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=-energy_above_hull&page=4443",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4441",
"results": [
{
"id": "jvasp-105553",
"created_at": "2022-09-04T14:38:48.482754Z",
"updated_at": "2022-09-04T14:38:48.482781Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n4.786867 -0.004033 3.921856\n2.243350 4.228652 3.921856\n-0.011442 -0.006876 7.917017\nBa Al Ga\n2 1 3\ndirect\n0.251605 0.251604 0.189088 Ba\n0.748244 0.748242 0.810566 Ba\n0.424065 0.424065 0.416550 Al\n0.573351 0.573350 0.584095 Ga\n0.925700 0.925700 0.236988 Ga\n0.077039 0.077037 0.762715 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 5.281960608221452,
"density_atomic": 0.03736307085640747,
"volume": 160.58637211751153,
"volume_molar": 16.11789561715656,
"formula_full": "Ba2 Al1 Ga3",
"formula_reduced": "Ba2AlGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-115699",
"created_at": "2022-09-04T14:38:45.665410Z",
"updated_at": "2022-09-04T14:38:45.665438Z",
"structure_string": "Li1 Mg1 Br1\n1.0\n-1.735011 1.735011 6.231188\n1.735011 -1.735011 6.231188\n1.735011 1.735011 -6.231188\nLi Mg Br\n1 1 1\ndirect\n0.709285 0.709285 0.000000 Li\n0.018694 0.018694 0.000000 Mg\n0.272022 0.272022 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Br"
],
"chemical_system": "Br-Li-Mg",
"density": 2.4599328581983007,
"density_atomic": 0.03998397284032041,
"volume": 75.03006296999975,
"volume_molar": 15.061386681233406,
"formula_full": "Li1 Mg1 Br1",
"formula_reduced": "LiMgBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-21726",
"created_at": "2022-09-04T14:38:34.210007Z",
"updated_at": "2022-09-04T14:38:34.210031Z",
"structure_string": "Ca4 Ga4 Au4\n1.0\n4.561345 0.000000 0.000000\n-0.000000 7.257510 0.000000\n0.000000 0.000000 7.775772\nCa Ga Au\n4 4 4\ndirect\n0.750001 0.494267 0.796715 Ca\n0.250000 0.005733 0.296715 Ca\n0.750001 0.994267 0.703284 Ca\n0.250000 0.505733 0.203285 Ca\n0.250000 0.185285 0.919474 Ga\n0.750001 0.314715 0.419474 Ga\n0.250000 0.685285 0.580525 Ga\n0.750001 0.814715 0.080525 Ga\n0.250000 0.790383 0.908381 Au\n0.750001 0.209617 0.091619 Au\n0.250000 0.290383 0.591618 Au\n0.750001 0.709617 0.408381 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Au"
],
"chemical_system": "Au-Ca-Ga",
"density": 7.91579340962199,
"density_atomic": 0.04661837851213441,
"volume": 257.4092103370024,
"volume_molar": 12.917954146415628,
"formula_full": "Ca4 Ga4 Au4",
"formula_reduced": "CaGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-111020",
"created_at": "2022-09-04T14:38:46.400863Z",
"updated_at": "2022-09-04T14:38:46.400886Z",
"structure_string": "Nd2 Cd2 In2\n1.0\n4.919619 0.000000 0.000000\n-2.459809 4.260515 0.000000\n0.000000 -0.000000 7.717234\nNd Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.261351 Nd\n0.000000 0.000000 0.738648 Nd\n0.333333 0.666666 0.475966 Cd\n0.666667 0.333333 0.524034 Cd\n0.666667 0.333333 0.946458 In\n0.333333 0.666666 0.053541 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"In"
],
"chemical_system": "Cd-In-Nd",
"density": 7.62691261026505,
"density_atomic": 0.037093346171658916,
"volume": 161.7540777322561,
"volume_molar": 16.235097076793792,
"formula_full": "Nd2 Cd2 In2",
"formula_reduced": "NdCdIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-32820",
"created_at": "2022-09-04T14:38:34.541281Z",
"updated_at": "2022-09-04T14:38:34.541313Z",
"structure_string": "Sn4 I4 Cl4\n1.0\n4.404704 0.000000 0.000000\n0.000000 8.532576 0.000000\n0.000000 0.000000 10.186893\nSn I Cl\n4 4 4\ndirect\n0.749999 0.647439 0.851797 Sn\n0.250000 0.352561 0.148203 Sn\n0.749999 0.147439 0.648202 Sn\n0.250000 0.852562 0.351797 Sn\n0.749999 0.991876 0.169252 I\n0.250000 0.508124 0.669252 I\n0.749999 0.491876 0.330747 I\n0.250000 0.008124 0.830747 I\n0.250000 0.645798 0.053007 Cl\n0.749999 0.854203 0.553007 Cl\n0.250000 0.145797 0.446993 Cl\n0.749999 0.354203 0.946993 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sn",
"I",
"Cl"
],
"chemical_system": "Cl-I-Sn",
"density": 4.876194662249585,
"density_atomic": 0.03134314757880977,
"volume": 382.858804139788,
"volume_molar": 19.213580081125617,
"formula_full": "Sn4 I4 Cl4",
"formula_reduced": "SnICl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-21485",
"created_at": "2022-09-04T14:38:33.995744Z",
"updated_at": "2022-09-04T14:38:33.995771Z",
"structure_string": "Sm4 F12\n1.0\n4.411761 -0.000000 0.000000\n0.000000 6.666662 0.000000\n0.000000 0.000000 7.059944\nSm F\n4 12\ndirect\n0.934743 0.631754 0.750000 Sm\n0.434743 0.868245 0.250000 Sm\n0.565257 0.131754 0.750000 Sm\n0.065257 0.368245 0.250000 Sm\n0.076595 0.981073 0.750000 F\n0.576595 0.518927 0.250000 F\n0.423405 0.481073 0.750000 F\n0.923405 0.018927 0.250000 F\n0.391588 0.165539 0.064446 F\n0.891587 0.334461 0.935553 F\n0.108412 0.665539 0.435554 F\n0.608412 0.834460 0.564446 F\n0.608412 0.834460 0.935553 F\n0.108412 0.665539 0.064446 F\n0.891587 0.334461 0.564446 F\n0.391588 0.165539 0.435554 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"F"
],
"chemical_system": "F-Sm",
"density": 6.63288350141079,
"density_atomic": 0.07705455422323043,
"volume": 207.64509199089383,
"volume_molar": 7.815424825576945,
"formula_full": "Sm4 F12",
"formula_reduced": "SmF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-117798",
"created_at": "2022-09-04T14:38:48.585582Z",
"updated_at": "2022-09-04T14:38:48.585601Z",
"structure_string": "I1 Br3\n1.0\n5.822527 -0.632427 -0.213850\n4.891228 -4.552760 0.982686\n-0.174135 1.406470 -6.701782\nI Br\n1 3\ndirect\n0.138656 0.559634 0.528508 I\n0.746153 0.164438 0.935176 Br\n0.392374 0.699832 0.292265 Br\n0.926496 0.428119 0.729745 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.122216822402153,
"density_atomic": 0.02708505698756472,
"volume": 147.68290876539334,
"volume_molar": 22.234181610785914,
"formula_full": "I1 Br3",
"formula_reduced": "IBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-114436",
"created_at": "2022-09-04T14:38:40.904287Z",
"updated_at": "2022-09-04T14:38:40.904322Z",
"structure_string": "Sr1 As1 F2\n1.0\n3.413209 0.000000 0.000000\n-0.000000 3.413209 0.000000\n0.000000 0.000000 6.540981\nSr As F\n1 1 2\ndirect\n0.500000 0.500000 0.512973 Sr\n0.000000 0.000000 0.085706 As\n0.000000 0.000000 0.553656 F\n0.500000 0.500000 0.857664 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"As",
"F"
],
"chemical_system": "As-F-Sr",
"density": 4.369965467360117,
"density_atomic": 0.05249178477540001,
"volume": 76.20240037779357,
"volume_molar": 11.472539533123753,
"formula_full": "Sr1 As1 F2",
"formula_reduced": "SrAsF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-111234",
"created_at": "2022-09-04T14:38:46.093671Z",
"updated_at": "2022-09-04T14:38:46.093712Z",
"structure_string": "Rb2 Tl1 As1 Br6\n1.0\n6.986085 -0.000000 4.033418\n2.328695 6.586545 4.033418\n-0.000000 -0.000000 8.066837\nRb Tl As Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.766642 0.233358 0.233359 Br\n0.233359 0.233358 0.766642 Br\n0.233360 0.766641 0.766642 Br\n0.233360 0.766641 0.233359 Br\n0.766642 0.233358 0.766642 Br\n0.766643 0.766641 0.233359 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"Br"
],
"chemical_system": "As-Br-Rb-Tl",
"density": 4.158919694153481,
"density_atomic": 0.026940471338190972,
"volume": 371.1887544381579,
"volume_molar": 22.35350927755662,
"formula_full": "Rb2 Tl1 As1 Br6",
"formula_reduced": "Rb2TlAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12887",
"created_at": "2022-09-04T14:38:34.050350Z",
"updated_at": "2022-09-04T14:38:34.050371Z",
"structure_string": "K4 Pt2 I12\n1.0\n7.516536 0.000000 0.000000\n-0.000000 7.516536 -0.000000\n0.000000 -0.000000 11.884024\nK Pt I\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.728355 I\n0.000000 0.000000 0.771644 I\n0.500000 0.500000 0.271644 I\n0.000000 0.000000 0.228355 I\n0.195717 0.303498 0.500000 I\n0.303498 0.804283 0.500000 I\n0.304283 0.803499 0.000000 I\n0.803499 0.695718 0.000000 I\n0.696502 0.195717 0.500000 I\n0.695718 0.196502 0.000000 I\n0.804283 0.696502 0.500000 I\n0.196502 0.304283 0.000000 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Pt",
"I"
],
"chemical_system": "I-K-Pt",
"density": 5.11796902053684,
"density_atomic": 0.026808560889491812,
"volume": 671.4273128721163,
"volume_molar": 22.46349882346913,
"formula_full": "K4 Pt2 I12",
"formula_reduced": "K2PtI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-110718",
"created_at": "2022-09-04T14:38:48.481966Z",
"updated_at": "2022-09-04T14:38:48.481988Z",
"structure_string": "Rb2 In1 As1 I6\n1.0\n7.362709 0.000000 4.250862\n2.454236 6.941629 4.250862\n-0.000000 0.000000 8.501724\nRb In As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.759263 0.240737 0.240737 I\n0.240737 0.240737 0.759262 I\n0.240738 0.759263 0.759262 I\n0.240738 0.759263 0.240737 I\n0.759263 0.240737 0.759262 I\n0.759263 0.759263 0.240737 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"As",
"I"
],
"chemical_system": "As-I-In-Rb",
"density": 4.288203677691847,
"density_atomic": 0.023014098275604435,
"volume": 434.51626391116395,
"volume_molar": 26.167181037823376,
"formula_full": "Rb2 In1 As1 I6",
"formula_reduced": "Rb2InAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115570",
"created_at": "2022-09-04T14:38:44.984273Z",
"updated_at": "2022-09-04T14:38:44.984308Z",
"structure_string": "Ba1 Sb1 F2\n1.0\n3.676035 0.000000 0.000000\n0.000000 3.676035 -0.000000\n0.000000 0.000000 6.974798\nBa Sb F\n1 1 2\ndirect\n0.500000 0.500000 0.489329 Ba\n0.000000 0.000000 0.932884 Sb\n0.000000 0.000000 0.445547 F\n0.500000 0.500000 0.142241 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 5.2340415677610554,
"density_atomic": 0.0424393849770478,
"volume": 94.2520727424135,
"volume_molar": 14.189981224414334,
"formula_full": "Ba1 Sb1 F2",
"formula_reduced": "BaSbF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
}
]
}