HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4034",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4032",
"results": [
{
"id": "jvasp-29019",
"created_at": "2022-09-04T14:38:29.062761Z",
"updated_at": "2022-09-04T14:38:29.062789Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.279410 0.000011 -0.000640\n-1.639696 2.840187 0.000514\n-0.006608 0.002374 33.257010\nTe Mo W S\n2 1 3 6\ndirect\n0.333517 0.666671 0.726932 Te\n0.333161 0.667004 0.610187 Te\n0.666820 0.333882 0.277534 Mo\n0.333393 0.666617 0.092316 W\n0.333212 0.666208 0.464467 W\n0.666669 0.333498 0.668645 W\n0.333512 0.666849 0.323811 S\n0.666447 0.333127 0.045872 S\n0.666385 0.332986 0.417981 S\n0.666838 0.333063 0.138784 S\n0.666738 0.332869 0.510947 S\n0.333299 0.667225 0.231269 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.870246956198206,
"density_atomic": 0.03873954995122107,
"volume": 309.76095527980596,
"volume_molar": 15.545200622058807,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.316879286111111,
"spacegroup": 156
},
{
"id": "jvasp-50832",
"created_at": "2022-09-04T14:36:50.209274Z",
"updated_at": "2022-09-04T14:36:50.209295Z",
"structure_string": "Pr6 Ga2 O12\n1.0\n4.668262 5.847620 0.000000\n-4.668262 5.847620 0.000000\n0.000000 0.000000 5.673739\nPr Ga O\n6 2 12\ndirect\n0.298949 0.913426 0.473456 Pr\n0.086574 0.701051 0.973456 Pr\n0.395589 0.395589 0.430390 Pr\n0.604411 0.604411 0.930390 Pr\n0.913426 0.298949 0.473456 Pr\n0.701051 0.086574 0.973456 Pr\n0.191562 0.191562 0.006977 Ga\n0.808438 0.808438 0.506977 Ga\n0.894010 0.586222 0.673983 O\n0.413778 0.105990 0.173983 O\n0.784612 0.784612 0.181808 O\n0.958286 0.958286 0.637237 O\n0.215388 0.215388 0.681808 O\n0.327799 0.646234 0.703755 O\n0.586222 0.894010 0.673983 O\n0.105990 0.413778 0.173983 O\n0.672201 0.353766 0.203755 O\n0.353766 0.672201 0.203755 O\n0.041714 0.041714 0.137237 O\n0.646234 0.327799 0.703755 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"O"
],
"chemical_system": "Ga-O-Pr",
"density": 6.308836899339274,
"density_atomic": 0.06456487003838612,
"volume": 309.76597626711373,
"volume_molar": 9.327271558696891,
"formula_full": "Pr6 Ga2 O12",
"formula_reduced": "Pr3GaO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.9661662875,
"spacegroup": 36
},
{
"id": "jvasp-109919",
"created_at": "2022-09-04T14:38:36.562026Z",
"updated_at": "2022-09-04T14:38:36.562044Z",
"structure_string": "Ac2 La6\n1.0\n7.625580 -0.000000 0.000000\n-3.812790 6.603946 0.000000\n-0.000000 -0.000000 6.151167\nAc La\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333334 0.250000 Ac\n0.164185 0.328371 0.250000 La\n0.671630 0.835815 0.250000 La\n0.164185 0.835815 0.250000 La\n0.835815 0.671630 0.750000 La\n0.328371 0.164185 0.750000 La\n0.835815 0.164185 0.750000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 6.901440699607298,
"density_atomic": 0.02582593620951237,
"volume": 309.76611787081663,
"volume_molar": 23.318189556210115,
"formula_full": "Ac2 La6",
"formula_reduced": "AcLa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.59020875,
"spacegroup": 194
},
{
"id": "jvasp-50593",
"created_at": "2022-09-04T14:36:16.298703Z",
"updated_at": "2022-09-04T14:36:16.298729Z",
"structure_string": "Ta4 Tl4 O12\n1.0\n-5.370457 5.370457 0.000000\n5.370457 0.000000 5.370457\n5.370457 5.370457 0.000000\nTa Tl O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.310422 0.250000 0.939579 O\n0.689579 0.750000 0.689579 O\n0.060422 0.750000 0.060422 O\n0.060422 0.120845 0.689579 O\n0.939579 0.879155 0.310422 O\n0.689579 0.379155 0.060422 O\n0.310422 0.250000 0.310422 O\n0.689579 0.750000 0.060422 O\n0.310422 0.620846 0.939579 O\n0.939579 0.250000 0.310422 O\n0.939579 0.250000 0.939579 O\n0.060422 0.750000 0.689579 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"O"
],
"chemical_system": "O-Ta-Tl",
"density": 9.291022197802402,
"density_atomic": 0.06456040841124873,
"volume": 309.78738350910567,
"volume_molar": 9.327916145819687,
"formula_full": "Ta4 Tl4 O12",
"formula_reduced": "TaTlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.34291646,
"spacegroup": 227
},
{
"id": "jvasp-52495",
"created_at": "2022-09-04T14:37:45.436049Z",
"updated_at": "2022-09-04T14:37:45.436066Z",
"structure_string": "K3 Na1 Fe1 Cl6\n1.0\n3.778288 3.895488 4.020192\n-0.497297 8.539965 -0.243831\n-0.497297 -0.512722 8.528046\nK Na Fe Cl\n3 1 1 6\ndirect\n-0.000001 0.500000 0.500001 K\n-0.000000 0.000000 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Fe\n0.090664 0.721669 0.721669 Cl\n0.465998 0.000000 0.721669 Cl\n0.465998 0.721668 0.000000 Cl\n0.534002 0.000000 0.278331 Cl\n0.534002 0.278331 -0.000000 Cl\n0.909335 0.278332 0.278331 Cl\n",
"nsites": 11,
"nelements": 4,
"elements": [
"K",
"Na",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-K-Na",
"density": 2.1915173410205253,
"density_atomic": 0.03550806227353547,
"volume": 309.7887999424405,
"volume_molar": 16.95992508295324,
"formula_full": "K3 Na1 Fe1 Cl6",
"formula_reduced": "K3NaFeCl6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.0060963636363631,
"spacegroup": 166
},
{
"id": "jvasp-24006",
"created_at": "2022-09-04T14:37:35.730767Z",
"updated_at": "2022-09-04T14:37:35.730798Z",
"structure_string": "Rb2 B12 H12\n1.0\n6.577479 -0.000000 3.797509\n2.192493 6.201307 3.797509\n0.000000 0.000000 7.595018\nRb B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.216717 0.783283 0.948196 B\n0.051804 0.783283 0.216717 B\n0.216716 0.948196 0.051804 B\n0.051804 0.216717 0.948196 B\n0.948196 0.051804 0.216717 B\n0.783283 0.216717 0.051804 B\n0.948196 0.783283 0.051804 B\n0.783282 0.948196 0.216717 B\n0.051803 0.948196 0.783283 B\n0.216717 0.051804 0.783283 B\n0.948196 0.216717 0.783283 B\n0.783283 0.051804 0.948196 B\n0.091270 0.629618 0.370383 H\n0.370382 0.908730 0.091271 H\n0.091270 0.370383 0.908730 H\n0.908730 0.091270 0.370383 H\n0.629617 0.370383 0.091271 H\n0.908729 0.629618 0.091271 H\n0.629617 0.908730 0.370383 H\n0.091270 0.908730 0.629618 H\n0.370383 0.091270 0.629617 H\n0.629617 0.091270 0.908730 H\n0.370382 0.629618 0.908730 H\n0.908730 0.370383 0.629618 H\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"B",
"H"
],
"chemical_system": "B-H-Rb",
"density": 1.6764584395104425,
"density_atomic": 0.08392702686369923,
"volume": 309.79293526297573,
"volume_molar": 7.175448702335413,
"formula_full": "Rb2 B12 H12",
"formula_reduced": "Rb(BH)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.8796242692307694,
"spacegroup": 202
},
{
"id": "jvasp-52145",
"created_at": "2022-09-04T14:37:19.109218Z",
"updated_at": "2022-09-04T14:37:19.109237Z",
"structure_string": "Ca2 Ce4 S8\n1.0\n7.383066 0.036764 -0.000000\n-2.426360 6.973075 0.000000\n-2.478352 -3.504920 6.007021\nCa Ce S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ca\n0.875001 0.124999 0.750000 Ca\n0.123209 0.750000 0.873208 Ce\n0.250000 0.623209 0.373208 Ce\n0.376792 0.250000 0.626791 Ce\n0.750000 0.876792 0.126792 Ce\n0.002440 0.856828 0.502617 S\n-0.000177 0.354211 0.497383 S\n0.143173 0.145790 0.145612 S\n0.356828 0.502440 0.002617 S\n0.645790 0.643173 0.645612 S\n0.497561 0.000177 0.854388 S\n0.500178 0.997561 0.354388 S\n0.854211 0.499823 0.997383 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"S"
],
"chemical_system": "Ca-Ce-S",
"density": 4.808805825552041,
"density_atomic": 0.04519141695898763,
"volume": 309.7933400208575,
"volume_molar": 13.325850715115322,
"formula_full": "Ca2 Ce4 S8",
"formula_reduced": "Ca(CeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5581416314285712,
"spacegroup": 122
},
{
"id": "jvasp-106447",
"created_at": "2022-09-04T14:36:56.797640Z",
"updated_at": "2022-09-04T14:36:56.797666Z",
"structure_string": "Rb2 Bi1 Au1 Cl6\n1.0\n6.577662 -0.000000 3.797615\n2.192554 6.201479 3.797615\n-0.000000 -0.000000 7.595230\nRb Bi Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.747575 0.252424 0.252424 Cl\n0.252424 0.252424 0.747576 Cl\n0.252424 0.747576 0.747575 Cl\n0.252424 0.747576 0.252424 Cl\n0.747575 0.252424 0.747575 Cl\n0.747575 0.747576 0.252424 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Bi",
"Au",
"Cl"
],
"chemical_system": "Au-Bi-Cl-Rb",
"density": 4.232030508772422,
"density_atomic": 0.03227693144335781,
"volume": 309.8187948116696,
"volume_molar": 18.657723924494324,
"formula_full": "Rb2 Bi1 Au1 Cl6",
"formula_reduced": "Rb2BiAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12938",
"created_at": "2022-09-04T14:37:12.297807Z",
"updated_at": "2022-09-04T14:37:12.297842Z",
"structure_string": "Na4 Mg2 Cl8\n1.0\n3.799316 0.000000 0.000000\n0.000000 6.870110 0.000000\n0.000000 -0.000000 11.870316\nNa Mg Cl\n4 2 8\ndirect\n0.500001 0.083375 0.679815 Na\n0.500001 0.916626 0.320186 Na\n0.500001 0.416625 0.179814 Na\n0.500001 0.583375 0.820186 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.121891 0.195912 Cl\n0.000000 0.878110 0.804088 Cl\n0.000000 0.621891 0.304088 Cl\n0.000000 0.378109 0.695912 Cl\n0.500001 0.238740 0.955618 Cl\n0.500001 0.761260 0.044382 Cl\n0.500001 0.738740 0.544383 Cl\n0.500001 0.261260 0.455618 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Na",
"density": 2.273428427138852,
"density_atomic": 0.04518524566968208,
"volume": 309.8356508304562,
"volume_molar": 13.327670726908702,
"formula_full": "Na4 Mg2 Cl8",
"formula_reduced": "Na2MgCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 55
},
{
"id": "jvasp-43046",
"created_at": "2022-09-04T14:36:56.565735Z",
"updated_at": "2022-09-04T14:36:56.565756Z",
"structure_string": "Li4 Cr4 Sn4 O16\n1.0\n6.052721 -0.000000 0.000000\n-0.000000 6.052721 0.000000\n-0.000000 0.000000 8.458378\nLi Cr Sn O\n4 4 4 16\ndirect\n0.000000 0.235150 0.000000 Li\n0.000000 0.764850 0.500000 Li\n0.235150 0.000000 0.250000 Li\n0.764850 0.000000 0.750000 Li\n0.243789 0.500000 0.250000 Cr\n0.500000 0.243789 0.000000 Cr\n0.500000 0.756211 0.500000 Cr\n0.756211 0.500000 0.750000 Cr\n0.748883 0.748883 0.125000 Sn\n0.748883 0.251117 0.375000 Sn\n0.251117 0.748883 0.875000 Sn\n0.251117 0.251117 0.625000 Sn\n0.737141 0.974407 0.498944 O\n0.737141 0.025593 0.001056 O\n0.736640 0.479350 0.984776 O\n0.736640 0.520650 0.515224 O\n0.520650 0.736640 0.734776 O\n0.520650 0.263360 0.765224 O\n0.479350 0.736640 0.265224 O\n0.025593 0.737141 0.248944 O\n0.263360 0.520650 0.484776 O\n0.263360 0.479350 0.015224 O\n0.262859 0.974407 0.501056 O\n0.262859 0.025593 0.998944 O\n0.974407 0.262859 0.748944 O\n0.025593 0.262859 0.251056 O\n0.479350 0.263360 0.234776 O\n0.974407 0.737141 0.751056 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Li-O-Sn",
"density": 5.179620752156476,
"density_atomic": 0.09035862853428178,
"volume": 309.8763278525956,
"volume_molar": 6.664710230429426,
"formula_full": "Li4 Cr4 Sn4 O16",
"formula_reduced": "LiCrSnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2544033000000008,
"spacegroup": 95
},
{
"id": "jvasp-21559",
"created_at": "2022-09-04T14:36:53.644680Z",
"updated_at": "2022-09-04T14:36:53.644691Z",
"structure_string": "Sr4 S4 O16\n1.0\n5.373796 -0.000000 0.000000\n-0.000000 6.892110 0.000000\n0.000000 0.000000 8.367036\nSr S O\n4 4 16\ndirect\n0.250000 0.342473 0.683268 Sr\n0.750001 0.657527 0.316732 Sr\n0.750001 0.842473 0.816733 Sr\n0.250000 0.157527 0.183268 Sr\n0.750001 0.316125 0.937330 S\n0.250000 0.683875 0.062671 S\n0.250000 0.816125 0.562671 S\n0.750001 0.183875 0.437329 S\n0.250000 0.958044 0.695602 O\n0.750001 0.041956 0.304398 O\n0.750001 0.410319 0.094521 O\n0.250000 0.589681 0.905479 O\n0.250000 0.910319 0.405479 O\n0.750001 0.089681 0.594521 O\n0.974937 0.310413 0.422279 O\n0.025064 0.689587 0.577721 O\n0.025064 0.810413 0.077721 O\n0.525064 0.189587 0.922280 O\n0.250000 0.541956 0.195602 O\n0.525064 0.310413 0.422279 O\n0.974937 0.189587 0.922280 O\n0.474936 0.810413 0.077721 O\n0.474936 0.689587 0.577721 O\n0.750001 0.458044 0.804399 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"S",
"O"
],
"chemical_system": "O-S-Sr",
"density": 3.937060543232387,
"density_atomic": 0.07744729042439841,
"volume": 309.88818160692193,
"volume_molar": 7.775792706238862,
"formula_full": "Sr4 S4 O16",
"formula_reduced": "SrSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6354233850000006,
"spacegroup": 62
},
{
"id": "jvasp-57844",
"created_at": "2022-09-04T14:37:19.523060Z",
"updated_at": "2022-09-04T14:37:19.523084Z",
"structure_string": "Tl4 H4 C4 O8\n1.0\n5.762444 0.000000 0.000000\n0.000000 6.708775 0.000000\n0.000000 0.000000 8.016214\nTl H C O\n4 4 4 8\ndirect\n0.496168 0.500069 0.009087 Tl\n0.996168 -0.000069 0.509086 Tl\n0.003832 0.000069 0.009087 Tl\n0.503831 0.499931 0.509086 Tl\n0.500161 0.912237 0.759255 H\n0.499838 0.087764 0.259255 H\n0.000162 0.587764 0.259255 H\n-0.000162 0.412236 0.759255 H\n0.499956 0.921752 0.259108 C\n0.500043 0.078249 0.759108 C\n-0.000044 0.578249 0.759108 C\n0.000044 0.421751 0.259108 C\n0.837328 0.333518 0.336185 O\n0.337329 0.166483 0.836185 O\n0.662670 0.833518 0.336185 O\n0.162671 0.666483 0.836185 O\n0.162656 0.333573 0.181865 O\n0.337343 0.833573 0.181865 O\n0.837343 0.666428 0.681865 O\n0.662656 0.166427 0.681865 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Tl",
"density": 5.34549071346449,
"density_atomic": 0.06453729351180076,
"volume": 309.8983380259503,
"volume_molar": 9.331257064411666,
"formula_full": "Tl4 H4 C4 O8",
"formula_reduced": "TlHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.53711792,
"spacegroup": 52
}
]
}