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=-chemical_system&page=3649",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3647",
"results": [
{
"id": "jvasp-58414",
"created_at": "2022-09-04T14:37:42.051811Z",
"updated_at": "2022-09-04T14:37:42.051843Z",
"structure_string": "Ca2 B4 Rh5\n1.0\n4.943232 -0.000000 2.405530\n2.471616 4.901312 1.202765\n0.005951 -0.000000 6.269572\nCa B Rh\n2 4 5\ndirect\n0.142193 0.000000 0.715615 Ca\n0.857807 0.000000 0.284385 Ca\n0.208976 0.320036 0.262011 B\n0.791024 0.679963 0.737989 B\n0.470987 0.320036 0.737989 B\n0.529013 0.679963 0.262011 B\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.250000 0.500000 0.500000 Rh\n0.750000 0.500000 0.500000 Rh\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 6.976857193127237,
"density_atomic": 0.07244895023861718,
"volume": 151.8310474309221,
"volume_molar": 8.31225399424772,
"formula_full": "Ca2 B4 Rh5",
"formula_reduced": "Ca2B4Rh5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 3.408467833939395,
"spacegroup": 69
},
{
"id": "jvasp-86226",
"created_at": "2022-09-04T14:36:09.273412Z",
"updated_at": "2022-09-04T14:36:09.273437Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260690 -0.000000 1.697295\n2.630345 4.883838 0.848647\n0.002078 -0.000000 8.994841\nCa B Rh\n3 6 8\ndirect\n0.681579 0.000000 0.636842 Ca\n0.318422 0.000000 0.363157 Ca\n0.500000 0.000000 -0.000000 Ca\n0.832919 0.334162 -0.000000 B\n0.986964 0.682479 0.343590 B\n0.167080 0.665838 0.000000 B\n0.013035 0.317522 0.656409 B\n0.330556 0.682479 0.656409 B\n0.669443 0.317522 0.343590 B\n0.913221 0.000000 0.173559 Rh\n0.415108 0.500000 0.169783 Rh\n0.086780 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169783 Rh\n0.084892 0.500000 0.830217 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 7.24590668262387,
"density_atomic": 0.0735671348129516,
"volume": 231.08144748634584,
"volume_molar": 8.185911786984253,
"formula_full": "Ca3 B6 Rh8",
"formula_reduced": "Ca3(B3Rh4)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 3.552084162352941,
"spacegroup": 69
},
{
"id": "jvasp-87064",
"created_at": "2022-09-04T14:36:08.912078Z",
"updated_at": "2022-09-04T14:36:08.912102Z",
"structure_string": "Ca2 B4 Rh4\n1.0\n5.312149 0.033540 -1.429856\n-2.795149 4.517432 -1.429856\n-0.024361 -0.044046 6.067227\nCa B Rh\n2 4 4\ndirect\n0.875000 0.125000 0.249999 Ca\n0.124999 0.874999 0.749999 Ca\n0.551690 0.448310 0.249999 B\n0.801690 0.198309 0.750000 B\n0.198310 0.801689 0.249999 B\n0.448310 0.551689 0.749999 B\n0.505460 0.755459 0.510920 Rh\n0.755460 0.505460 0.010920 Rh\n0.494540 0.244539 0.489078 Rh\n0.244539 0.494539 0.989078 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 6.106058818085545,
"density_atomic": 0.06872903488839309,
"volume": 145.49891492349172,
"volume_molar": 8.762149460965318,
"formula_full": "Ca2 B4 Rh4",
"formula_reduced": "Ca(BRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9192343173333333,
"spacegroup": 70
},
{
"id": "jvasp-86828",
"created_at": "2022-09-04T14:36:08.634324Z",
"updated_at": "2022-09-04T14:36:08.634348Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260670 -0.000000 1.697288\n2.630335 4.883951 0.848644\n0.002090 -0.000000 8.994769\nCa B Rh\n3 6 8\ndirect\n0.681576 0.000000 0.636846 Ca\n0.318424 0.000000 0.363154 Ca\n0.500000 0.000000 0.000000 Ca\n0.832913 0.334175 -0.000000 B\n0.986974 0.682461 0.343591 B\n0.167088 0.665824 -0.000000 B\n0.013027 0.317538 0.656409 B\n0.330566 0.682461 0.656409 B\n0.669435 0.317538 0.343591 B\n0.913220 0.000000 0.173559 Rh\n0.415108 0.500000 0.169784 Rh\n0.086779 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169784 Rh\n0.084892 0.500000 0.830216 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 7.245827703942195,
"density_atomic": 0.07356633294845394,
"volume": 231.08396624732498,
"volume_molar": 8.186001012473413,
"formula_full": "Ca3 B6 Rh8",
"formula_reduced": "Ca3(B3Rh4)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 3.552084162352941,
"spacegroup": 69
},
{
"id": "jvasp-18499",
"created_at": "2022-09-04T14:36:44.421853Z",
"updated_at": "2022-09-04T14:36:44.421871Z",
"structure_string": "Ca1 B2 Rh3\n1.0\n2.796092 -4.842975 0.000000\n2.796092 4.842975 -0.000000\n0.000000 0.000000 2.933902\nCa B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666666 0.500000 B\n0.666666 0.333333 0.500000 B\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 7.741054737121973,
"density_atomic": 0.07551130353090114,
"volume": 79.45830252479547,
"volume_molar": 7.975151372583029,
"formula_full": "Ca1 B2 Rh3",
"formula_reduced": "CaB2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.075352431111112,
"spacegroup": 191
},
{
"id": "jvasp-105311",
"created_at": "2022-09-04T14:36:57.566133Z",
"updated_at": "2022-09-04T14:36:57.566143Z",
"structure_string": "Ca1 B1 Pd3\n1.0\n4.296637 -0.000000 0.000000\n0.000000 4.296637 0.000000\n0.000000 0.000000 4.296637\nCa B Pd\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"B",
"Pd"
],
"chemical_system": "B-Ca-Pd",
"density": 7.748893390132091,
"density_atomic": 0.06303532732188315,
"volume": 79.32060024798533,
"volume_molar": 9.553596397221172,
"formula_full": "Ca1 B1 Pd3",
"formula_reduced": "CaBPd3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8083440206666668,
"spacegroup": 221
},
{
"id": "jvasp-112600",
"created_at": "2022-09-04T14:38:41.247188Z",
"updated_at": "2022-09-04T14:38:41.247215Z",
"structure_string": "Ca4 Y4 B4 O16\n1.0\n3.574511 -0.000000 0.000000\n0.000000 9.641301 0.000000\n-0.000000 -0.000000 10.471758\nCa Y B O\n4 4 4 16\ndirect\n0.250000 0.669042 0.083501 Ca\n0.750000 0.330958 0.916499 Ca\n0.750000 0.169042 0.416499 Ca\n0.250000 0.830958 0.583501 Ca\n0.250000 0.087455 0.112453 Y\n0.750000 0.912545 0.887547 Y\n0.750000 0.587455 0.387547 Y\n0.250000 0.412545 0.612454 Y\n0.250000 0.131154 0.699908 B\n0.750000 0.868846 0.300092 B\n0.750000 0.631154 0.800092 B\n0.250000 0.368846 0.199908 B\n0.750000 0.385245 0.492590 O\n0.250000 0.614755 0.507410 O\n0.250000 0.147543 0.567203 O\n0.750000 0.852457 0.432797 O\n0.750000 0.647543 0.932797 O\n0.250000 0.352457 0.067203 O\n0.250000 0.250043 0.775840 O\n0.750000 0.498985 0.748050 O\n0.750000 0.750043 0.724160 O\n0.250000 0.249957 0.275840 O\n0.250000 0.998985 0.751950 O\n0.750000 0.001015 0.248050 O\n0.750000 0.114755 0.992590 O\n0.250000 0.501015 0.251950 O\n0.750000 0.749957 0.224160 O\n0.250000 0.885245 0.007410 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Y",
"B",
"O"
],
"chemical_system": "B-Ca-O-Y",
"density": 3.750812049127399,
"density_atomic": 0.07758649887357746,
"volume": 360.8875307754809,
"volume_molar": 7.761841103067065,
"formula_full": "Ca4 Y4 B4 O16",
"formula_reduced": "CaYBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.2208217790476192,
"spacegroup": 62
},
{
"id": "jvasp-11190",
"created_at": "2022-09-04T14:37:07.444924Z",
"updated_at": "2022-09-04T14:37:07.444945Z",
"structure_string": "Ca1 Sn1 B2 O6\n1.0\n4.478013 -0.012770 4.098799\n1.796971 4.101665 4.098799\n-0.019598 -0.012770 6.070615\nCa Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500001 0.500001 Sn\n0.759807 0.759810 0.759810 B\n0.240191 0.240192 0.240192 B\n0.730459 0.490231 0.051780 O\n0.051779 0.730461 0.490230 O\n0.509769 0.948221 0.269541 O\n0.269539 0.509771 0.948221 O\n0.948219 0.269541 0.509771 O\n0.490229 0.051780 0.730461 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Sn",
"B",
"O"
],
"chemical_system": "B-Ca-O-Sn",
"density": 4.094010530903746,
"density_atomic": 0.08919731127262186,
"volume": 112.11100264486774,
"volume_molar": 6.751482386721259,
"formula_full": "Ca1 Sn1 B2 O6",
"formula_reduced": "CaSn(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5425398286666665,
"spacegroup": 148
},
{
"id": "jvasp-9787",
"created_at": "2022-09-04T14:37:17.234323Z",
"updated_at": "2022-09-04T14:37:17.234340Z",
"structure_string": "Ca4 Sm1 B3 O10\n1.0\n3.562970 -0.004888 0.315843\n1.266981 7.141531 3.664223\n-0.007481 0.002837 9.007595\nCa Sm B O\n4 1 3 10\ndirect\n0.669627 0.528705 0.225815 Ca\n0.340502 0.083530 0.365157 Ca\n0.340502 0.448688 0.634843 Ca\n0.669627 0.754521 0.774185 Ca\n0.000292 0.000078 -0.000000 Sm\n0.914329 0.757916 0.388890 B\n0.296686 0.376923 -0.000000 B\n0.914329 0.146807 0.611110 B\n0.916738 0.947678 0.286988 O\n0.916739 0.234666 0.713012 O\n0.246772 0.537533 0.850386 O\n0.718379 0.700711 0.537798 O\n0.112413 0.966989 0.657449 O\n0.112413 0.624438 0.342551 O\n0.246772 0.387918 0.149614 O\n0.397031 0.203170 -0.000000 O\n0.580395 0.823316 -0.000000 O\n0.718379 0.238511 0.462201 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Sm",
"B",
"O"
],
"chemical_system": "B-Ca-O-Sm",
"density": 3.6443519842703513,
"density_atomic": 0.07852180414694179,
"volume": 229.23569059003913,
"volume_molar": 7.669386644161239,
"formula_full": "Ca4 Sm1 B3 O10",
"formula_reduced": "Ca4SmB3O10",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 2.427649628055556,
"spacegroup": 8
},
{
"id": "jvasp-52189",
"created_at": "2022-09-04T14:37:05.253220Z",
"updated_at": "2022-09-04T14:37:05.253240Z",
"structure_string": "Ca4 Si2 B4 O14\n1.0\n7.150898 0.000000 0.000000\n-0.000000 7.150898 -0.000000\n0.000000 0.000000 4.824959\nCa Si B O\n4 2 4 14\ndirect\n0.339697 0.160303 0.510237 Ca\n0.839697 0.339697 0.489763 Ca\n0.160303 0.660304 0.489763 Ca\n0.660304 0.839697 0.510237 Ca\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.632756 0.132755 0.038693 B\n0.132755 0.367245 0.961307 B\n0.867245 0.632756 0.961307 B\n0.367245 0.867245 0.038693 B\n0.921290 0.823152 0.811740 O\n0.421289 0.676849 0.188260 O\n0.855870 0.644131 0.248466 O\n0.676849 0.578711 0.811740 O\n0.000000 0.500000 0.841483 O\n0.323152 0.421289 0.811740 O\n0.823152 0.078711 0.188260 O\n0.578711 0.323152 0.188260 O\n0.078711 0.176849 0.811740 O\n0.644131 0.144131 0.751535 O\n0.355869 0.855870 0.751535 O\n0.500000 0.000000 0.158517 O\n0.144131 0.355869 0.248466 O\n0.176849 0.921290 0.188260 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Si",
"B",
"O"
],
"chemical_system": "B-Ca-O-Si",
"density": 3.255570396891322,
"density_atomic": 0.09727392673811851,
"volume": 246.7259295968688,
"volume_molar": 6.190909488225809,
"formula_full": "Ca4 Si2 B4 O14",
"formula_reduced": "Ca2SiB2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.601155758888889,
"spacegroup": 113
},
{
"id": "jvasp-26181",
"created_at": "2022-09-04T14:38:03.227341Z",
"updated_at": "2022-09-04T14:38:03.227362Z",
"structure_string": "Ca2 B5 Os3\n1.0\n3.901008 -0.000014 1.192834\n1.790937 5.217856 1.118203\n0.002498 -0.030504 6.967242\nCa B Os\n2 5 3\ndirect\n0.073545 0.558066 0.760738 Ca\n0.392356 0.441937 0.239265 Ca\n0.735313 0.500001 0.500003 B\n0.475531 0.937688 0.119673 B\n0.532893 0.062318 0.880325 B\n0.374063 0.017406 0.689677 B\n0.081143 0.982589 0.310320 B\n0.010209 0.000004 -0.000003 Os\n0.878701 0.136063 0.597885 Os\n0.612649 0.863937 0.402110 Os\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"Os"
],
"chemical_system": "B-Ca-Os",
"density": 8.250619942463427,
"density_atomic": 0.07048705373938811,
"volume": 141.87002391918685,
"volume_molar": 8.543612536659102,
"formula_full": "Ca2 B5 Os3",
"formula_reduced": "Ca2B5Os3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 4.682257875666667,
"spacegroup": 5
},
{
"id": "jvasp-58333",
"created_at": "2022-09-04T14:37:37.904865Z",
"updated_at": "2022-09-04T14:37:37.904889Z",
"structure_string": "Ca3 B3 P3 O15\n1.0\n3.322661 -5.755018 -0.000000\n3.322661 5.755018 0.000000\n-0.000000 -0.000000 6.756096\nCa B P O\n3 3 3 15\ndirect\n-0.000000 0.600738 0.166667 Ca\n0.600738 -0.000000 0.833334 Ca\n0.399262 0.399262 0.500000 Ca\n0.897221 0.897221 0.500000 B\n-0.000000 0.102778 0.166667 B\n0.102778 -0.000000 0.833334 B\n-0.000000 0.579843 0.666667 P\n0.579843 -0.000000 0.333333 P\n0.420157 0.420157 0.000000 P\n0.604404 0.468315 0.153877 O\n0.192598 0.351335 0.126086 O\n0.648665 0.841263 0.459419 O\n0.158737 0.807402 0.792753 O\n0.841263 0.648665 0.540582 O\n0.807402 0.158737 0.207247 O\n0.047636 -0.000000 0.333333 O\n0.136088 0.531685 0.512789 O\n0.395595 0.863912 0.179456 O\n0.468315 0.604404 0.846123 O\n0.531685 0.136088 0.487211 O\n0.952364 0.952364 0.000000 O\n-0.000000 0.047636 0.666667 O\n0.351335 0.192598 0.873915 O\n0.863912 0.395595 0.820545 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"B",
"P",
"O"
],
"chemical_system": "B-Ca-O-P",
"density": 3.120690664336288,
"density_atomic": 0.09288652459798169,
"volume": 258.3797822544594,
"volume_molar": 6.483330909477104,
"formula_full": "Ca3 B3 P3 O15",
"formula_reduced": "CaBPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4240357504166665,
"spacegroup": 152
}
]
}