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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3620",
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"results": [
{
"id": "jvasp-57086",
"created_at": "2022-09-04T14:37:49.646889Z",
"updated_at": "2022-09-04T14:37:49.646914Z",
"structure_string": "K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "K-P-S-Ti",
"density": 2.3587398440665175,
"density_atomic": 0.04083793864001841,
"volume": 391.7925471468603,
"volume_molar": 14.746436672733305,
"formula_full": "K2 Ti2 P2 S10",
"formula_reduced": "KTiPS5",
"formula_anonymous": "ABCD5",
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"spacegroup": 12
},
{
"id": "jvasp-10688",
"created_at": "2022-09-04T14:37:07.355371Z",
"updated_at": "2022-09-04T14:37:07.355393Z",
"structure_string": "K1 V1 P2 S7\n1.0\n6.249819 0.016273 -0.613490\n-0.698965 6.388515 -0.715152\n0.022569 0.013609 6.466252\nK V P S\n1 1 2 7\ndirect\n0.500000 0.112943 0.887057 K\n-0.000000 0.500160 0.499840 V\n0.084049 0.051329 0.347902 P\n0.915950 0.652097 0.948670 P\n-0.000001 0.987713 0.012287 S\n0.764803 0.541301 0.184108 S\n0.291815 0.315082 0.369084 S\n0.708184 0.630915 0.684918 S\n0.819481 0.143176 0.477010 S\n0.180519 0.522989 0.856824 S\n0.235196 0.815891 0.458699 S\n",
"nsites": 11,
"nelements": 4,
"elements": [
"K",
"V",
"P",
"S"
],
"chemical_system": "K-P-S-V",
"density": 2.419042627808138,
"density_atomic": 0.04256853099108151,
"volume": 258.4068499405018,
"volume_molar": 14.146931124453632,
"formula_full": "K1 V1 P2 S7",
"formula_reduced": "KVP2S7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.433175745454545,
"spacegroup": 5
},
{
"id": "jvasp-78506",
"created_at": "2022-09-04T14:37:10.947440Z",
"updated_at": "2022-09-04T14:37:10.947465Z",
"structure_string": "K2 Pt1\n1.0\n-3.770224 -3.770224 -0.000000\n-3.770224 -0.000000 -3.770224\n-0.000000 -3.770224 -3.770224\nK Pt\n2 1\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 K\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Pt"
],
"chemical_system": "K-Pt",
"density": 4.233762026343124,
"density_atomic": 0.027989155698346795,
"volume": 107.18436927260359,
"volume_molar": 21.515978634381256,
"formula_full": "K2 Pt1",
"formula_reduced": "K2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1880724666666665,
"spacegroup": 225
},
{
"id": "jvasp-76260",
"created_at": "2022-09-04T14:36:43.840639Z",
"updated_at": "2022-09-04T14:36:43.840671Z",
"structure_string": "K4 Rb2 Pt2\n1.0\n-0.000000 -0.000000 5.354206\n7.482535 0.000000 0.000000\n0.000000 7.482535 0.000000\nK Rb Pt\n4 2 2\ndirect\n0.500000 0.677672 0.177673 K\n0.500000 0.322327 0.822327 K\n0.500000 0.822327 0.677672 K\n0.500000 0.177673 0.322327 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Rb",
"Pt"
],
"chemical_system": "K-Pt-Rb",
"density": 3.9744448555340095,
"density_atomic": 0.026686855045101224,
"volume": 299.7730525563941,
"volume_molar": 22.565943981868536,
"formula_full": "K4 Rb2 Pt2",
"formula_reduced": "K2RbPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-13114",
"created_at": "2022-09-04T14:36:47.604055Z",
"updated_at": "2022-09-04T14:36:47.604065Z",
"structure_string": "K2 Pt4 S6\n1.0\n6.221970 -0.066340 4.193658\n2.196064 5.821909 4.193658\n-0.097028 -0.066340 7.502684\nK Pt S\n2 4 6\ndirect\n0.694367 0.694368 0.694368 K\n0.305632 0.305632 0.305632 K\n0.500000 0.500000 0.500000 Pt\n-0.000000 -0.000000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.733867 0.221737 0.733868 S\n0.733867 0.733868 0.221737 S\n0.221736 0.733868 0.733868 S\n0.778263 0.266132 0.266132 S\n0.266132 0.778264 0.266133 S\n0.266132 0.266132 0.778263 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Pt",
"S"
],
"chemical_system": "K-Pt-S",
"density": 6.3140269341465824,
"density_atomic": 0.0434178033354718,
"volume": 276.3843188307076,
"volume_molar": 13.870210598793665,
"formula_full": "K2 Pt4 S6",
"formula_reduced": "KPt2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7284118,
"spacegroup": 166
},
{
"id": "jvasp-2682",
"created_at": "2022-09-04T14:36:39.800592Z",
"updated_at": "2022-09-04T14:36:39.800610Z",
"structure_string": "K2 Pt1 S2\n1.0\n3.484609 -0.000000 1.065196\n1.270735 5.638693 2.075258\n0.027806 0.011715 6.141288\nK Pt S\n2 1 2\ndirect\n0.806275 0.693726 0.693728 K\n0.193728 0.306273 0.306273 K\n0.000000 0.000000 0.000000 Pt\n0.500002 0.780451 0.219549 S\n0.500002 0.219548 0.780452 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Pt",
"S"
],
"chemical_system": "K-Pt-S",
"density": 4.652277395943349,
"density_atomic": 0.04151717424203488,
"volume": 120.4320884376965,
"volume_molar": 14.50517977185154,
"formula_full": "K2 Pt1 S2",
"formula_reduced": "K2PtS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7582394799999997,
"spacegroup": 71
},
{
"id": "jvasp-89986",
"created_at": "2022-09-04T14:35:44.321840Z",
"updated_at": "2022-09-04T14:35:44.321866Z",
"structure_string": "K2 Pt1 S6\n1.0\n-3.572159 -6.262358 0.088982\n-3.637281 6.299955 0.000000\n0.282438 0.163066 -4.850191\nK Pt S\n2 1 6\ndirect\n0.392392 0.696195 0.732043 K\n0.607608 0.303804 0.267957 K\n0.000000 0.000000 0.000000 Pt\n0.700402 0.850200 0.268467 S\n0.091075 0.748883 0.187359 S\n0.091075 0.342194 0.187359 S\n0.299598 0.149799 0.731534 S\n0.908925 0.251117 0.812642 S\n0.908925 0.657806 0.812642 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Pt",
"S"
],
"chemical_system": "K-Pt-S",
"density": 3.5241737729784304,
"density_atomic": 0.04101775692478669,
"volume": 219.4171664848249,
"volume_molar": 14.681789574799668,
"formula_full": "K2 Pt1 S6",
"formula_reduced": "K2PtS6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.553757488888889,
"spacegroup": 12
},
{
"id": "jvasp-2838",
"created_at": "2022-09-04T14:36:57.781458Z",
"updated_at": "2022-09-04T14:36:57.781479Z",
"structure_string": "K2 Pt1 Se2\n1.0\n3.624040 -0.000000 1.116782\n1.335964 5.853248 2.103228\n0.023756 0.019423 6.361442\nK Pt Se\n2 1 2\ndirect\n0.200316 0.299684 0.299684 K\n0.799684 0.700316 0.700316 K\n0.000000 0.000000 0.000000 Pt\n0.499999 0.775069 0.224931 Se\n0.500001 0.224930 0.775069 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Pt",
"Se"
],
"chemical_system": "K-Pt-Se",
"density": 5.317002386822863,
"density_atomic": 0.03712858563481659,
"volume": 134.6671281577543,
"volume_molar": 16.219688030219114,
"formula_full": "K2 Pt1 Se2",
"formula_reduced": "K2PtSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5603788266666665,
"spacegroup": 71
},
{
"id": "jvasp-11362",
"created_at": "2022-09-04T14:37:19.359390Z",
"updated_at": "2022-09-04T14:37:19.359416Z",
"structure_string": "K2 Pt4 Se6\n1.0\n6.469388 -0.074621 4.092577\n2.216277 6.078377 4.092577\n-0.107955 -0.074621 7.654445\nK Pt Se\n2 4 6\ndirect\n0.200956 0.200956 0.200955 K\n0.799045 0.799045 0.799044 K\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.499999 Pt\n0.500000 0.500000 0.000000 Pt\n0.762253 0.762254 0.275250 Se\n0.237747 0.724750 0.237747 Se\n0.762254 0.275250 0.762252 Se\n0.275251 0.762254 0.762252 Se\n0.237748 0.237747 0.724749 Se\n0.724750 0.237747 0.237747 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Pt",
"Se"
],
"chemical_system": "K-Pt-Se",
"density": 7.223162652082685,
"density_atomic": 0.0391795936462448,
"volume": 306.2818902194038,
"volume_molar": 15.370605459500975,
"formula_full": "K2 Pt4 Se6",
"formula_reduced": "KPt2Se3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4641534833333334,
"spacegroup": 166
},
{
"id": "jvasp-51119",
"created_at": "2022-09-04T14:36:53.428520Z",
"updated_at": "2022-09-04T14:36:53.428544Z",
"structure_string": "K1 Ta1 Pt1\n1.0\n-0.000000 3.223433 3.223433\n3.223433 0.000000 3.223433\n3.223433 3.223433 0.000000\nK Ta Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ta\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ta",
"Pt"
],
"chemical_system": "K-Pt-Ta",
"density": 10.290760396079701,
"density_atomic": 0.04478528228473414,
"volume": 66.98629207976664,
"volume_molar": 13.446695996494263,
"formula_full": "K1 Ta1 Pt1",
"formula_reduced": "KTaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.823582866666667,
"spacegroup": 216
},
{
"id": "jvasp-2844",
"created_at": "2022-09-04T14:37:01.990702Z",
"updated_at": "2022-09-04T14:37:01.990712Z",
"structure_string": "K2 Te2 Pt1\n1.0\n3.831379 -0.000000 1.167346\n1.433536 6.241811 2.166162\n0.033688 0.009809 6.760640\nK Te Pt\n2 2 1\ndirect\n0.206914 0.293086 0.293086 K\n0.793088 0.706914 0.706914 K\n0.500001 0.773711 0.226289 Te\n0.500001 0.226289 0.773711 Te\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Te",
"Pt"
],
"chemical_system": "K-Pt-Te",
"density": 5.438252188805722,
"density_atomic": 0.030984978616702137,
"volume": 161.36851542975734,
"volume_molar": 19.43567828300461,
"formula_full": "K2 Te2 Pt1",
"formula_reduced": "K2Te2Pt",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3813485866666669,
"spacegroup": 71
},
{
"id": "jvasp-2565",
"created_at": "2022-09-04T14:36:48.249265Z",
"updated_at": "2022-09-04T14:36:48.249276Z",
"structure_string": "K2 Zn2 P2\n1.0\n2.053906 -3.557468 0.000000\n2.053906 3.557468 0.000000\n0.000000 0.000000 10.059236\nK Zn P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.750000 Zn\n0.666668 0.333334 0.250000 P\n0.333334 0.666668 0.750000 P\n",
"nsites": 6,
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"elements": [
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"Zn",
"P"
],
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"density": 3.06084351315334,
"density_atomic": 0.040816399461599255,
"volume": 146.9997373395196,
"volume_molar": 14.754218499026916,
"formula_full": "K2 Zn2 P2",
"formula_reduced": "KZnP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}