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&page=479",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=477",
"results": [
{
"id": "jvasp-1993",
"created_at": "2022-09-04T14:36:09.746894Z",
"updated_at": "2022-09-04T14:36:09.746919Z",
"structure_string": "K1 Br1\n1.0\n4.016793 0.000000 2.319096\n1.338931 3.787069 2.319096\n0.000000 0.000000 4.638194\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500001 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Br"
],
"chemical_system": "Br-K",
"density": 2.8007405121877316,
"density_atomic": 0.02834643297223281,
"volume": 70.55561459740389,
"volume_molar": 21.24479212569385,
"formula_full": "K1 Br1",
"formula_reduced": "KBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104499",
"created_at": "2022-09-04T14:36:41.511105Z",
"updated_at": "2022-09-04T14:36:41.511128Z",
"structure_string": "K1 Na1 Se1\n1.0\n4.250803 -0.000000 2.454202\n1.416934 4.007696 2.454202\n-0.000000 -0.000000 4.908405\nK Na Se\n1 1 1\ndirect\n0.499999 0.500001 0.499999 K\n0.249999 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Na",
"Se"
],
"chemical_system": "K-Na-Se",
"density": 2.8009806193841915,
"density_atomic": 0.035876916957241684,
"volume": 83.61922524099317,
"volume_molar": 16.785558154780194,
"formula_full": "K1 Na1 Se1",
"formula_reduced": "KNaSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0527766666666666,
"spacegroup": 216
},
{
"id": "jvasp-94100",
"created_at": "2022-09-04T14:35:59.583820Z",
"updated_at": "2022-09-04T14:35:59.583846Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n5.823548 0.676763 0.000000\n-2.325680 5.381722 0.000000\n0.000000 0.000000 4.620110\nMg Cr Ni\n6 1 1\ndirect\n0.133091 0.901481 0.250000 Mg\n0.598518 0.366909 0.250000 Mg\n0.618932 0.881068 0.250000 Mg\n0.345549 0.580765 0.750000 Mg\n0.919235 0.154450 0.750000 Mg\n0.871315 0.628684 0.750000 Mg\n0.399150 0.100849 0.750000 Cr\n0.114211 0.385789 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ni"
],
"chemical_system": "Cr-Mg-Ni",
"density": 2.801095511626162,
"density_atomic": 0.052607591887700984,
"volume": 152.0693062149135,
"volume_molar": 11.447284591271899,
"formula_full": "Mg6 Cr1 Ni1",
"formula_reduced": "Mg6CrNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1233980125,
"spacegroup": 38
},
{
"id": "jvasp-115582",
"created_at": "2022-09-04T14:38:29.038218Z",
"updated_at": "2022-09-04T14:38:29.038241Z",
"structure_string": "Ba1 Zn1 F1\n1.0\n4.089499 0.000000 0.000000\n0.000000 4.089499 0.000000\n0.000000 0.000000 7.859337\nBa Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.301851 Ba\n0.000000 0.000000 0.737459 Zn\n0.000000 0.000000 -0.001920 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"F"
],
"chemical_system": "Ba-F-Zn",
"density": 2.8012769958385184,
"density_atomic": 0.022824177221569684,
"volume": 131.43956826469477,
"volume_molar": 26.384919384120693,
"formula_full": "Ba1 Zn1 F1",
"formula_reduced": "BaZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1152466666666666,
"spacegroup": 99
},
{
"id": "jvasp-114788",
"created_at": "2022-09-04T14:38:41.283002Z",
"updated_at": "2022-09-04T14:38:41.283020Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n5.545583 -0.204058 1.140110\n0.021878 5.550615 1.130186\n1.410654 1.374051 5.355463\nNa Sn Cl\n1 1 3\ndirect\n0.965807 0.977953 0.567292 Na\n0.440323 0.451872 0.677117 Sn\n0.461705 -0.039785 0.556134 Cl\n-0.051757 0.473677 0.556818 Cl\n0.623919 0.636281 0.132637 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Cl"
],
"chemical_system": "Cl-Na-Sn",
"density": 2.801307582818297,
"density_atomic": 0.0340037738447676,
"volume": 147.04250248298206,
"volume_molar": 17.710212953103348,
"formula_full": "Na1 Sn1 Cl3",
"formula_reduced": "NaSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0104739999999999,
"spacegroup": 8
},
{
"id": "jvasp-51901",
"created_at": "2022-09-04T14:37:06.952926Z",
"updated_at": "2022-09-04T14:37:06.952940Z",
"structure_string": "Na4 C1 O4\n1.0\n4.620568 0.151074 -1.041965\n-0.391441 4.606436 -1.041965\n-1.192950 -1.341996 5.252792\nNa C O\n4 1 4\ndirect\n0.552828 0.552827 0.282424 Na\n0.447262 0.840680 0.857495 Na\n0.840681 0.447261 0.857496 Na\n0.159510 0.159510 0.282532 Na\n-0.000357 -0.000357 0.570101 C\n0.922406 0.922405 0.762304 O\n0.076716 0.730820 0.377903 O\n0.730821 0.076716 0.377904 O\n0.268725 0.268724 0.762310 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.8013083222354656,
"density_atomic": 0.09039187246577723,
"volume": 99.56647378233524,
"volume_molar": 6.66225911215636,
"formula_full": "Na4 C1 O4",
"formula_reduced": "Na4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.5151844444444442,
"spacegroup": 121
},
{
"id": "jvasp-107610",
"created_at": "2022-09-04T14:37:02.451536Z",
"updated_at": "2022-09-04T14:37:02.451558Z",
"structure_string": "K2 La1 Ag1 Cl6\n1.0\n6.639809 -0.000000 3.833496\n2.213270 6.260072 3.833496\n-0.000000 -0.000000 7.666991\nK La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500001 Ag\n0.746886 0.253114 0.253115 Cl\n0.253114 0.253114 0.746886 Cl\n0.253115 0.746885 0.746886 Cl\n0.253115 0.746885 0.253115 Cl\n0.746886 0.253114 0.746886 Cl\n0.746886 0.746885 0.253115 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-La",
"density": 2.801688137161045,
"density_atomic": 0.03137907459546524,
"volume": 318.68371291756176,
"volume_molar": 19.191581771089872,
"formula_full": "K2 La1 Ag1 Cl6",
"formula_reduced": "K2LaAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-48424",
"created_at": "2022-09-04T14:35:49.896311Z",
"updated_at": "2022-09-04T14:35:49.896335Z",
"structure_string": "Li10 Co2 O6 F2\n1.0\n-1.829513 -4.537131 -4.249456\n-1.829513 4.537131 -4.249456\n3.709143 0.000000 -2.853797\nLi Co O F\n10 2 6 2\ndirect\n0.955718 0.555595 0.251813 Li\n0.465995 0.041112 0.742777 Li\n0.208889 0.784006 0.507225 Li\n0.784006 0.208889 0.507225 Li\n0.984513 0.984513 0.006456 Li\n0.041112 0.465995 0.742777 Li\n0.694406 0.294283 0.998190 Li\n0.555595 0.955718 0.251813 Li\n0.294283 0.694406 0.998190 Li\n0.265487 0.265487 0.243546 Li\n0.753631 0.753631 0.749092 Co\n0.496369 0.496369 0.500911 Co\n0.230386 0.523607 0.377825 O\n0.763624 0.486377 0.625001 O\n0.523607 0.230386 0.377825 O\n0.486377 0.763624 0.625001 O\n0.726393 0.019615 0.872176 O\n0.019615 0.726393 0.872176 O\n0.977132 0.272868 0.125001 F\n0.272868 0.977132 0.125001 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.8018309414201377,
"density_atomic": 0.1050396334409336,
"volume": 190.40432020592016,
"volume_molar": 5.733208087960817,
"formula_full": "Li10 Co2 O6 F2",
"formula_reduced": "Li5CoO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.4570681682499995,
"spacegroup": 12
},
{
"id": "jvasp-51727",
"created_at": "2022-09-04T14:37:27.130181Z",
"updated_at": "2022-09-04T14:37:27.130212Z",
"structure_string": "Li8 H4 I4 O4\n1.0\n5.527022 -0.000000 0.000000\n0.000000 6.646584 0.000000\n0.000000 0.000000 10.182637\nLi H I O\n8 4 4 4\ndirect\n0.000453 0.562271 0.889543 Li\n0.499546 0.937728 0.389543 Li\n0.500453 0.437729 0.110457 Li\n-0.000453 0.062271 0.610457 Li\n-0.000453 0.437729 0.110457 Li\n0.500453 0.062271 0.610457 Li\n0.499546 0.562271 0.889543 Li\n0.000453 0.937728 0.389543 Li\n0.750000 0.275176 0.946902 H\n0.750000 0.224824 0.446902 H\n0.250000 0.724824 0.053098 H\n0.250000 0.775176 0.553098 H\n0.250000 0.417441 0.671421 I\n0.250000 0.082559 0.171421 I\n0.750000 0.582559 0.328579 I\n0.750000 0.917440 0.828579 I\n0.250000 0.914678 0.521137 O\n0.250000 0.585322 0.021137 O\n0.750000 0.085322 0.478863 O\n0.750000 0.414678 0.978864 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"I",
"O"
],
"chemical_system": "H-I-Li-O",
"density": 2.801877207452289,
"density_atomic": 0.05346628914449958,
"volume": 374.06747915396573,
"volume_molar": 11.263435066017736,
"formula_full": "Li8 H4 I4 O4",
"formula_reduced": "Li2HIO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9832799549999998,
"spacegroup": 62
},
{
"id": "jvasp-111891",
"created_at": "2022-09-04T14:38:42.050505Z",
"updated_at": "2022-09-04T14:38:42.050532Z",
"structure_string": "Li16 Co2 O10 F2\n1.0\n5.242851 0.061337 0.526847\n-0.243894 5.666584 0.768663\n0.069022 -0.067978 8.508974\nLi Co O F\n16 2 10 2\ndirect\n0.345658 0.234781 0.120872 Li\n0.141882 0.275478 0.381361 Li\n0.345116 0.914350 0.449965 Li\n0.845165 0.414369 0.949945 Li\n0.810879 0.057174 0.285441 Li\n0.310911 0.557160 0.785454 Li\n0.019142 0.318493 0.662249 Li\n0.519145 0.818459 0.162280 Li\n0.641931 0.775497 0.881361 Li\n0.505905 0.151975 0.859675 Li\n0.183494 0.942349 0.705020 Li\n0.683468 0.442305 0.204980 Li\n0.666969 0.099346 0.562519 Li\n0.167009 0.599325 0.062479 Li\n0.845667 0.734809 0.620821 Li\n0.005820 0.651984 0.359560 Li\n0.987124 -0.000391 0.974939 Co\n0.487082 0.499595 0.474925 Co\n0.329956 0.198808 0.557546 O\n0.829991 0.698819 0.057553 O\n0.797389 0.345854 0.405997 O\n0.297433 0.845871 0.906011 O\n0.190252 0.647975 0.580899 O\n0.833447 0.013392 0.747782 O\n0.671743 0.798908 0.432737 O\n0.171799 0.298922 0.932780 O\n0.333423 0.513349 0.247769 O\n0.690250 0.147998 0.080889 O\n0.670999 0.501546 0.773087 F\n0.170952 0.001493 0.273095 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.801991820633756,
"density_atomic": 0.11857672215580482,
"volume": 253.0007530532111,
"volume_molar": 5.07868715757479,
"formula_full": "Li16 Co2 O10 F2",
"formula_reduced": "Li8CoO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.584587912166667,
"spacegroup": 1
},
{
"id": "jvasp-62361",
"created_at": "2022-09-04T14:36:05.527767Z",
"updated_at": "2022-09-04T14:36:05.527788Z",
"structure_string": "Li12 Al4 F24\n1.0\n4.891268 0.000000 0.000000\n0.000000 8.279740 0.000000\n0.000000 0.000000 9.470359\nLi Al F\n12 4 24\ndirect\n0.508320 0.648460 0.625334 Li\n0.008320 0.351540 0.374666 Li\n0.508320 0.851540 0.125334 Li\n0.008320 0.148460 0.874667 Li\n0.494720 0.544880 0.896688 Li\n0.994720 0.455120 0.103312 Li\n0.494720 0.955120 0.396688 Li\n0.994720 0.044880 0.603313 Li\n0.002545 0.453843 0.647242 Li\n0.502545 0.546157 0.352758 Li\n0.002545 0.046157 0.147242 Li\n0.502545 0.953843 0.852758 Li\n0.499885 0.260516 0.628490 Al\n-0.000116 0.739484 0.371510 Al\n0.499885 0.239484 0.128490 Al\n-0.000116 0.760516 0.871510 Al\n0.330713 0.090035 0.011430 F\n0.830713 0.909965 0.988570 F\n0.674711 0.117999 0.746493 F\n0.174711 0.882001 0.253507 F\n0.674711 0.382001 0.246493 F\n0.174711 0.617999 0.753507 F\n0.348334 0.097208 0.528296 F\n0.848335 0.902792 0.471704 F\n0.348334 0.402792 0.028296 F\n0.848335 0.597208 0.971704 F\n0.194996 0.268905 0.738572 F\n0.641491 0.434451 0.725749 F\n0.194996 0.231095 0.238571 F\n0.694996 0.768905 0.761429 F\n0.811456 0.255763 0.522889 F\n0.311456 0.744237 0.477111 F\n0.811456 0.244237 0.022889 F\n0.311456 0.755763 0.977111 F\n0.830713 0.590035 0.488570 F\n0.141491 0.565549 0.274251 F\n0.641491 0.065549 0.225749 F\n0.141491 0.934451 0.774251 F\n0.694996 0.731095 0.261429 F\n0.330713 0.409965 0.511430 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-Li",
"density": 2.802008645770404,
"density_atomic": 0.10429305530186107,
"volume": 383.53464556413485,
"volume_molar": 5.774249054809824,
"formula_full": "Li12 Al4 F24",
"formula_reduced": "Li3AlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0035544495,
"spacegroup": 33
},
{
"id": "jvasp-18564",
"created_at": "2022-09-04T14:36:48.793269Z",
"updated_at": "2022-09-04T14:36:48.793294Z",
"structure_string": "Li1 Mg2 Ge1\n1.0\n4.116987 -0.000000 2.376944\n1.372329 3.881533 2.376944\n0.000000 -0.000000 4.753887\nLi Mg Ge\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Li\n0.250000 0.250000 0.250000 Mg\n0.750001 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ge"
],
"chemical_system": "Ge-Li-Mg",
"density": 2.8020443191079654,
"density_atomic": 0.052653635001701914,
"volume": 75.96816439872971,
"volume_molar": 11.437274482199276,
"formula_full": "Li1 Mg2 Ge1",
"formula_reduced": "LiMg2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}