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=density_atomic&page=1121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1119",
"results": [
{
"id": "jvasp-40206",
"created_at": "2022-09-04T14:38:36.063902Z",
"updated_at": "2022-09-04T14:38:36.063926Z",
"structure_string": "Ca3 Sn2 S7\n1.0\n3.528182 -3.528182 0.000000\n3.528182 3.528182 -0.000000\n-3.528182 -0.000000 11.688805\nCa Sn S\n3 2 7\ndirect\n0.500000 0.500000 0.000000 Ca\n0.329717 0.329717 0.659434 Ca\n0.670283 0.670283 0.340566 Ca\n0.112298 0.112298 0.224596 Sn\n0.887702 0.887702 0.775404 Sn\n0.000000 0.000000 0.000000 S\n0.590505 0.090505 0.181012 S\n0.090505 0.590505 0.181012 S\n0.409495 0.909495 0.818989 S\n0.909495 0.409495 0.818989 S\n0.214722 0.214722 0.429443 S\n0.785278 0.785278 0.570557 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.3216306734932988,
"density_atomic": 0.04123625123560633,
"volume": 291.0060842203411,
"volume_molar": 14.603996676594242,
"formula_full": "Ca3 Sn2 S7",
"formula_reduced": "Ca3Sn2S7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.2135387216666669,
"spacegroup": 139
},
{
"id": "jvasp-16559",
"created_at": "2022-09-04T14:38:17.702948Z",
"updated_at": "2022-09-04T14:38:17.702975Z",
"structure_string": "Tm1 Hg1\n1.0\n3.646811 0.000000 -0.000000\n-0.000000 3.646811 -0.000000\n-0.000000 0.000000 3.646811\nTm Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Hg"
],
"chemical_system": "Hg-Tm",
"density": 12.651797330995329,
"density_atomic": 0.0412373004846292,
"volume": 48.49977996851371,
"volume_molar": 14.603625089970897,
"formula_full": "Tm1 Hg1",
"formula_reduced": "TmHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3385580833333333,
"spacegroup": 221
},
{
"id": "jvasp-92905",
"created_at": "2022-09-04T14:35:58.194192Z",
"updated_at": "2022-09-04T14:35:58.194213Z",
"structure_string": "Ba1 Mg6 C1\n1.0\n8.006859 0.052840 0.000000\n-3.957669 6.960563 0.000000\n0.000000 0.000000 3.467865\nBa Mg C\n1 6 1\ndirect\n0.152314 0.347686 0.250000 Ba\n0.202273 0.956170 0.250000 Mg\n0.543830 0.297726 0.250000 Mg\n0.713584 0.786416 0.250000 Mg\n0.367523 0.790436 0.750001 Mg\n0.709563 0.132477 0.750001 Mg\n0.912791 0.587208 0.750001 Mg\n0.398121 0.101879 0.750001 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"C"
],
"chemical_system": "Ba-C-Mg",
"density": 2.526519474810737,
"density_atomic": 0.04123772598546394,
"volume": 193.99711814419527,
"volume_molar": 14.603474406233675,
"formula_full": "Ba1 Mg6 C1",
"formula_reduced": "BaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1259887837499999,
"spacegroup": 38
},
{
"id": "jvasp-35501",
"created_at": "2022-09-04T14:37:31.672943Z",
"updated_at": "2022-09-04T14:37:31.672964Z",
"structure_string": "Ti2 Cr1 Te4\n1.0\n0.000000 3.853992 0.000000\n0.023384 0.000000 6.869829\n6.399951 -1.926996 -3.318104\nTi Cr Te\n2 1 4\ndirect\n0.251899 0.291197 0.503800 Ti\n0.748099 0.708804 0.496199 Ti\n0.000000 0.000000 0.000000 Cr\n0.109557 0.449789 0.219115 Te\n0.890441 0.550211 0.780884 Te\n0.367574 0.033917 0.735151 Te\n0.632424 0.966083 0.264848 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-Ti",
"density": 6.438159261882523,
"density_atomic": 0.04123812438699736,
"volume": 169.74583844572584,
"volume_molar": 14.60333332206258,
"formula_full": "Ti2 Cr1 Te4",
"formula_reduced": "Ti2CrTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.545987876190477,
"spacegroup": 12
},
{
"id": "jvasp-40196",
"created_at": "2022-09-04T14:38:09.770786Z",
"updated_at": "2022-09-04T14:38:09.770803Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-5.981651 0.000000 3.075471\n-3.781454 5.562311 -0.000000\n-5.956928 0.016808 -4.231200\nCa Sn S\n2 2 6\ndirect\n0.642588 0.642588 0.072236 Ca\n0.357412 0.357412 0.927764 Ca\n0.843444 0.843445 0.469665 Sn\n0.156555 0.156555 0.530335 Sn\n0.039289 0.438789 0.739158 S\n0.438789 0.782763 0.739158 S\n0.782762 0.039289 0.739158 S\n0.960710 0.561211 0.260842 S\n0.561211 0.217237 0.260842 S\n0.217237 0.960711 0.260842 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.492211799101141,
"density_atomic": 0.04123920227071537,
"volume": 242.4877167689823,
"volume_molar": 14.602951629538238,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.978532424,
"spacegroup": 148
},
{
"id": "jvasp-118731",
"created_at": "2022-09-04T14:38:51.390539Z",
"updated_at": "2022-09-04T14:38:51.390564Z",
"structure_string": "Mg1 Ta1 Sn1\n1.0\n2.931162 -0.000000 0.000000\n-0.000000 2.931162 -0.000000\n0.000000 -0.000000 8.467002\nMg Ta Sn\n1 1 1\ndirect\n0.000000 0.000000 0.347190 Mg\n0.000000 0.000000 0.679208 Ta\n0.000000 0.000000 0.008678 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Ta",
"Sn"
],
"chemical_system": "Mg-Sn-Ta",
"density": 7.39494660815819,
"density_atomic": 0.04123936304283038,
"volume": 72.7460314283773,
"volume_molar": 14.602894699769065,
"formula_full": "Mg1 Ta1 Sn1",
"formula_reduced": "MgTaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1021833166666664,
"spacegroup": 99
},
{
"id": "jvasp-91621",
"created_at": "2022-09-04T14:35:54.278002Z",
"updated_at": "2022-09-04T14:35:54.278027Z",
"structure_string": "Sr2 Cd4 Pd2\n1.0\n4.469896 -0.000000 -0.000000\n-2.234948 5.331229 0.000000\n-0.000000 0.000000 8.140413\nSr Cd Pd\n2 4 2\ndirect\n0.065965 0.131930 0.250000 Sr\n0.934035 0.868070 0.750000 Sr\n0.355629 0.711257 0.445229 Cd\n0.644372 0.288743 0.554770 Cd\n0.355629 0.711257 0.054771 Cd\n0.644372 0.288743 0.945229 Cd\n0.779052 0.558104 0.250000 Pd\n0.220948 0.441896 0.750000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Sr",
"density": 7.170985752071446,
"density_atomic": 0.04124001279834639,
"volume": 193.98636074916004,
"volume_molar": 14.60266462439476,
"formula_full": "Sr2 Cd4 Pd2",
"formula_reduced": "SrCd2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-88690",
"created_at": "2022-09-04T14:35:52.811404Z",
"updated_at": "2022-09-04T14:35:52.811429Z",
"structure_string": "Sb4 Cl12 F8\n1.0\n6.528304 -0.000000 2.624140\n3.264153 9.094344 1.312071\n-0.127680 0.000000 9.750231\nSb Cl F\n4 12 8\ndirect\n0.212368 0.820961 0.726824 Sb\n0.939192 0.273176 0.820961 Sb\n0.760153 0.179039 0.273176 Sb\n0.033331 0.726824 0.179039 Sb\n0.675317 0.100043 0.515622 Cl\n0.503089 0.846122 0.769137 Cl\n0.118348 0.153878 0.230863 Cl\n0.272226 0.230863 0.846122 Cl\n0.775359 0.515622 0.899957 Cl\n0.190940 0.484378 0.100043 Cl\n0.346825 0.567216 0.695113 Cl\n0.914041 0.695113 0.432784 Cl\n0.349211 0.769136 0.153878 Cl\n0.609155 0.432783 0.304887 Cl\n0.041939 0.304887 0.567216 Cl\n0.290981 0.899957 0.484378 Cl\n0.673574 0.250258 0.836759 F\n0.886492 0.956880 0.203726 F\n0.760592 0.749741 0.163241 F\n0.510334 0.163241 0.250259 F\n0.923832 0.836759 0.749742 F\n0.090218 0.796274 0.956881 F\n0.843372 0.203726 0.043120 F\n0.047099 0.043119 0.796274 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 3.037477633120466,
"density_atomic": 0.04124246082736508,
"volume": 581.9245388984061,
"volume_molar": 14.601797853934572,
"formula_full": "Sb4 Cl12 F8",
"formula_reduced": "SbCl3F2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1250205434374999,
"spacegroup": 79
},
{
"id": "jvasp-117807",
"created_at": "2022-09-04T14:38:48.122338Z",
"updated_at": "2022-09-04T14:38:48.122364Z",
"structure_string": "In1 Br4 O1\n1.0\n-4.259470 4.259470 2.004392\n4.259470 -4.259470 2.004392\n4.259470 4.259470 -2.004392\nIn Br O\n1 4 1\ndirect\n-0.017940 -0.017940 -0.000000 In\n0.105495 0.668990 0.809998 Br\n0.858991 0.295496 0.190003 Br\n0.668988 0.858991 0.563496 Br\n0.295497 0.105495 0.436505 Br\n0.482064 0.482064 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"Br",
"O"
],
"chemical_system": "Br-In-O",
"density": 5.141926970328211,
"density_atomic": 0.04124748476066538,
"volume": 145.46341515887408,
"volume_molar": 14.600019358617626,
"formula_full": "In1 Br4 O1",
"formula_reduced": "InBr4O",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2540933150000002,
"spacegroup": 87
},
{
"id": "jvasp-94793",
"created_at": "2022-09-04T14:36:21.285603Z",
"updated_at": "2022-09-04T14:36:21.285625Z",
"structure_string": "Na3 P1 Se4\n1.0\n-3.646479 -3.646479 3.646479\n-3.646479 3.646479 -3.646479\n3.646479 -3.646479 -3.646479\nNa P Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 P\n0.356541 0.000000 0.000000 Se\n0.000000 0.356541 0.000000 Se\n0.000000 0.000000 0.356541 Se\n0.643459 0.643459 0.643459 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"P",
"Se"
],
"chemical_system": "Na-P-Se",
"density": 3.5598750699285997,
"density_atomic": 0.04124856507463496,
"volume": 193.94614056331022,
"volume_molar": 14.5996369791375,
"formula_full": "Na3 P1 Se4",
"formula_reduced": "Na3PSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8352182458333333,
"spacegroup": 217
},
{
"id": "jvasp-17318",
"created_at": "2022-09-04T14:38:32.359496Z",
"updated_at": "2022-09-04T14:38:32.359506Z",
"structure_string": "Pa1 As1\n1.0\n3.544630 0.000000 2.046493\n1.181543 3.341908 2.046493\n0.000000 0.000000 4.092986\nPa As\n1 1\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"As"
],
"chemical_system": "As-Pa",
"density": 10.47863021879307,
"density_atomic": 0.041250036554993715,
"volume": 48.48480551850277,
"volume_molar": 14.599116177682424,
"formula_full": "Pa1 As1",
"formula_reduced": "PaAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.8308824250000004,
"spacegroup": 225
},
{
"id": "jvasp-2835",
"created_at": "2022-09-04T14:37:00.934185Z",
"updated_at": "2022-09-04T14:37:00.934205Z",
"structure_string": "Ba1 Ag2 S2\n1.0\n2.199378 -3.809434 0.000000\n2.199378 3.809434 0.000000\n0.000000 0.000000 7.233214\nBa Ag S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333334 0.627684 Ag\n0.333334 0.666667 0.372315 Ag\n0.666667 0.333334 0.256363 S\n0.333334 0.666667 0.743636 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"S"
],
"chemical_system": "Ag-Ba-S",
"density": 5.715640259744552,
"density_atomic": 0.04125231869631639,
"volume": 121.20530816238636,
"volume_molar": 14.598308532261353,
"formula_full": "Ba1 Ag2 S2",
"formula_reduced": "Ba(AgS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.448978098,
"spacegroup": 164
}
]
}