formula_full": "Yb2 In1 Ga1",
"formula_reduced": "Yb2InGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103405",
"created_at": "2022-09-04T14:36:50.714098Z",
"updated_at": "2022-09-04T14:36:50.714126Z",
"structure_string": "Tl1 In2 Ga1 Te4\n1.0\n6.771950 -0.034231 -1.792478\n-2.721798 5.457430 -3.446987\n-0.028656 0.034231 7.005102\nTl In Ga Te\n1 2 1 4\ndirect\n-0.000001 0.500000 0.499999 Tl\n0.500000 0.500000 -0.000000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Ga\n0.852886 0.409065 0.909972 Te\n0.147113 0.057086 0.556178 Te\n0.499092 0.942914 0.090027 Te\n0.500907 0.590935 0.443821 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"In",
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],
"chemical_system": "Ga-In-Te-Tl",
"density": 6.50401928276077,
"density_atomic": 0.030897533523707877,
"volume": 258.92034371810126,
"volume_molar": 19.49068444372484,
"formula_full": "Tl1 In2 Ga1 Te4",
"formula_reduced": "TlIn2GaTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1887244914583333,
"spacegroup": 23
}
]
}