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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=949",
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"results": [
{
"id": "jvasp-95288",
"created_at": "2022-09-04T14:36:09.874438Z",
"updated_at": "2022-09-04T14:36:09.874456Z",
"structure_string": "Sr2 C4 S4 N4\n1.0\n5.960303 0.032115 0.123000\n2.275318 5.509007 0.123000\n0.016821 0.011317 8.040539\nSr C S N\n2 4 4 4\ndirect\n0.907904 0.092096 0.750000 Sr\n0.092096 0.907904 0.250000 Sr\n0.753255 0.486482 0.101618 C\n0.486482 0.753255 0.601618 C\n0.246745 0.513519 0.898382 C\n0.513518 0.246745 0.398382 C\n0.353645 0.237677 0.829604 S\n0.762323 0.646354 0.670396 S\n0.646354 0.762323 0.170396 S\n0.237677 0.353646 0.329604 S\n0.835356 0.283765 0.052642 N\n0.283765 0.835357 0.552642 N\n0.716235 0.164643 0.447358 N\n0.164643 0.716236 0.947358 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-N-S-Sr",
"density": 2.5693232751906376,
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"volume": 263.4099218629152,
"volume_molar": 11.330654478850548,
"formula_full": "Sr2 C4 S4 N4",
"formula_reduced": "SrC2(SN)2",
"formula_anonymous": "AB2C2D2",
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},
{
"id": "jvasp-7658",
"created_at": "2022-09-04T14:37:04.449346Z",
"updated_at": "2022-09-04T14:37:04.449366Z",
"structure_string": "Sr2 C4\n1.0\n4.019115 0.003432 1.042527\n1.562995 3.702747 1.042527\n-0.009363 -0.006216 7.718553\nSr C\n2 4\ndirect\n0.821951 0.178049 0.250000 Sr\n0.178050 0.821951 0.750000 Sr\n0.133288 0.424249 0.443515 C\n0.575751 0.866713 0.056485 C\n0.424250 0.133287 0.943515 C\n0.866713 0.575750 0.556485 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"density": 3.227556434633962,
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"volume": 114.87632201290495,
"volume_molar": 11.530023019213337,
"formula_full": "Sr2 C4",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3463487699999988,
"spacegroup": 15
},
{
"id": "jvasp-56861",
"created_at": "2022-09-04T14:37:57.282680Z",
"updated_at": "2022-09-04T14:37:57.282695Z",
"structure_string": "Sr2 C1 N2 Cl2\n1.0\n4.242814 0.000000 0.000000\n-2.121407 4.804322 -0.674457\n0.000000 -0.025833 7.264811\nSr C N Cl\n2 1 2 2\ndirect\n0.682537 0.365077 0.270076 Sr\n0.317462 0.634924 0.729923 Sr\n0.000000 0.000000 0.500000 C\n0.114917 0.229833 0.445517 N\n0.885082 0.770167 0.554483 N\n0.371304 0.742608 0.148939 Cl\n0.628695 0.257392 0.851061 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N-Sr",
"density": 3.2105525649983444,
"density_atomic": 0.04729382849339063,
"volume": 148.01085517909084,
"volume_molar": 12.733460055663713,
"formula_full": "Sr2 C1 N2 Cl2",
"formula_reduced": "Sr2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.266523893571428,
"spacegroup": 12
},
{
"id": "jvasp-37581",
"created_at": "2022-09-04T14:38:01.809771Z",
"updated_at": "2022-09-04T14:38:01.809794Z",
"structure_string": "Sr2 Br6\n1.0\n3.341315 -5.787328 -0.000000\n3.341315 5.787328 0.000000\n-0.000000 0.000000 5.898844\nSr Br\n2 6\ndirect\n0.333334 0.666668 0.250000 Sr\n0.666668 0.333334 0.749999 Sr\n0.171590 0.828411 0.749999 Br\n0.656821 0.828412 0.749999 Br\n0.171590 0.343180 0.749999 Br\n0.828411 0.171590 0.250000 Br\n0.343180 0.171590 0.250000 Br\n0.828412 0.656821 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 4.765134167523925,
"density_atomic": 0.03506691518950952,
"volume": 228.13526529967618,
"volume_molar": 17.17328349943242,
"formula_full": "Sr2 Br6",
"formula_reduced": "SrBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1628860262499999,
"spacegroup": 194
},
{
"id": "jvasp-100757",
"created_at": "2022-09-04T14:36:59.514750Z",
"updated_at": "2022-09-04T14:36:59.514776Z",
"structure_string": "Sr2 Br4\n1.0\n7.070457 -0.000000 0.000000\n0.000000 7.070457 0.000000\n-0.000000 -0.000000 4.653333\nSr Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.303096 0.303096 -0.000000 Br\n0.696904 0.696904 -0.000000 Br\n0.196904 0.803097 0.500000 Br\n0.803097 0.196904 0.500000 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 3.5323915285976373,
"density_atomic": 0.025792423264947233,
"volume": 232.6264553883233,
"volume_molar": 23.348487647472393,
"formula_full": "Sr2 Br4",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0148566666666666,
"spacegroup": 136
},
{
"id": "jvasp-22526",
"created_at": "2022-09-04T14:37:18.288987Z",
"updated_at": "2022-09-04T14:37:18.289006Z",
"structure_string": "Sr2 Br2 F2\n1.0\n4.224630 0.000000 0.000000\n-0.000000 4.224630 0.000000\n-0.000000 0.000000 7.332647\nSr Br F\n2 2 2\ndirect\n0.750000 0.750000 0.812449 Sr\n0.250000 0.250000 0.187551 Sr\n0.250000 0.250000 0.646907 Br\n0.750000 0.750000 0.353094 Br\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Br",
"F"
],
"chemical_system": "Br-F-Sr",
"density": 4.733386413392521,
"density_atomic": 0.04584723138947646,
"volume": 130.8694073373689,
"volume_molar": 13.135233202723539,
"formula_full": "Sr2 Br2 F2",
"formula_reduced": "SrBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-23870",
"created_at": "2022-09-04T14:37:39.801457Z",
"updated_at": "2022-09-04T14:37:39.801473Z",
"structure_string": "Sr2 Br2 F2\n1.0\n4.224630 0.000000 0.000000\n0.000000 4.224630 0.000000\n0.000000 0.000000 7.332647\nSr Br F\n2 2 2\ndirect\n0.500000 0.000000 0.812449 Sr\n0.000000 0.500000 0.187551 Sr\n0.000000 0.500000 0.646907 Br\n0.500000 0.000000 0.353094 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Br",
"F"
],
"chemical_system": "Br-F-Sr",
"density": 4.733386413392521,
"density_atomic": 0.04584723138947646,
"volume": 130.8694073373689,
"volume_molar": 13.135233202723539,
"formula_full": "Sr2 Br2 F2",
"formula_reduced": "SrBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-1978",
"created_at": "2022-09-04T14:36:07.159504Z",
"updated_at": "2022-09-04T14:36:07.159532Z",
"structure_string": "Sr2 Br1 N1\n1.0\n3.806815 0.007422 6.648678\n1.774409 3.367992 6.648678\n0.012271 0.007422 7.661371\nSr Br N\n2 1 1\ndirect\n0.772322 0.772321 0.772324 Sr\n0.227678 0.227677 0.227678 Sr\n0.000000 0.000000 0.000000 Br\n0.500000 0.499999 0.500001 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Br",
"N"
],
"chemical_system": "Br-N-Sr",
"density": 4.572061921102548,
"density_atomic": 0.04091923292316249,
"volume": 97.75354312020312,
"volume_molar": 14.717139911464821,
"formula_full": "Sr2 Br1 N1",
"formula_reduced": "Sr2BrN",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6091674937499999,
"spacegroup": 166
},
{
"id": "jvasp-56720",
"created_at": "2022-09-04T14:38:19.665932Z",
"updated_at": "2022-09-04T14:38:19.665953Z",
"structure_string": "Sr2 Bi4 Pd4\n1.0\n0.000000 4.982566 -0.015401\n4.834349 0.000000 0.000000\n0.000000 -0.387457 -10.842775\nSr Bi Pd\n2 4 4\ndirect\n0.735036 0.250000 0.237301 Sr\n0.264964 0.750000 0.762699 Sr\n0.799073 0.250000 0.880855 Bi\n0.200927 0.750000 0.119146 Bi\n0.751496 0.750000 0.496048 Bi\n0.248504 0.250000 0.503953 Bi\n0.753803 0.250000 0.630162 Pd\n0.246197 0.750000 0.369839 Pd\n0.316014 0.250000 0.000271 Pd\n0.683987 0.750000 -0.000271 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd-Sr",
"density": 9.134368302646802,
"density_atomic": 0.03828428387042181,
"volume": 261.2037888405152,
"volume_molar": 15.730059834428996,
"formula_full": "Sr2 Bi4 Pd4",
"formula_reduced": "Sr(BiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8526952620000001,
"spacegroup": 11
},
{
"id": "jvasp-12983",
"created_at": "2022-09-04T14:36:53.187919Z",
"updated_at": "2022-09-04T14:36:53.187939Z",
"structure_string": "Sr2 Bi4 O8\n1.0\n4.277317 -0.000000 -0.965832\n-0.098566 6.059454 -0.436514\n-0.007396 0.096943 9.921504\nSr Bi O\n2 4 8\ndirect\n0.234536 0.260594 0.469074 Sr\n0.765462 0.739405 0.530926 Sr\n0.426209 0.725282 0.852420 Bi\n0.573790 0.274717 0.147580 Bi\n0.100186 0.810597 0.200374 Bi\n0.899813 0.189402 0.799626 Bi\n0.090128 0.172351 0.180256 O\n0.909871 0.827648 0.819744 O\n0.206268 0.853126 0.412539 O\n0.793730 0.146873 0.587461 O\n0.326199 0.575535 0.652399 O\n0.673800 0.424464 0.347601 O\n0.588876 0.921087 0.177753 O\n0.411123 0.078912 0.822247 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 7.351941697887638,
"density_atomic": 0.05441235033755693,
"volume": 257.2945280464536,
"volume_molar": 11.067599033382225,
"formula_full": "Sr2 Bi4 O8",
"formula_reduced": "Sr(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5056555585714282,
"spacegroup": 12
},
{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-O-Sr",
"density": 5.662302708858507,
"density_atomic": 0.08178199099042041,
"volume": 415.7394505592633,
"volume_molar": 7.363651443391013,
"formula_full": "Sr2 Bi4 B8 O20",
"formula_reduced": "SrBi2(B2O5)2",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 3.045842955490196,
"spacegroup": 2
},
{
"id": "jvasp-26408",
"created_at": "2022-09-04T14:37:40.735780Z",
"updated_at": "2022-09-04T14:37:40.735800Z",
"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O-Sr",
"density": 6.483277072995382,
"density_atomic": 0.042857181735935834,
"volume": 233.33312166009694,
"volume_molar": 14.051649026073088,
"formula_full": "Sr2 Bi2 I2 O4",
"formula_reduced": "SrBiIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6295847770000002,
"spacegroup": 63
}
]
}