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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4543",
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"results": [
{
"id": "jvasp-119031",
"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ag",
"S"
],
"chemical_system": "Ag-S-Si-Zn",
"density": 4.2894916889572015,
"density_atomic": 0.047236498402462516,
"volume": 338.72112754161924,
"volume_molar": 12.74891442775965,
"formula_full": "Zn2 Si2 Ag4 S8",
"formula_reduced": "ZnSi(AgS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.18281919,
"spacegroup": 7
},
{
"id": "jvasp-2256",
"created_at": "2022-09-04T14:36:54.714596Z",
"updated_at": "2022-09-04T14:36:54.714620Z",
"structure_string": "Zn2 Si2 As4\n1.0\n5.157559 0.000000 -2.360607\n-1.080446 5.043118 -2.360607\n0.008168 0.010104 6.832381\nZn Si As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.250000 0.499999 Si\n0.863066 0.875000 0.249999 As\n0.625000 0.136933 0.749999 As\n0.125000 0.613066 0.749999 As\n0.386933 0.375000 0.250000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Si",
"As"
],
"chemical_system": "As-Si-Zn",
"density": 4.541217019027277,
"density_atomic": 0.044954560053359086,
"volume": 177.95747507047898,
"volume_molar": 13.396062052107691,
"formula_full": "Zn2 Si2 As4",
"formula_reduced": "ZnSiAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4996356249999998,
"spacegroup": 122
},
{
"id": "jvasp-9498",
"created_at": "2022-09-04T14:38:10.040743Z",
"updated_at": "2022-09-04T14:38:10.040757Z",
"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Si-Zn",
"density": 4.814903504382221,
"density_atomic": 0.09990667492753373,
"volume": 160.1494595992253,
"volume_molar": 6.027766177152926,
"formula_full": "Zn2 Si2 Ni2 O10",
"formula_reduced": "ZnSiNiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.9200948625,
"spacegroup": 2
},
{
"id": "jvasp-35191",
"created_at": "2022-09-04T14:37:35.880075Z",
"updated_at": "2022-09-04T14:37:35.880103Z",
"structure_string": "Zn2 Si2 O6\n1.0\n-2.402275 -4.160863 -0.000000\n-4.804551 0.000000 0.000000\n-2.402275 -1.386954 -4.638711\nZn Si O\n2 2 6\ndirect\n0.630816 0.630817 0.107550 Zn\n0.369183 0.369185 0.892450 Zn\n0.839905 0.839908 0.480282 Si\n0.160094 0.160095 0.519717 Si\n0.562571 0.953658 0.284805 O\n0.198967 0.562572 0.284805 O\n0.953656 0.198969 0.284805 O\n0.437428 0.046345 0.715195 O\n0.801032 0.437431 0.715195 O\n0.046343 0.801034 0.715195 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 5.06733465575665,
"density_atomic": 0.10783666784766437,
"volume": 92.73283568188991,
"volume_molar": 5.584501895502915,
"formula_full": "Zn2 Si2 O6",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4118558999999995,
"spacegroup": 148
},
{
"id": "jvasp-2376",
"created_at": "2022-09-04T14:36:55.765701Z",
"updated_at": "2022-09-04T14:36:55.765711Z",
"structure_string": "Zn2 Si2 P4\n1.0\n4.934051 0.000000 -2.266816\n-1.041427 4.822892 -2.266816\n0.012167 0.015075 6.529726\nZn Si P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.249999 0.499999 Si\n0.391923 0.375000 0.249999 P\n0.858076 0.874999 0.249999 P\n0.125000 0.608076 0.750000 P\n0.625000 0.141923 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Si",
"P"
],
"chemical_system": "P-Si-Zn",
"density": 3.315125139426038,
"density_atomic": 0.05137388132191951,
"volume": 155.72115234724671,
"volume_molar": 11.722183734306553,
"formula_full": "Zn2 Si2 P4",
"formula_reduced": "ZnSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7885875,
"spacegroup": 122
},
{
"id": "jvasp-21357",
"created_at": "2022-09-04T14:37:14.310854Z",
"updated_at": "2022-09-04T14:37:14.310881Z",
"structure_string": "Zn2 Si4 Ni2 O12\n1.0\n5.168759 0.128755 1.203999\n1.446706 6.468679 0.532737\n0.186351 -0.104935 6.646416\nZn Si Ni O\n2 4 2 12\ndirect\n0.750000 0.239393 0.760609 Zn\n0.250001 0.760609 0.239393 Zn\n0.239977 0.217425 0.389330 Si\n0.260022 0.610671 0.782577 Si\n0.739977 0.389330 0.217425 Si\n0.760023 0.782577 0.610671 Si\n0.249999 0.096371 0.903632 Ni\n0.750000 0.903633 0.096369 Ni\n0.645897 0.960583 0.794533 O\n0.854104 0.205467 0.039419 O\n0.628140 0.623615 0.134386 O\n0.871860 0.865616 0.376386 O\n0.371860 0.376385 0.865615 O\n0.014549 0.610856 0.673118 O\n0.985450 0.389146 0.326883 O\n0.514551 0.673118 0.610857 O\n0.354103 0.039419 0.205468 O\n0.485451 0.326884 0.389144 O\n0.128140 0.134385 0.623615 O\n0.145897 0.794534 0.960582 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Si-Zn",
"density": 4.17710917185486,
"density_atomic": 0.0910528020489032,
"volume": 219.65276795389863,
"volume_molar": 6.613899434709973,
"formula_full": "Zn2 Si4 Ni2 O12",
"formula_reduced": "ZnSi2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1990271000000003,
"spacegroup": 15
},
{
"id": "jvasp-21313",
"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.106941650047569,
"density_atomic": 0.07354618182073425,
"volume": 271.9379783541879,
"volume_molar": 8.188243918193765,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1150660300000004,
"spacegroup": 15
},
{
"id": "jvasp-112860",
"created_at": "2022-09-04T14:38:44.967265Z",
"updated_at": "2022-09-04T14:38:44.967292Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n6.627786 0.093817 1.602487\n0.173352 6.626183 1.602487\n-0.187077 -0.184846 5.381717\nZn Si Sn O\n2 4 2 12\ndirect\n0.602398 0.397602 0.250001 Zn\n0.397602 0.602397 0.750001 Zn\n0.871317 0.690901 0.776314 Si\n0.309099 0.128683 0.723689 Si\n0.690901 0.871317 0.276313 Si\n0.128683 0.309099 0.223688 Si\n0.786358 0.213641 0.750001 Sn\n0.213641 0.786358 0.250001 Sn\n0.898943 0.390137 0.307905 O\n0.609863 0.101057 0.192097 O\n0.522078 0.699240 0.358545 O\n0.300759 0.477922 0.141456 O\n0.477922 0.300759 0.641457 O\n0.149893 0.187374 0.981352 O\n0.850107 0.812626 0.018651 O\n0.187374 0.149893 0.481351 O\n0.101057 0.609862 0.692097 O\n0.812626 0.850106 0.518651 O\n0.699241 0.522077 0.858546 O\n0.390137 0.898942 0.807905 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.650931134056854,
"density_atomic": 0.08328782241576219,
"volume": 240.13114306389897,
"volume_molar": 7.230517721952486,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1118670300000004,
"spacegroup": 15
},
{
"id": "jvasp-8080",
"created_at": "2022-09-04T14:36:52.237304Z",
"updated_at": "2022-09-04T14:36:52.237331Z",
"structure_string": "Zn2 Sn2 As4\n1.0\n5.415316 0.000000 -2.419481\n-1.080987 5.306327 -2.419481\n0.006986 0.008552 7.285693\nZn Sn As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Sn\n0.750001 0.250000 0.500000 Sn\n0.350690 0.375000 0.250000 As\n0.899311 0.875000 0.250000 As\n0.125000 0.649310 0.750000 As\n0.625001 0.100690 0.750000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"As"
],
"chemical_system": "As-Sn-Zn",
"density": 5.292039554246158,
"density_atomic": 0.03817127461032585,
"volume": 209.58168365265672,
"volume_molar": 15.776629995926124,
"formula_full": "Zn2 Sn2 As4",
"formula_reduced": "ZnSnAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8227214,
"spacegroup": 122
},
{
"id": "jvasp-9502",
"created_at": "2022-09-04T14:37:08.175188Z",
"updated_at": "2022-09-04T14:37:08.175217Z",
"structure_string": "Zn2 Sn2 F8\n1.0\n-5.084812 -0.011071 -0.025164\n-0.023848 -5.490643 -0.010583\n2.315529 2.012220 5.927319\nZn Sn F\n2 2 8\ndirect\n0.251792 0.249129 0.502167 Zn\n0.751801 0.749132 0.502166 Zn\n0.006654 0.511388 0.037151 Sn\n0.496950 0.986797 0.967185 Sn\n0.436514 0.709249 0.187371 F\n0.067065 0.789012 0.816961 F\n0.618010 0.089290 0.629979 F\n0.493164 0.601837 0.632347 F\n0.885628 0.409005 0.374348 F\n0.010424 0.896451 0.371973 F\n0.270963 0.222633 0.193517 F\n0.232693 0.275620 0.810845 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"F"
],
"chemical_system": "F-Sn-Zn",
"density": 5.2337089994245485,
"density_atomic": 0.07270266204247375,
"volume": 165.0558543920917,
"volume_molar": 8.283246570093672,
"formula_full": "Zn2 Sn2 F8",
"formula_reduced": "ZnSnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-11204",
"created_at": "2022-09-04T14:37:17.730492Z",
"updated_at": "2022-09-04T14:37:17.730519Z",
"structure_string": "Zn2 Sn2 O6\n1.0\n4.712815 -0.014612 3.119079\n1.668479 4.407609 3.119079\n-0.021226 -0.014612 5.651445\nZn Sn O\n2 2 6\ndirect\n0.366160 0.366161 0.366160 Zn\n0.633840 0.633841 0.633840 Zn\n0.149110 0.149110 0.149110 Sn\n0.850890 0.850891 0.850890 Sn\n0.050040 0.758562 0.446235 O\n0.758563 0.446235 0.050040 O\n0.446234 0.050041 0.758562 O\n0.949960 0.241439 0.553765 O\n0.553766 0.949960 0.241438 O\n0.241437 0.553766 0.949960 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.534952131285139,
"density_atomic": 0.08477269587962707,
"volume": 117.96251017190124,
"volume_molar": 7.103868406581211,
"formula_full": "Zn2 Sn2 O6",
"formula_reduced": "ZnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.96056652,
"spacegroup": 148
},
{
"id": "jvasp-11119",
"created_at": "2022-09-04T14:38:11.057966Z",
"updated_at": "2022-09-04T14:38:11.057991Z",
"structure_string": "Zn2 Sn2 O6\n1.0\n4.696533 -0.007380 3.109257\n1.666651 4.390872 3.109257\n-0.010713 -0.007380 5.632477\nZn Sn O\n2 2 6\ndirect\n0.282348 0.282348 0.282348 Zn\n0.782348 0.782347 0.782349 Zn\n0.002275 0.002275 0.002275 Sn\n0.502274 0.502274 0.502276 Sn\n0.606861 0.213447 0.893670 O\n0.213447 0.893668 0.606862 O\n0.893668 0.606860 0.213449 O\n0.393668 0.713447 0.106862 O\n0.106861 0.393668 0.713448 O\n0.713447 0.106861 0.393670 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.620539430085737,
"density_atomic": 0.08588295130409261,
"volume": 116.43754491612897,
"volume_molar": 7.012032852337511,
"formula_full": "Zn2 Sn2 O6",
"formula_reduced": "ZnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.95692252,
"spacegroup": 161
}
]
}