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=1571",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1569",
"results": [
{
"id": "jvasp-91707",
"created_at": "2022-09-04T14:35:42.614990Z",
"updated_at": "2022-09-04T14:35:42.615014Z",
"structure_string": "Ho2 Zn2 Sn4\n1.0\n4.357723 0.000000 0.000000\n-0.000000 4.357723 0.000000\n0.000000 -0.000000 9.789244\nHo Zn Sn\n2 2 4\ndirect\n0.749999 0.749999 0.748597 Ho\n0.250000 0.250000 0.251403 Ho\n0.749999 0.250000 0.500000 Zn\n0.250000 0.749999 0.500000 Zn\n0.749999 0.250000 0.000000 Sn\n0.250000 0.749999 0.000000 Sn\n0.749999 0.749999 0.313656 Sn\n0.250000 0.250000 0.686343 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ho",
"Zn",
"Sn"
],
"chemical_system": "Ho-Sn-Zn",
"density": 8.356667981820546,
"density_atomic": 0.043034978662530726,
"volume": 185.8952937500899,
"volume_molar": 13.99359531980737,
"formula_full": "Ho2 Zn2 Sn4",
"formula_reduced": "HoZnSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0521948416666666,
"spacegroup": 129
},
{
"id": "jvasp-20774",
"created_at": "2022-09-04T14:38:35.376294Z",
"updated_at": "2022-09-04T14:38:35.376319Z",
"structure_string": "As2 Pd10\n1.0\n4.788577 0.019938 -0.424800\n-1.593070 4.515860 -0.424800\n0.025528 0.036236 8.577043\nAs Pd\n2 10\ndirect\n0.251077 0.205411 0.712342 As\n0.794590 0.748925 0.287657 As\n0.226939 0.702662 0.826520 Pd\n0.297339 0.773062 0.173480 Pd\n0.748328 0.181273 0.826520 Pd\n0.818729 0.251674 0.173480 Pd\n0.670114 0.624447 0.647424 Pd\n0.375554 0.329887 0.352576 Pd\n0.765857 0.720190 0.991874 Pd\n0.279811 0.234145 0.008126 Pd\n0.837365 0.162637 0.500000 Pd\n0.208303 0.791698 0.500000 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 10.844704828592741,
"density_atomic": 0.06455289795388466,
"volume": 185.8940555786135,
"volume_molar": 9.329001409513948,
"formula_full": "As2 Pd10",
"formula_reduced": "AsPd5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.928768375,
"spacegroup": 12
},
{
"id": "jvasp-109580",
"created_at": "2022-09-04T14:38:17.571770Z",
"updated_at": "2022-09-04T14:38:17.571798Z",
"structure_string": "Nd4 Mg2\n1.0\n7.025116 0.126972 1.822195\n5.984420 3.681724 1.822195\n0.033451 0.009793 7.413439\nNd Mg\n4 2\ndirect\n0.841564 0.841559 0.579108 Nd\n0.158439 0.158438 0.420893 Nd\n0.841450 0.841447 0.079245 Nd\n0.158553 0.158551 0.920756 Nd\n0.499983 0.499980 0.750173 Mg\n0.500020 0.500018 0.249829 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd",
"density": 5.588630307695095,
"density_atomic": 0.03227944561366219,
"volume": 185.8767982514705,
"volume_molar": 18.656270718141286,
"formula_full": "Nd4 Mg2",
"formula_reduced": "Nd2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8076841666666668,
"spacegroup": 139
},
{
"id": "jvasp-23770",
"created_at": "2022-09-04T14:37:41.258125Z",
"updated_at": "2022-09-04T14:37:41.258147Z",
"structure_string": "Zr4 V4 P4\n1.0\n3.527041 0.000000 0.000000\n0.000000 6.640679 0.000000\n0.000000 0.000000 7.935538\nZr V P\n4 4 4\ndirect\n0.250000 0.540922 0.669175 Zr\n0.750000 0.459078 0.330825 Zr\n0.250000 0.040922 0.830826 Zr\n0.750000 0.959078 0.169175 Zr\n0.750000 0.872294 0.556904 V\n0.250000 0.127706 0.443098 V\n0.750000 0.372294 0.943097 V\n0.250000 0.627706 0.056903 V\n0.250000 0.260129 0.136927 P\n0.750000 0.739871 0.863073 P\n0.250000 0.760129 0.363073 P\n0.750000 0.239871 0.636927 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"V",
"P"
],
"chemical_system": "P-V-Zr",
"density": 6.187358490212863,
"density_atomic": 0.06456272830859056,
"volume": 185.86575125269775,
"volume_molar": 9.327580970890768,
"formula_full": "Zr4 V4 P4",
"formula_reduced": "ZrVP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0776314,
"spacegroup": 62
},
{
"id": "jvasp-12237",
"created_at": "2022-09-04T14:38:09.966544Z",
"updated_at": "2022-09-04T14:38:09.966571Z",
"structure_string": "Sr3 V2 O8\n1.0\n5.231520 0.006570 5.366772\n2.187252 4.752344 5.366772\n0.010243 0.006570 7.494727\nSr V O\n3 2 8\ndirect\n0.798099 0.798099 0.798101 Sr\n0.201900 0.201900 0.201901 Sr\n0.000000 0.000000 0.000000 Sr\n0.593880 0.593880 0.593881 V\n0.406119 0.406119 0.406120 V\n0.731864 0.230991 0.731865 O\n0.230991 0.731864 0.731865 O\n0.731864 0.731864 0.230992 O\n0.268135 0.769008 0.268136 O\n0.769008 0.268135 0.268136 O\n0.321457 0.321456 0.321457 O\n0.678543 0.678543 0.678544 O\n0.268135 0.268135 0.769009 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sr",
"V",
"O"
],
"chemical_system": "O-Sr-V",
"density": 4.402348568552983,
"density_atomic": 0.06994592989267755,
"volume": 185.85784791118968,
"volume_molar": 8.609708626706587,
"formula_full": "Sr3 V2 O8",
"formula_reduced": "Sr3V2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.248311948461539,
"spacegroup": 166
},
{
"id": "jvasp-92937",
"created_at": "2022-09-04T14:35:50.653431Z",
"updated_at": "2022-09-04T14:35:50.653454Z",
"structure_string": "Mg6 Ga1 Bi1\n1.0\n6.393597 -0.130471 0.000000\n-3.309789 5.732722 0.000000\n0.000000 0.000000 5.130765\nMg Ga Bi\n6 1 1\ndirect\n0.672127 0.334045 0.250000 Mg\n0.672127 0.838081 0.250000 Mg\n0.333585 0.183885 0.750001 Mg\n0.333585 0.649699 0.750001 Mg\n0.833720 0.166861 0.750001 Mg\n0.823826 0.661914 0.750001 Mg\n0.161907 0.330953 0.250000 Ga\n0.169125 0.834562 0.250000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Mg",
"density": 3.7933228578288705,
"density_atomic": 0.04304758910533833,
"volume": 185.84083722839475,
"volume_molar": 13.989496009320517,
"formula_full": "Mg6 Ga1 Bi1",
"formula_reduced": "Mg6GaBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0002975,
"spacegroup": 38
},
{
"id": "jvasp-50336",
"created_at": "2022-09-04T14:36:06.724408Z",
"updated_at": "2022-09-04T14:36:06.724428Z",
"structure_string": "Hf6 N8\n1.0\n-4.529355 4.529355 0.000000\n4.529355 -0.000000 4.529355\n4.529355 4.529355 -0.000000\nHf N\n6 8\ndirect\n0.500001 0.000000 0.000000 Hf\n0.500001 0.000000 0.500001 Hf\n0.125000 0.250000 0.125000 Hf\n0.500001 0.500001 0.500001 Hf\n0.875001 0.750001 0.875001 Hf\n0.000000 0.500001 0.500001 Hf\n0.742226 0.484451 0.273326 N\n0.742226 0.015550 0.742226 N\n0.273326 0.015550 0.742226 N\n0.742226 0.484451 0.742226 N\n0.257775 0.515550 0.257775 N\n0.726675 0.984451 0.257775 N\n0.257775 0.515550 0.726675 N\n0.257775 0.984451 0.257775 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 10.570424144141757,
"density_atomic": 0.0753336408204504,
"volume": 185.8399494240228,
"volume_molar": 7.993959530448187,
"formula_full": "Hf6 N8",
"formula_reduced": "Hf3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.778746,
"spacegroup": 227
},
{
"id": "jvasp-42557",
"created_at": "2022-09-04T14:35:58.782076Z",
"updated_at": "2022-09-04T14:35:58.782095Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.416772 -0.023044 -0.017419\n1.748756 5.129086 -0.025387\n2.280101 1.594918 6.665377\nMn O F\n6 8 4\ndirect\n0.306731 0.317773 0.161076 Mn\n0.658239 0.668097 0.327894 Mn\n0.344555 0.357844 0.689431 Mn\n0.671517 0.687843 0.827220 Mn\n0.998387 0.010624 0.503881 Mn\n0.021082 0.963862 0.998810 Mn\n0.314063 0.672009 -0.003398 O\n0.964187 0.362757 0.330394 O\n0.641237 0.046675 0.671316 O\n0.575114 0.579731 0.621946 O\n0.773618 0.761075 0.037767 O\n0.033759 0.654800 0.670338 O\n0.350594 0.969882 0.330204 O\n0.222510 0.210182 0.973114 O\n0.886516 0.904693 0.315598 F\n0.111685 0.127339 0.684767 F\n0.423607 0.422732 0.360707 F\n0.702593 0.282102 -0.001066 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.768315289036447,
"density_atomic": 0.09686316317347446,
"volume": 185.82915744516197,
"volume_molar": 6.217163019149819,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6777406987931034,
"spacegroup": 1
},
{
"id": "jvasp-92658",
"created_at": "2022-09-04T14:36:08.397025Z",
"updated_at": "2022-09-04T14:36:08.397042Z",
"structure_string": "Ce3 In1 C1\n1.0\n5.706514 0.000000 0.000000\n0.000000 5.706514 0.000000\n0.000000 -0.000000 5.706514\nCe In C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"In",
"C"
],
"chemical_system": "C-Ce-In",
"density": 4.889495290125395,
"density_atomic": 0.02690650834791376,
"volume": 185.82864544695497,
"volume_molar": 22.381725202433923,
"formula_full": "Ce3 In1 C1",
"formula_reduced": "Ce3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.946363294,
"spacegroup": 221
},
{
"id": "jvasp-48097",
"created_at": "2022-09-04T14:37:51.328703Z",
"updated_at": "2022-09-04T14:37:51.328732Z",
"structure_string": "V6 O10 F2\n1.0\n0.000000 4.626452 -0.001509\n2.891461 0.000000 0.000000\n0.000000 -0.004467 -13.890878\nV O F\n6 10 2\ndirect\n0.034292 0.000000 0.000530 V\n0.958532 0.000000 0.342897 V\n0.964158 0.000000 0.658886 V\n0.535840 0.500000 0.158885 V\n0.465708 0.500000 0.500530 V\n0.541465 0.500000 0.842898 V\n0.179819 0.500000 0.398448 O\n0.225636 0.500000 0.067624 O\n0.320181 0.000000 0.898449 O\n0.274362 0.000000 0.567624 O\n0.677212 0.000000 0.433965 O\n0.822788 0.500000 0.933965 O\n0.724519 0.000000 0.098747 O\n0.775479 0.500000 0.598748 O\n0.795357 0.500000 0.266314 O\n0.704642 0.000000 0.766315 O\n0.302195 0.000000 0.232587 F\n0.197805 0.500000 0.732588 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.500637180161369,
"density_atomic": 0.09686733751468164,
"volume": 185.82114943823908,
"volume_molar": 6.216895100567058,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9902167091666665,
"spacegroup": 31
},
{
"id": "jvasp-32151",
"created_at": "2022-09-04T14:36:54.488790Z",
"updated_at": "2022-09-04T14:36:54.488804Z",
"structure_string": "H6 Pb1 C1 N1 Cl3\n1.0\n5.701466 -0.000060 0.120984\n-0.000061 5.644089 0.000134\n0.122329 0.000141 5.777092\nH Pb C N Cl\n6 1 1 1 3\ndirect\n0.939945 0.999930 0.758004 H\n0.803881 0.159767 0.996698 H\n0.803836 0.840168 0.996738 H\n0.229496 0.149687 0.020615 H\n0.229468 0.850160 0.020632 H\n0.107129 0.999935 0.243173 H\n0.482203 0.499944 0.492384 Pb\n0.902360 0.999952 0.945536 C\n0.129992 0.999932 0.064428 N\n0.434075 0.499938 0.986918 Cl\n0.440091 0.999946 0.529317 Cl\n0.975511 0.499941 0.441336 Cl\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-Pb",
"density": 3.088577816701079,
"density_atomic": 0.06457832169364755,
"volume": 185.82087123488094,
"volume_molar": 9.3253286893524,
"formula_full": "H6 Pb1 C1 N1 Cl3",
"formula_reduced": "H6PbCNCl3",
"formula_anonymous": "ABCD3E6",
"energy_above_hull": 2.7128505227083326,
"spacegroup": 6
},
{
"id": "jvasp-11413",
"created_at": "2022-09-04T14:36:42.577782Z",
"updated_at": "2022-09-04T14:36:42.577811Z",
"structure_string": "P8 Rh4\n1.0\n0.000000 5.813192 0.001639\n5.856811 0.000000 0.000000\n0.000000 -2.253577 -5.458296\nP Rh\n8 4\ndirect\n0.840001 0.120487 0.133559 P\n0.159998 0.620487 0.366441 P\n0.159998 0.879512 0.866441 P\n0.840001 0.379512 0.633560 P\n0.665800 0.622940 0.813253 P\n0.334199 0.122940 0.686748 P\n0.334199 0.377059 0.186748 P\n0.665800 0.877059 0.313252 P\n0.728188 0.501385 0.210767 Rh\n0.271812 0.001385 0.289233 Rh\n0.271812 0.498615 0.789233 Rh\n0.728187 0.998615 0.710768 Rh\n",
"nsites": 12,
"nelements": 2,
"elements": [
"P",
"Rh"
],
"chemical_system": "P-Rh",
"density": 5.892825822049836,
"density_atomic": 0.06458011941620893,
"volume": 185.81569852266526,
"volume_molar": 9.325069099343452,
"formula_full": "P8 Rh4",
"formula_reduced": "P2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 2.399354666666667,
"spacegroup": 14
}
]
}