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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=945",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=943",
"results": [
{
"id": "jvasp-4633",
"created_at": "2022-09-04T14:36:54.958255Z",
"updated_at": "2022-09-04T14:36:54.958265Z",
"structure_string": "Cd2 P2 S6\n1.0\n5.677879 -0.008005 4.822459\n2.226453 5.223148 4.822459\n-0.012133 -0.008006 7.449448\nCd P S\n2 2 6\ndirect\n0.672097 0.672096 0.672097 Cd\n0.328103 0.328102 0.328103 Cd\n0.941983 0.941981 0.941984 P\n0.058241 0.058241 0.058241 P\n0.901125 0.231531 0.605106 S\n0.605106 0.901123 0.231533 S\n0.768658 0.395123 0.099081 S\n0.099080 0.768658 0.395124 S\n0.395125 0.099080 0.768658 S\n0.231533 0.605105 0.901124 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.592224494159732,
"density_atomic": 0.04514755622978199,
"volume": 221.49593101128718,
"volume_molar": 13.338796743172207,
"formula_full": "Cd2 P2 S6",
"formula_reduced": "CdPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.35031305,
"spacegroup": 148
},
{
"id": "jvasp-4489",
"created_at": "2022-09-04T14:37:58.186371Z",
"updated_at": "2022-09-04T14:37:58.186394Z",
"structure_string": "Cd2 P2 S6\n1.0\n6.193905 -0.000438 -0.943192\n-3.311330 5.234459 -0.943192\n0.003725 0.006764 6.910566\nCd P S\n2 2 6\ndirect\n0.331816 0.668184 0.000000 Cd\n0.668184 0.331816 0.000000 Cd\n0.056093 0.056093 0.172281 P\n0.943905 0.943906 0.827720 P\n0.397684 0.084555 0.261360 S\n0.915443 0.602314 0.738640 S\n0.230924 0.230925 0.744230 S\n0.769074 0.769074 0.255770 S\n0.602314 0.915445 0.738640 S\n0.084555 0.397685 0.261361 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.55014028153888,
"density_atomic": 0.04461863623639765,
"volume": 224.12159679238474,
"volume_molar": 13.496918032397055,
"formula_full": "Cd2 P2 S6",
"formula_reduced": "CdPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.35067905,
"spacegroup": 12
},
{
"id": "jvasp-115845",
"created_at": "2022-09-04T14:38:39.580682Z",
"updated_at": "2022-09-04T14:38:39.580698Z",
"structure_string": "Cd1 P1 S4\n1.0\n-2.845443 2.845443 4.489913\n2.845443 -2.845443 4.489913\n2.845443 2.845443 -4.489913\nCd P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 P\n0.806659 0.374606 0.926598 S\n0.448008 0.880060 0.073402 S\n0.625393 0.551991 0.432052 S\n0.119939 0.193341 0.567947 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.1020781518517717,
"density_atomic": 0.04126231144209105,
"volume": 145.41114615987055,
"volume_molar": 14.594773170794566,
"formula_full": "Cd1 P1 S4",
"formula_reduced": "CdPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.563299208333333,
"spacegroup": 82
},
{
"id": "jvasp-118013",
"created_at": "2022-09-04T14:38:54.106384Z",
"updated_at": "2022-09-04T14:38:54.106419Z",
"structure_string": "Cd1 P1 S4\n1.0\n-3.210766 2.493801 4.401914\n3.210766 -2.493801 4.401914\n3.210766 2.493801 -4.401914\nCd P S\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 P\n0.628036 0.675730 0.568633 S\n0.371964 -0.059405 0.047693 S\n0.892902 0.324269 -0.047694 S\n0.107098 0.059403 0.431367 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"P",
"S"
],
"chemical_system": "Cd-P-S",
"density": 3.1994729119504224,
"density_atomic": 0.04255780843710366,
"volume": 140.98470340331133,
"volume_molar": 14.150495481693198,
"formula_full": "Cd1 P1 S4",
"formula_reduced": "CdPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.569479208333333,
"spacegroup": 23
},
{
"id": "jvasp-19619",
"created_at": "2022-09-04T14:38:33.267740Z",
"updated_at": "2022-09-04T14:38:33.267767Z",
"structure_string": "Cd2 Pt2\n1.0\n3.905969 -0.000000 0.000000\n0.000000 4.235363 0.000000\n0.000000 0.000000 4.235363\nCd Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 14.574950306549425,
"density_atomic": 0.05708866963454888,
"volume": 70.06644270405774,
"volume_molar": 10.548749512907767,
"formula_full": "Cd2 Pt2",
"formula_reduced": "CdPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.6235621333333332,
"spacegroup": 123
},
{
"id": "jvasp-39937",
"created_at": "2022-09-04T14:37:47.660817Z",
"updated_at": "2022-09-04T14:37:47.660834Z",
"structure_string": "Cd1 Pt3\n1.0\n4.042729 -0.000000 0.000000\n0.000000 4.042729 0.000000\n-0.000000 -0.000000 4.042729\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 17.533592104572342,
"density_atomic": 0.06053911972895156,
"volume": 66.07297922250898,
"volume_molar": 9.94751953276261,
"formula_full": "Cd1 Pt3",
"formula_reduced": "CdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.717829266666667,
"spacegroup": 221
},
{
"id": "jvasp-79631",
"created_at": "2022-09-04T14:37:17.357087Z",
"updated_at": "2022-09-04T14:37:17.357112Z",
"structure_string": "Cd1 Pt3\n1.0\n0.000000 0.000000 2.862771\n3.949581 2.913486 0.000000\n-3.949581 2.913486 0.000000\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500001 0.500001 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 17.583860241145892,
"density_atomic": 0.06071268306499974,
"volume": 65.8840920556509,
"volume_molar": 9.919081905098187,
"formula_full": "Cd1 Pt3",
"formula_reduced": "CdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7155817666666673,
"spacegroup": 65
},
{
"id": "jvasp-2472",
"created_at": "2022-09-04T14:36:48.951771Z",
"updated_at": "2022-09-04T14:36:48.951790Z",
"structure_string": "Cd1 Pt1 F6\n1.0\n4.588071 0.013736 3.434007\n1.726744 4.250758 3.434006\n0.020341 0.013737 5.730827\nCd Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.500001 0.500001 Pt\n0.099500 0.443807 0.721815 F\n0.443805 0.721815 0.099502 F\n0.278184 0.900500 0.556195 F\n0.556193 0.278186 0.900500 F\n0.900498 0.556195 0.278186 F\n0.721814 0.099502 0.443806 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Pt",
"F"
],
"chemical_system": "Cd-F-Pt",
"density": 6.293991059995893,
"density_atomic": 0.071942322826764,
"volume": 111.20019045345362,
"volume_molar": 8.370789993118823,
"formula_full": "Cd1 Pt1 F6",
"formula_reduced": "CdPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-10222",
"created_at": "2022-09-04T14:38:13.675130Z",
"updated_at": "2022-09-04T14:38:13.675149Z",
"structure_string": "Cd1 Pt3 O6\n1.0\n3.221194 0.000000 0.000000\n0.000000 5.945832 -2.094262\n0.000000 0.000049 6.303876\nCd Pt O\n1 3 6\ndirect\n0.000000 0.500000 0.500000 Cd\n0.499999 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.499999 0.000000 0.500000 Pt\n0.000000 0.924088 0.665188 O\n0.000000 0.075911 0.334812 O\n0.000000 0.665188 0.924089 O\n0.000000 0.334812 0.075911 O\n0.499999 0.337743 0.662257 O\n0.499999 0.662256 0.337744 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Pt",
"O"
],
"chemical_system": "Cd-O-Pt",
"density": 10.915531706836786,
"density_atomic": 0.08282503606903759,
"volume": 120.73644002599222,
"volume_molar": 7.270918366978233,
"formula_full": "Cd1 Pt3 O6",
"formula_reduced": "Cd(PtO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.365389495,
"spacegroup": 65
},
{
"id": "jvasp-80227",
"created_at": "2022-09-04T14:37:07.205085Z",
"updated_at": "2022-09-04T14:37:07.205108Z",
"structure_string": "Cd1 Rh2 Pb1\n1.0\n-10.605708 2.788796 -1.554549\n-7.524870 1.638491 1.558664\n-6.598998 4.264391 -0.045475\nCd Rh Pb\n1 2 1\ndirect\n0.999999 -0.000000 0.000001 Cd\n0.748280 0.002067 0.002071 Rh\n0.251721 0.997933 0.997929 Rh\n0.499999 0.000000 0.000001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Rh",
"Pb"
],
"chemical_system": "Cd-Pb-Rh",
"density": 11.676639677933066,
"density_atomic": 0.05353286902232074,
"volume": 74.7204488205589,
"volume_molar": 11.24942651119454,
"formula_full": "Cd1 Rh2 Pb1",
"formula_reduced": "CdRh2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0592516425,
"spacegroup": 12
},
{
"id": "jvasp-17303",
"created_at": "2022-09-04T14:38:31.907932Z",
"updated_at": "2022-09-04T14:38:31.907958Z",
"structure_string": "Cd1 Rh1 F6\n1.0\n4.575288 0.016452 3.360822\n1.710412 4.243586 3.360822\n0.024275 0.016453 5.676953\nCd Rh F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Rh\n0.395121 0.057494 0.780021 F\n0.057494 0.780022 0.395119 F\n0.219979 0.604880 0.942504 F\n0.942507 0.219978 0.604879 F\n0.604880 0.942506 0.219977 F\n0.780022 0.395120 0.057494 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Rh",
"F"
],
"chemical_system": "Cd-F-Rh",
"density": 4.991183791370379,
"density_atomic": 0.07302029713574305,
"volume": 109.55857910476843,
"volume_molar": 8.247214810431378,
"formula_full": "Cd1 Rh1 F6",
"formula_reduced": "CdRhF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-11166",
"created_at": "2022-09-04T14:37:20.035177Z",
"updated_at": "2022-09-04T14:37:20.035204Z",
"structure_string": "Cd2 Rh4 O8\n1.0\n5.427583 0.000000 3.133616\n1.809194 5.117175 3.133616\n0.000000 0.000000 6.267234\nCd Rh O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.874999 0.874999 0.875001 Cd\n0.500000 -0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.499999 0.500000 0.000001 Rh\n0.499999 0.500000 0.500001 Rh\n0.731529 0.731529 0.731530 O\n0.268470 0.268470 0.694587 O\n0.268470 0.694586 0.268472 O\n0.694586 0.268470 0.268471 O\n0.731529 0.305413 0.731530 O\n0.305413 0.731529 0.731530 O\n0.268470 0.268470 0.268471 O\n0.731529 0.731529 0.305414 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Rh",
"O"
],
"chemical_system": "Cd-O-Rh",
"density": 7.2925496315807985,
"density_atomic": 0.08042950250874023,
"volume": 174.0654804930396,
"volume_molar": 7.487477321329419,
"formula_full": "Cd2 Rh4 O8",
"formula_reduced": "Cd(RhO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.06265425,
"spacegroup": 227
}
]
}