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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3855",
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"results": [
{
"id": "jvasp-110178",
"created_at": "2022-09-04T14:38:19.249391Z",
"updated_at": "2022-09-04T14:38:19.249423Z",
"structure_string": "Sb1 Pb3\n1.0\n3.490567 -0.000000 0.000000\n-1.745284 3.022919 0.000000\n-0.000000 -0.000000 11.618294\nSb Pb\n1 3\ndirect\n0.333334 0.666667 0.500000 Sb\n0.333334 0.666667 -0.000000 Pb\n0.000000 0.000000 0.744605 Pb\n0.000000 0.000000 0.255394 Pb\n",
"nsites": 4,
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"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 10.068932621907527,
"density_atomic": 0.03262835211635691,
"volume": 122.5927679625218,
"volume_molar": 18.456772620708115,
"formula_full": "Sb1 Pb3",
"formula_reduced": "SbPb3",
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"spacegroup": 187
},
{
"id": "jvasp-104933",
"created_at": "2022-09-04T14:36:59.562036Z",
"updated_at": "2022-09-04T14:36:59.562062Z",
"structure_string": "Sb1 Pb1\n1.0\n3.378036 0.012717 0.000000\n-0.832734 3.273812 0.000000\n-0.000000 -0.000000 5.424470\nSb Pb\n1 1\ndirect\n0.500001 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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"volume": 60.04695543126584,
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"formula_full": "Sb1 Pb1",
"formula_reduced": "SbPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.66780346,
"spacegroup": 65
},
{
"id": "jvasp-12185",
"created_at": "2022-09-04T14:36:59.983169Z",
"updated_at": "2022-09-04T14:36:59.983196Z",
"structure_string": "Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 8.170895138344843,
"density_atomic": 0.034381135183983336,
"volume": 232.68574342265606,
"volume_molar": 17.515828746705985,
"formula_full": "Sb6 Pb2",
"formula_reduced": "Sb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.31753228,
"spacegroup": 194
},
{
"id": "jvasp-100755",
"created_at": "2022-09-04T14:36:39.603048Z",
"updated_at": "2022-09-04T14:36:39.603067Z",
"structure_string": "Sb2 Pb6\n1.0\n6.969925 -0.000000 0.000000\n-3.484962 6.036132 0.000000\n-0.000000 -0.000000 5.857512\nSb Pb\n2 6\ndirect\n0.333333 0.666666 0.750000 Sb\n0.666666 0.333333 0.250000 Sb\n0.168595 0.337190 0.250000 Pb\n0.662809 0.831405 0.250000 Pb\n0.168595 0.831405 0.250000 Pb\n0.831405 0.662809 0.750000 Pb\n0.337190 0.168595 0.750000 Pb\n0.831405 0.168595 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 10.017936185087903,
"density_atomic": 0.03246309828462405,
"volume": 246.4336561427087,
"volume_molar": 18.55072706616038,
"formula_full": "Sb2 Pb6",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59933714,
"spacegroup": 194
},
{
"id": "jvasp-123615",
"created_at": "2022-09-04T14:38:52.161670Z",
"updated_at": "2022-09-04T14:38:52.161715Z",
"structure_string": "Sb1 P3\n1.0\n3.437809 -0.000000 -1.100829\n-0.025607 4.556629 -0.079969\n-0.029198 -0.110315 5.827242\nSb P\n1 3\ndirect\n0.377303 0.919524 0.754609 Sb\n0.606988 0.113568 0.213975 P\n0.105880 0.437124 0.211759 P\n0.909827 0.529783 0.819656 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"P"
],
"chemical_system": "P-Sb",
"density": 3.913015360413801,
"density_atomic": 0.04390644334895126,
"volume": 91.10280165964623,
"volume_molar": 13.715847380618781,
"formula_full": "Sb1 P3",
"formula_reduced": "SbP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6521706500000004,
"spacegroup": 8
},
{
"id": "jvasp-2193",
"created_at": "2022-09-04T14:36:10.903324Z",
"updated_at": "2022-09-04T14:36:10.903343Z",
"structure_string": "Sb4 Os2\n1.0\n3.273357 0.000000 0.000000\n0.000000 6.019872 0.000000\n0.000000 0.000000 6.782937\nSb Os\n4 2\ndirect\n0.500000 0.318155 0.858130 Sb\n0.500000 0.681845 0.141871 Sb\n0.000000 0.181845 0.358130 Sb\n0.000000 0.818155 0.641871 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"Os"
],
"chemical_system": "Os-Sb",
"density": 10.77755300714839,
"density_atomic": 0.044890334026401135,
"volume": 133.65906336253255,
"volume_molar": 13.415228223648834,
"formula_full": "Sb4 Os2",
"formula_reduced": "Sb2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 2.720385733333334,
"spacegroup": 58
},
{
"id": "jvasp-29490",
"created_at": "2022-09-04T14:38:18.807941Z",
"updated_at": "2022-09-04T14:38:18.807963Z",
"structure_string": "Sb8 O12\n1.0\n3.356036 -0.000000 0.000000\n0.000000 7.739900 0.000000\n0.000000 0.000000 13.271029\nSb O\n8 12\ndirect\n0.749948 0.331186 0.615833 Sb\n0.250053 0.668814 0.384167 Sb\n0.250053 0.168814 0.115833 Sb\n0.750054 0.331186 0.884167 Sb\n0.750054 0.831186 0.615833 Sb\n0.749948 0.831186 0.884167 Sb\n0.249948 0.168814 0.384167 Sb\n0.249948 0.668814 0.115833 Sb\n0.750001 0.209094 0.750000 O\n0.749963 0.310141 0.426830 O\n0.750039 0.810141 0.426830 O\n0.750001 0.709094 0.750000 O\n0.250000 0.790906 0.250000 O\n0.749963 0.810141 0.073170 O\n0.250000 0.290906 0.250000 O\n0.750039 0.310141 0.073170 O\n0.250038 0.689859 0.573170 O\n0.250038 0.189859 0.926831 O\n0.249963 0.689859 0.926831 O\n0.249963 0.189859 0.573170 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.617048889249001,
"density_atomic": 0.058018091286494135,
"volume": 344.7200615621725,
"volume_molar": 10.379763667616341,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.97165654,
"spacegroup": 59
},
{
"id": "jvasp-9912",
"created_at": "2022-09-04T14:38:29.940088Z",
"updated_at": "2022-09-04T14:38:29.940107Z",
"structure_string": "Sb4 O8\n1.0\n3.300585 0.000000 0.000000\n-1.650294 5.294688 0.000000\n-0.000000 0.000000 11.133255\nSb O\n4 8\ndirect\n0.866604 0.733205 0.077861 Sb\n0.133399 0.266795 0.922139 Sb\n0.866604 0.733205 0.422139 Sb\n0.133399 0.266795 0.577860 Sb\n0.243585 0.487168 0.407555 O\n0.756418 0.512833 0.592444 O\n0.756418 0.512833 0.907555 O\n0.243585 0.487168 0.092444 O\n0.914844 0.829684 0.250000 O\n0.085159 0.170317 0.750000 O\n0.500001 -0.000000 0.000000 O\n0.500001 -0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.24923019250812,
"density_atomic": 0.061677646635867514,
"volume": 194.55995250346692,
"volume_molar": 9.763895168623268,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5145277000000004,
"spacegroup": 63
},
{
"id": "jvasp-9458",
"created_at": "2022-09-04T14:38:04.755877Z",
"updated_at": "2022-09-04T14:38:04.755899Z",
"structure_string": "Sb4 O8\n1.0\n6.236335 -0.021858 -0.029306\n-3.096414 5.996071 -0.007080\n-3.096672 -1.755742 5.733210\nSb O\n4 8\ndirect\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.557799 0.301822 0.813663 O\n0.057795 0.313662 0.801820 O\n0.015750 0.705793 0.794273 O\n0.942206 0.686338 0.198179 O\n0.484252 0.705726 0.794208 O\n0.515749 0.294273 0.205791 O\n0.984251 0.294207 0.205727 O\n0.442202 0.698177 0.186336 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "O-Sb",
"density": 4.789946370133531,
"density_atomic": 0.056281132430333065,
"volume": 213.21532602163003,
"volume_molar": 10.700105879096222,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.517941033333334,
"spacegroup": 74
},
{
"id": "jvasp-14096",
"created_at": "2022-09-04T14:37:03.655427Z",
"updated_at": "2022-09-04T14:37:03.655447Z",
"structure_string": "Sb8 O12\n1.0\n4.946369 0.000000 0.000000\n-0.000000 5.460806 0.000000\n0.000000 0.000000 12.487156\nSb O\n8 12\ndirect\n0.961639 0.177440 0.872767 Sb\n0.461639 0.322560 0.127234 Sb\n0.538361 0.177440 0.627234 Sb\n0.038361 0.322560 0.372766 Sb\n0.038361 0.822560 0.127234 Sb\n0.538361 0.677441 0.872767 Sb\n0.461639 0.822560 0.372766 Sb\n0.961639 0.677441 0.627234 Sb\n0.644561 0.348836 0.942133 O\n0.144561 0.151165 0.057868 O\n0.144561 0.651165 0.442132 O\n0.644561 0.848836 0.557868 O\n0.355439 0.651165 0.057868 O\n0.250000 0.489755 0.250000 O\n0.750000 0.510246 0.750000 O\n0.250000 0.989755 0.250000 O\n0.355439 0.151165 0.442132 O\n0.750000 0.010245 0.750000 O\n0.855439 0.848836 0.942133 O\n0.855439 0.348836 0.557868 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.740741155658558,
"density_atomic": 0.0592956997505612,
"volume": 337.2925875591967,
"volume_molar": 10.156117197930538,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93636054,
"spacegroup": 56
},
{
"id": "jvasp-10034",
"created_at": "2022-09-04T14:37:10.529304Z",
"updated_at": "2022-09-04T14:37:10.529330Z",
"structure_string": "Sb4 O8\n1.0\n5.983604 -0.741250 0.599312\n2.349861 5.552577 0.599312\n3.267158 1.886295 5.335245\nSb O\n4 8\ndirect\n0.096564 0.096563 0.903437 Sb\n0.153436 0.153436 0.346564 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.347803 0.347803 0.389127 O\n0.442385 0.800030 0.378792 O\n0.347803 0.347802 0.915268 O\n0.800030 0.442385 0.378792 O\n0.449970 0.807614 0.871208 O\n0.807615 0.449969 0.871208 O\n0.902196 0.902197 0.334733 O\n0.902196 0.902196 0.860874 O\n",
"nsites": 12,
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"density": 6.003277581438376,
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"volume": 170.12206466878794,
"volume_molar": 8.53749183181053,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.453751033333334,
"spacegroup": 74
},
{
"id": "jvasp-119150",
"created_at": "2022-09-04T14:38:51.403035Z",
"updated_at": "2022-09-04T14:38:51.403064Z",
"structure_string": "Sb6 O13\n1.0\n6.358777 0.000012 -3.729504\n-2.076970 5.993909 -3.755330\n0.008126 -0.000012 7.371783\nSb O\n6 13\ndirect\n0.247439 0.999636 0.247802 Sb\n0.751835 0.999636 0.752199 Sb\n0.746701 0.996211 0.249511 Sb\n0.746701 0.497190 0.750490 Sb\n0.252455 0.515605 0.263151 Sb\n0.252455 0.989304 0.736850 Sb\n0.654375 0.059333 0.981158 O\n0.654374 0.673216 0.595040 O\n0.078176 0.059333 0.404961 O\n0.676738 0.676738 0.000000 O\n0.069322 0.069322 0.000000 O\n0.839062 0.324890 0.908941 O\n0.839061 0.930121 0.514171 O\n0.078176 0.673216 0.018843 O\n0.415950 0.930121 0.091060 O\n0.816048 0.316047 0.500001 O\n0.426653 0.926652 0.500000 O\n0.415950 0.324890 0.485830 O\n0.163541 0.663540 0.500000 O\n",
"nsites": 19,
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"density": 5.543331626877027,
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"formula_full": "Sb6 O13",
"formula_reduced": "Sb6O13",
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"spacegroup": 44
}
]
}