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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3403",
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"results": [
{
"id": "jvasp-52341",
"created_at": "2022-09-04T14:35:44.858593Z",
"updated_at": "2022-09-04T14:35:44.858638Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.235745 0.000000 0.000000\n0.000000 6.101279 0.000000\n0.000000 0.000000 7.689710\nSb O F\n4 4 4\ndirect\n0.378432 0.193259 0.089336 Sb\n0.878431 0.306741 0.589336 Sb\n0.378432 0.693259 0.410664 Sb\n0.878431 0.806741 0.910664 Sb\n0.731997 0.122427 0.924765 O\n0.231998 0.377574 0.424765 O\n0.731997 0.622427 0.575235 O\n0.231998 0.877574 0.075235 O\n0.175859 0.919185 0.721122 F\n0.675858 0.580815 0.221122 F\n0.175859 0.419185 0.778878 F\n0.675858 0.080815 0.278878 F\n",
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],
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"density": 5.23935232549964,
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"volume": 198.72872831331975,
"volume_molar": 9.973103124655076,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-50678",
"created_at": "2022-09-04T14:36:52.631792Z",
"updated_at": "2022-09-04T14:36:52.631812Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.528462 0.000000 -0.000000\n-0.000000 8.528462 -0.000000\n0.000000 0.000000 3.761222\nSb O F\n4 4 12\ndirect\n0.642424 0.142424 0.749952 Sb\n0.142424 0.357576 0.250047 Sb\n0.857576 0.642424 0.250047 Sb\n0.357576 0.857576 0.749952 Sb\n0.618309 0.118309 0.249953 O\n0.118309 0.381691 0.750047 O\n0.881691 0.618309 0.750047 O\n0.381691 0.881691 0.249953 O\n0.876748 0.862800 0.250090 F\n0.376748 0.637200 0.749910 F\n0.637200 0.623252 0.250090 F\n0.102682 0.602682 0.250022 F\n0.897318 0.397318 0.250022 F\n0.862800 0.123252 0.749910 F\n0.623252 0.362800 0.749910 F\n0.123252 0.137200 0.250090 F\n0.137200 0.876748 0.749910 F\n0.397318 0.102682 0.749978 F\n0.362800 0.376748 0.250090 F\n0.602682 0.897318 0.749978 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.728533054806536,
"density_atomic": 0.07310710568721351,
"volume": 273.5712187207818,
"volume_molar": 8.237421935106477,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3729720894999998,
"spacegroup": 136
},
{
"id": "jvasp-30212",
"created_at": "2022-09-04T14:37:07.523307Z",
"updated_at": "2022-09-04T14:37:07.523330Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.386077 -0.071309 0.193912\n-2.312092 4.996869 -0.041569\n-1.012965 -2.004132 7.560327\nSb O F\n4 4 12\ndirect\n0.210796 0.527294 0.526372 Sb\n0.423307 0.407224 0.181948 Sb\n0.576694 0.592776 0.818052 Sb\n0.789206 0.472707 0.473628 Sb\n0.321972 0.468389 0.731525 O\n0.398217 0.627809 0.390017 O\n0.601784 0.372192 0.609983 O\n0.678029 0.531612 0.268475 O\n0.909553 0.847823 0.607640 F\n0.726367 0.096511 0.372472 F\n0.348716 0.046719 0.218777 F\n0.480564 0.266385 0.939880 F\n0.519437 0.733616 0.060119 F\n0.195235 0.311245 0.047305 F\n0.273634 0.903489 0.627528 F\n0.090449 0.152177 0.392360 F\n0.804766 0.688755 -0.047306 F\n-0.013272 0.438303 0.642431 F\n0.651285 -0.046719 0.781223 F\n0.013273 0.561698 0.357569 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.084066352907251,
"density_atomic": 0.06314310739396936,
"volume": 316.7408261239635,
"volume_molar": 9.537289196785967,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3676700894999998,
"spacegroup": 2
},
{
"id": "jvasp-99671",
"created_at": "2022-09-04T14:36:33.709492Z",
"updated_at": "2022-09-04T14:36:33.709514Z",
"structure_string": "Sb1 O1 F3\n1.0\n3.674936 -0.135230 -3.406387\n-0.695425 3.364052 -3.650540\n0.121712 0.135230 5.009372\nSb O F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n-0.000001 0.500000 0.499999 O\n0.771975 0.771974 -0.000001 F\n0.500000 0.000000 0.500000 F\n0.228025 0.228025 -0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.971716148093701,
"density_atomic": 0.07686692123597375,
"volume": 65.04748622168047,
"volume_molar": 7.834502362222406,
"formula_full": "Sb1 O1 F3",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3708880894999998,
"spacegroup": 71
},
{
"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-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",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 9.097062913939324,
"density_atomic": 0.03330726738159684,
"volume": 60.04695543126584,
"volume_molar": 18.080560890826472,
"formula_full": "Sb1 Pb1",
"formula_reduced": "SbPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.66780346,
"spacegroup": 65
},
{
"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,
"nelements": 2,
"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",
"formula_anonymous": "AB3",
"energy_above_hull": 0.60244714,
"spacegroup": 187
},
{
"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-111010",
"created_at": "2022-09-04T14:38:48.488080Z",
"updated_at": "2022-09-04T14:38:48.488109Z",
"structure_string": "Sb1 Pb1 Br1 O2\n1.0\n3.771619 0.012342 -5.990649\n-0.303684 3.759394 -5.990649\n-0.011347 -0.012342 7.079044\nSb Pb Br O\n1 1 1 2\ndirect\n0.328855 0.328854 -0.000000 Sb\n0.639504 0.639502 -0.000000 Pb\n0.998571 0.998568 -0.000001 Br\n0.754437 0.254436 0.499999 O\n0.254437 0.754436 0.499999 O\n",
"nsites": 5,
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"elements": [
"Sb",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-O-Pb-Sb",
"density": 7.332116051608733,
"density_atomic": 0.05007797771404421,
"volume": 99.84428741414145,
"volume_molar": 12.025527057797124,
"formula_full": "Sb1 Pb1 Br1 O2",
"formula_reduced": "SbPbBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.140417605,
"spacegroup": 107
},
{
"id": "jvasp-12499",
"created_at": "2022-09-04T14:37:34.966118Z",
"updated_at": "2022-09-04T14:37:34.966131Z",
"structure_string": "Sb2 Pb2 Cl2 O4\n1.0\n5.496436 -0.000000 -0.000000\n-0.000000 5.134622 -2.353088\n-0.000000 0.000215 6.779085\nSb Pb Cl O\n2 2 2 4\ndirect\n0.250000 0.919026 0.838054 Sb\n0.750001 0.080973 0.161946 Sb\n0.250000 0.617719 0.235438 Pb\n0.750001 0.382279 0.764562 Pb\n0.750001 0.743686 0.487373 Cl\n0.250000 0.256313 0.512626 Cl\n0.500000 0.227743 -0.000000 O\n0.000000 0.772257 -0.000000 O\n0.500000 0.772257 -0.000000 O\n0.000000 0.227743 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Sb",
"density": 6.8811119344286,
"density_atomic": 0.05226764777028,
"volume": 191.32293926734002,
"volume_molar": 11.521736708848527,
"formula_full": "Sb2 Pb2 Cl2 O4",
"formula_reduced": "SbPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1555795975,
"spacegroup": 63
},
{
"id": "jvasp-121802",
"created_at": "2022-09-04T14:38:55.583076Z",
"updated_at": "2022-09-04T14:38:55.583104Z",
"structure_string": "Sb2 Pb2 F14\n1.0\n4.628096 -0.007450 -0.986834\n-0.526135 7.133059 -2.087868\n0.005039 -0.037733 7.659213\nSb Pb F\n2 2 14\ndirect\n0.351827 0.182919 0.282969 Sb\n0.648176 0.817082 0.717031 Sb\n0.830658 0.647424 0.203933 Pb\n0.169344 0.352577 0.796067 Pb\n0.791831 0.582476 0.599076 F\n0.208171 0.417525 0.400925 F\n0.344569 0.684997 0.774052 F\n0.655433 0.315004 0.225949 F\n0.413166 0.800952 0.475175 F\n0.586836 0.199048 0.524825 F\n0.484524 0.945810 0.168735 F\n0.112238 0.185232 0.046552 F\n0.951585 0.947282 0.659109 F\n0.048418 0.052718 0.340891 F\n0.281533 0.565222 0.093002 F\n0.718469 0.434779 0.906998 F\n0.515478 0.054190 0.831265 F\n0.887764 0.814769 0.953448 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"F"
],
"chemical_system": "F-Pb-Sb",
"density": 6.076612339546273,
"density_atomic": 0.07129532922652185,
"volume": 252.47095700771382,
"volume_molar": 8.446753560624227,
"formula_full": "Sb2 Pb2 F14",
"formula_reduced": "SbPbF7",
"formula_anonymous": "ABC7",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-102686",
"created_at": "2022-09-04T14:36:54.444822Z",
"updated_at": "2022-09-04T14:36:54.444842Z",
"structure_string": "Sb1 Pb1 I1 O2\n1.0\n3.836883 0.008946 -6.382962\n-0.287660 3.826095 -6.382962\n-0.008280 -0.008946 7.447403\nSb Pb I O\n1 1 1 2\ndirect\n0.323081 0.323082 0.000001 Sb\n0.648086 0.648088 0.000001 Pb\n0.993841 0.993844 0.000002 I\n0.753895 0.253896 0.500000 O\n0.253895 0.753896 0.500000 O\n",
"nsites": 5,
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"elements": [
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"I",
"O"
],
"chemical_system": "I-O-Pb-Sb",
"density": 7.438271913921167,
"density_atomic": 0.04590868307453012,
"volume": 108.9118586103371,
"volume_molar": 13.117650859693361,
"formula_full": "Sb1 Pb1 I1 O2",
"formula_reduced": "SbPbIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.114536039,
"spacegroup": 107
}
]
}