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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1580",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1578",
"results": [
{
"id": "jvasp-86896",
"created_at": "2022-09-04T14:36:15.564200Z",
"updated_at": "2022-09-04T14:36:15.564231Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.218038 0.117048 11.095358\n2.133617 3.640499 11.095358\n0.197855 0.117048 11.868432\nCa Si Br\n3 1 2\ndirect\n0.451224 0.451224 0.451222 Ca\n0.571103 0.571103 0.571101 Ca\n0.000854 0.000854 0.000854 Ca\n0.285853 0.285853 0.285852 Si\n0.841986 0.841986 0.841982 Br\n0.727984 0.727984 0.727981 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.0303774518766153,
"density_atomic": 0.035535989960203546,
"volume": 168.842911277253,
"volume_molar": 16.946596300663483,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1136446783333333,
"spacegroup": 160
},
{
"id": "jvasp-56984",
"created_at": "2022-09-04T14:36:43.119963Z",
"updated_at": "2022-09-04T14:36:43.119989Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.144702 -0.000029 -1.261663\n-0.727299 5.340844 -2.389039\n0.051033 0.154940 7.605963\nCa Si Br\n3 1 2\ndirect\n0.358314 0.358313 0.716613 Ca\n0.000000 0.000000 0.000000 Ca\n0.641685 0.641686 0.283386 Ca\n-0.000000 0.500000 -0.000000 Si\n0.320171 0.820139 0.640279 Br\n0.679827 0.179861 0.359721 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.00291087671228,
"density_atomic": 0.03521390073046862,
"volume": 170.38725831383215,
"volume_molar": 17.101600887939625,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0822380116666666,
"spacegroup": 71
},
{
"id": "jvasp-86881",
"created_at": "2022-09-04T14:35:49.553065Z",
"updated_at": "2022-09-04T14:35:49.553101Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.363838 0.064290 10.666128\n2.149699 3.798158 10.666128\n0.108418 0.064290 11.523784\nCa Si Br\n3 1 2\ndirect\n0.124154 0.124154 0.124154 Ca\n0.000000 0.000000 0.000000 Ca\n0.875847 0.875846 0.875845 Ca\n0.500000 0.500000 0.499999 Si\n0.714702 0.714702 0.714701 Br\n0.285298 0.285298 0.285298 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.7872210837936993,
"density_atomic": 0.03268459524381166,
"volume": 183.57271843946148,
"volume_molar": 18.42501250230474,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1154113449999999,
"spacegroup": 166
},
{
"id": "jvasp-14052",
"created_at": "2022-09-04T14:37:49.230023Z",
"updated_at": "2022-09-04T14:37:49.230047Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.126462 0.000000 -0.937391\n-0.212943 4.120963 -0.937391\n0.063891 0.067278 9.832439\nCa Si Br\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.648079 0.648078 0.296157 Ca\n0.351921 0.351922 0.703843 Ca\n0.500000 0.500000 0.000000 Si\n0.815701 0.815701 0.631402 Br\n0.184299 0.184299 0.368598 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.0506467639004335,
"density_atomic": 0.03577367984538024,
"volume": 167.72107387143262,
"volume_molar": 16.833998587868756,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0996530116666666,
"spacegroup": 139
},
{
"id": "jvasp-56358",
"created_at": "2022-09-04T14:37:40.972792Z",
"updated_at": "2022-09-04T14:37:40.972812Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.231390 -3.864881 -0.000000\n2.231390 3.864881 -0.000000\n0.000000 0.000000 10.407681\nCa Si Br\n3 1 2\ndirect\n0.333333 0.666667 0.129890 Ca\n0.666667 0.333333 0.870110 Ca\n0.000000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.644080 Br\n0.666667 0.333333 0.355919 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.8502567359547415,
"density_atomic": 0.03342378840964732,
"volume": 179.51286450425775,
"volume_molar": 18.017528971257466,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1118830116666666,
"spacegroup": 164
},
{
"id": "jvasp-13799",
"created_at": "2022-09-04T14:36:42.542762Z",
"updated_at": "2022-09-04T14:36:42.542783Z",
"structure_string": "Ca2 Th2 Br12\n1.0\n4.220677 0.000000 0.000000\n0.000000 9.111813 0.000000\n0.000000 0.000000 12.162426\nCa Th Br\n2 2 12\ndirect\n0.500000 0.750000 0.732994 Ca\n0.500000 0.250000 0.267006 Ca\n0.000000 0.750000 0.256078 Th\n0.000000 0.250000 0.743923 Th\n0.000000 0.750000 0.566780 Br\n0.500000 0.566719 0.363319 Br\n0.500000 0.750000 0.086202 Br\n0.500000 0.250000 0.913798 Br\n0.000000 0.556464 0.848047 Br\n0.000000 0.250000 0.433221 Br\n0.000000 0.443536 0.151953 Br\n0.500000 0.066719 0.636681 Br\n0.000000 0.056464 0.151953 Br\n0.000000 0.943535 0.848047 Br\n0.500000 0.933281 0.363319 Br\n0.500000 0.433281 0.636681 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Th",
"Br"
],
"chemical_system": "Br-Ca-Th",
"density": 5.3361017399258746,
"density_atomic": 0.03420683208676287,
"volume": 467.7428169734424,
"volume_molar": 17.605081770581172,
"formula_full": "Ca2 Th2 Br12",
"formula_reduced": "CaThBr6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.11672508125,
"spacegroup": 51
},
{
"id": "jvasp-103642",
"created_at": "2022-09-04T14:36:50.192330Z",
"updated_at": "2022-09-04T14:36:50.192345Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n7.314471 0.040535 0.000000\n-6.101615 4.034034 0.000000\n-0.000000 -0.000000 10.886444\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256103 0.743895 0.250000 Tl\n0.743895 0.256103 0.750000 Tl\n0.636574 0.363424 0.049260 Br\n0.363424 0.636574 0.950739 Br\n0.363424 0.636574 0.549260 Br\n0.636574 0.363424 0.450740 Br\n0.935046 0.064951 0.250000 Br\n0.064952 0.935046 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Br"
],
"chemical_system": "Br-Ca-Tl",
"density": 4.964165876557798,
"density_atomic": 0.030872113017127223,
"volume": 323.91692769627406,
"volume_molar": 19.506733331337045,
"formula_full": "Ca2 Tl2 Br6",
"formula_reduced": "CaTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-29441",
"created_at": "2022-09-04T14:37:58.790441Z",
"updated_at": "2022-09-04T14:37:58.790458Z",
"structure_string": "Cd1 Hg4 C6 S6 Br4 N6\n1.0\n6.041147 0.000000 1.723344\n3.020574 8.907436 0.861672\n-0.190088 0.000000 12.116587\nCd Hg C S Br N\n1 4 6 6 4 6\ndirect\n0.035630 -0.000000 -0.000000 Cd\n0.474105 0.685701 0.378656 Hg\n0.852760 0.685701 0.621344 Hg\n0.159805 0.314300 0.378656 Hg\n0.538461 0.314300 0.621344 Hg\n0.933429 0.736423 0.854755 C\n0.788183 0.736423 0.145244 C\n0.524608 0.263577 0.145245 C\n0.259626 -0.000000 0.228591 C\n0.488217 -0.000000 0.771409 C\n0.669852 0.263577 0.854755 C\n0.257747 0.385668 0.175348 S\n0.658757 -0.000000 0.642852 S\n0.301609 -0.000000 0.357148 S\n0.433096 0.385668 0.824652 S\n0.643414 0.614333 0.175348 S\n0.818763 0.614333 0.824652 S\n0.061211 0.307597 0.599449 Br\n0.368809 0.692403 0.599448 Br\n0.660660 0.307597 0.400551 Br\n0.968257 0.692403 0.400551 Br\n0.232623 -0.000000 0.136316 N\n0.015838 0.820210 0.879082 N\n0.836047 0.179791 0.879082 N\n0.715130 0.179791 0.120917 N\n0.368939 -0.000000 0.863684 N\n0.894920 0.820210 0.120917 N\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Cd",
"Hg",
"C",
"S",
"Br",
"N"
],
"chemical_system": "Br-C-Cd-Hg-N-S",
"density": 4.013338309655217,
"density_atomic": 0.041226081885737224,
"volume": 654.9252018378455,
"volume_molar": 14.60759908421821,
"formula_full": "Cd1 Hg4 C6 S6 Br4 N6",
"formula_reduced": "CdHg4C6S6(Br2N3)2",
"formula_anonymous": "AB4C4D6E6F6",
"energy_above_hull": 3.304246817407408,
"spacegroup": 42
},
{
"id": "jvasp-85306",
"created_at": "2022-09-04T14:36:11.321353Z",
"updated_at": "2022-09-04T14:36:11.321362Z",
"structure_string": "Ce4 C2 Br5\n1.0\n3.765906 0.000038 -0.761294\n-0.671613 7.437672 -3.322994\n0.059368 -0.026766 9.988168\nCe C Br\n4 2 5\ndirect\n0.331747 0.331676 0.663454 Ce\n0.668255 0.668323 0.336547 Ce\n1.000003 0.299001 -0.000008 Ce\n-0.000001 0.700999 1.000009 Ce\n0.539629 0.539644 0.079265 C\n0.460373 0.460355 0.920736 C\n0.835174 0.619349 0.670355 Br\n0.500001 0.000000 0.000000 Br\n0.835193 0.050863 0.670323 Br\n0.164809 0.949137 0.329678 Br\n0.164828 0.380651 0.329646 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"C",
"Br"
],
"chemical_system": "Br-C-Ce",
"density": 5.840812079741399,
"density_atomic": 0.03932052787512462,
"volume": 279.7520937392842,
"volume_molar": 15.315513512751673,
"formula_full": "Ce4 C2 Br5",
"formula_reduced": "Ce4C2Br5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 2.112873865909091,
"spacegroup": 71
},
{
"id": "jvasp-111516",
"created_at": "2022-09-04T14:38:41.592279Z",
"updated_at": "2022-09-04T14:38:41.592303Z",
"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"Br",
"Cl"
],
"chemical_system": "Br-C-Cl-H",
"density": 2.519906950494824,
"density_atomic": 0.058644359520838796,
"volume": 341.03876593439753,
"volume_molar": 10.268917265368174,
"formula_full": "H8 C4 Br4 Cl4",
"formula_reduced": "H2CBrCl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.3576376345000005,
"spacegroup": 15
},
{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.138559060793724,
"density_atomic": 0.03410319556500521,
"volume": 175.9365918822242,
"volume_molar": 17.658582019157127,
"formula_full": "Cd2 Br4",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-22646",
"created_at": "2022-09-04T14:38:07.941510Z",
"updated_at": "2022-09-04T14:38:07.941539Z",
"structure_string": "Cd1 Br2\n1.0\n3.828856 -0.007179 5.501979\n1.720762 3.420406 5.501979\n-0.011673 -0.007179 6.703116\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750337 0.750337 0.750336 Br\n0.249664 0.249664 0.249663 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.126696865816678,
"density_atomic": 0.03402446945709318,
"volume": 88.17183773528558,
"volume_molar": 17.699440596992314,
"formula_full": "Cd1 Br2",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 166
}
]
}