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=volume_molar&page=4532",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4530",
"results": [
{
"id": "jvasp-50007",
"created_at": "2022-09-04T14:35:49.828075Z",
"updated_at": "2022-09-04T14:35:49.828101Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n0.000000 7.186382 0.000000\n-12.454717 3.593191 -1.379834\n0.657333 0.000000 8.679060\nSr Ca I\n2 4 12\ndirect\n0.702616 0.000000 0.750000 Sr\n0.297384 0.000000 0.250000 Sr\n0.404239 0.657733 0.895947 Ca\n0.938027 0.657733 0.395947 Ca\n0.061972 0.342268 0.604053 Ca\n0.595760 0.342267 0.104053 Ca\n0.898676 0.211632 0.317135 I\n0.889692 0.211632 0.817135 I\n0.274292 0.450925 0.380181 I\n0.274782 0.450926 0.880181 I\n0.725217 0.549075 0.119820 I\n0.101324 0.788368 0.682866 I\n0.110307 0.788368 0.182866 I\n0.436250 0.158501 0.532781 I\n0.563750 0.841499 0.467219 I\n0.594749 0.841500 0.967219 I\n0.725707 0.549075 0.619820 I\n0.405250 0.158501 0.032781 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.006196353689506,
"density_atomic": 0.023367654573205998,
"volume": 770.2955358061181,
"volume_molar": 25.77126746346702,
"formula_full": "Sr2 Ca4 I12",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0053799999999999,
"spacegroup": 15
},
{
"id": "jvasp-76884",
"created_at": "2022-09-04T14:37:58.766414Z",
"updated_at": "2022-09-04T14:37:58.766436Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-17.743189 -0.000001 -10.244034\n-10.295996 -0.489325 -2.654880\n-9.115726 2.848986 -4.699169\nBa Mg Cd\n2 1 1\ndirect\n0.663344 0.000001 0.000000 Ba\n0.336655 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000001 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 3.9905045793463088,
"density_atomic": 0.023367168523278595,
"volume": 171.18034630576494,
"volume_molar": 25.771803519971566,
"formula_full": "Ba2 Mg1 Cd1",
"formula_reduced": "Ba2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-22458",
"created_at": "2022-09-04T14:38:32.533292Z",
"updated_at": "2022-09-04T14:38:32.533300Z",
"structure_string": "Ba10 Sb6\n1.0\n5.048711 -8.744624 0.000000\n5.048711 8.744624 0.000000\n-0.000000 0.000000 7.754844\nBa Sb\n10 6\ndirect\n0.743375 0.000000 0.250000 Ba\n0.256624 0.000000 0.750000 Ba\n0.743375 0.743375 0.750000 Ba\n0.000000 0.743375 0.250000 Ba\n0.256624 0.256624 0.250000 Ba\n0.000000 0.256624 0.750000 Ba\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.000000 0.389816 0.250000 Sb\n0.389816 0.389816 0.750000 Sb\n0.610183 0.000000 0.750000 Sb\n0.389816 0.000000 0.250000 Sb\n0.610183 0.610183 0.250000 Sb\n0.000000 0.610183 0.750000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.101936252441848,
"density_atomic": 0.023366586289857612,
"volume": 684.7384466658223,
"volume_molar": 25.772445685033336,
"formula_full": "Ba10 Sb6",
"formula_reduced": "Ba5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.39062976875,
"spacegroup": 193
},
{
"id": "jvasp-64193",
"created_at": "2022-09-04T14:38:11.894483Z",
"updated_at": "2022-09-04T14:38:11.894504Z",
"structure_string": "Ba4 Li1 Ge1\n1.0\n0.000000 5.044819 5.044819\n5.044819 0.000000 5.044819\n5.044819 5.044819 0.000000\nBa Li Ge\n4 1 1\ndirect\n0.130129 0.623291 0.623291 Ba\n0.623291 0.623291 0.623291 Ba\n0.623291 0.130129 0.623291 Ba\n0.623291 0.623291 0.130129 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ge"
],
"chemical_system": "Ba-Ge-Li",
"density": 4.06683294512036,
"density_atomic": 0.023366006196372087,
"volume": 256.7832923425137,
"volume_molar": 25.773085521714126,
"formula_full": "Ba4 Li1 Ge1",
"formula_reduced": "Ba4LiGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1624816383333332,
"spacegroup": 216
},
{
"id": "jvasp-29946",
"created_at": "2022-09-04T14:38:13.946194Z",
"updated_at": "2022-09-04T14:38:13.946223Z",
"structure_string": "Pb3 I6\n1.0\n4.846493 0.171701 20.755236\n2.536486 4.133307 20.755236\n0.294463 0.171701 21.311537\nPb I\n3 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.555463 0.555464 0.555464 Pb\n0.444536 0.444537 0.444537 Pb\n0.081334 0.081334 0.081334 I\n0.303451 0.303452 0.303452 I\n0.807757 0.807758 0.807758 I\n0.192242 0.192242 0.192242 I\n0.918665 0.918667 0.918667 I\n0.696548 0.696549 0.696549 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.962205806969824,
"density_atomic": 0.023365214537099707,
"volume": 385.18798899576285,
"volume_molar": 25.773958764375717,
"formula_full": "Pb3 I6",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0003233333333333,
"spacegroup": 166
},
{
"id": "jvasp-66291",
"created_at": "2022-09-04T14:35:47.410593Z",
"updated_at": "2022-09-04T14:35:47.410621Z",
"structure_string": "Ba1 Sb1 Te1\n1.0\n-0.000000 4.004124 4.004124\n4.004124 -0.000000 4.004124\n4.004124 4.004124 -0.000000\nBa Sb Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Te"
],
"chemical_system": "Ba-Sb-Te",
"density": 5.000991527385423,
"density_atomic": 0.023365157034932717,
"volume": 128.39631231730084,
"volume_molar": 25.774022194656915,
"formula_full": "Ba1 Sb1 Te1",
"formula_reduced": "BaSbTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5229566122222222,
"spacegroup": 216
},
{
"id": "jvasp-29529",
"created_at": "2022-09-04T14:38:04.098451Z",
"updated_at": "2022-09-04T14:38:04.098468Z",
"structure_string": "Pb7 I14\n1.0\n4.589174 -0.000000 -0.000000\n-2.294586 3.974341 0.000000\n-0.000000 -0.000000 49.286415\nPb I\n7 14\ndirect\n0.333332 0.666667 0.180921 Pb\n0.333332 0.666667 0.466349 Pb\n0.000000 0.000000 0.895024 Pb\n0.333332 0.666667 0.751779 Pb\n0.333332 0.666667 0.609018 Pb\n0.333332 0.666667 0.323707 Pb\n0.333332 0.666667 0.038193 Pb\n0.666666 0.333333 0.219360 I\n0.000000 0.000000 0.285273 I\n0.000000 0.000000 0.570590 I\n0.666666 0.333333 0.647451 I\n0.000000 0.000000 0.999769 I\n0.333332 0.666667 0.856587 I\n0.666666 0.333333 0.790215 I\n0.000000 0.000000 0.142488 I\n0.666666 0.333333 0.504778 I\n0.666666 0.333333 0.076636 I\n0.000000 0.000000 0.427923 I\n0.666666 0.333333 0.933468 I\n0.666666 0.333333 0.362135 I\n0.000000 0.000000 0.713334 I\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.9611438758502535,
"density_atomic": 0.023361052948379746,
"volume": 898.932083515375,
"volume_molar": 25.778550193379356,
"formula_full": "Pb7 I14",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002533333333333,
"spacegroup": 156
},
{
"id": "jvasp-29528",
"created_at": "2022-09-04T14:37:56.918094Z",
"updated_at": "2022-09-04T14:37:56.918125Z",
"structure_string": "Pb5 I10\n1.0\n4.588677 -0.000000 -0.000000\n-2.294339 3.973912 -0.000000\n0.000000 0.000000 35.214740\nPb I\n5 10\ndirect\n-0.000000 -0.000000 0.853002 Pb\n0.333333 0.666667 0.452924 Pb\n0.333333 0.666667 0.652641 Pb\n0.333333 0.666667 0.253090 Pb\n0.333333 0.666667 0.053336 Pb\n0.666667 0.333333 0.107152 I\n0.666667 0.333333 0.706430 I\n-0.000000 -0.000000 0.199287 I\n0.333333 0.666667 0.799205 I\n0.666667 0.333333 0.506718 I\n0.000000 0.000000 -0.000441 I\n0.666667 0.333333 0.306891 I\n0.666667 0.333333 0.906809 I\n-0.000000 -0.000000 0.399124 I\n-0.000000 -0.000000 0.598832 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.9607132354993535,
"density_atomic": 0.023359365317239044,
"volume": 642.1407344030066,
"volume_molar": 25.780412602031202,
"formula_full": "Pb5 I10",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00024,
"spacegroup": 156
},
{
"id": "jvasp-107869",
"created_at": "2022-09-04T14:36:37.836375Z",
"updated_at": "2022-09-04T14:36:37.836398Z",
"structure_string": "Rb2 In1 Ga1 I6\n1.0\n7.326347 -0.000000 4.229869\n2.442116 6.907347 4.229869\n-0.000000 -0.000000 8.459737\nRb In Ga I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.747406 0.252594 0.252594 I\n0.252594 0.252594 0.747406 I\n0.252595 0.747406 0.747406 I\n0.252595 0.747406 0.252594 I\n0.747406 0.252594 0.747406 I\n0.747406 0.747406 0.252594 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Ga",
"I"
],
"chemical_system": "Ga-I-In-Rb",
"density": 4.332205986464284,
"density_atomic": 0.02335846931225121,
"volume": 428.11024413980465,
"volume_molar": 25.781401510078688,
"formula_full": "Rb2 In1 Ga1 I6",
"formula_reduced": "Rb2InGaI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-29322",
"created_at": "2022-09-04T14:36:58.873782Z",
"updated_at": "2022-09-04T14:36:58.873811Z",
"structure_string": "Pb2 I4\n1.0\n4.536984 0.007465 13.629727\n2.215097 3.959499 13.629727\n0.012707 0.007465 14.365011\nPb I\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500001 0.499999 Pb\n0.121877 0.121877 0.121877 I\n0.878122 0.878125 0.878122 I\n0.288544 0.288545 0.288544 I\n0.711455 0.711458 0.711455 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.959758235413386,
"density_atomic": 0.023355622779223078,
"volume": 256.89745277687643,
"volume_molar": 25.78454369179671,
"formula_full": "Pb2 I4",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002133333333333,
"spacegroup": 166
},
{
"id": "jvasp-117747",
"created_at": "2022-09-04T14:38:47.601345Z",
"updated_at": "2022-09-04T14:38:47.601381Z",
"structure_string": "Rb1 Bi1 S1\n1.0\n3.818833 -0.000000 -0.000000\n-0.000000 3.818833 0.000000\n-0.000000 -0.000000 8.808868\nRb Bi S\n1 1 1\ndirect\n0.000000 0.000000 0.670645 Rb\n0.000000 0.000000 0.271873 Bi\n0.000000 0.000000 0.001379 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"S"
],
"chemical_system": "Bi-Rb-S",
"density": 4.220543734525365,
"density_atomic": 0.02335284618983057,
"volume": 128.4639985898766,
"volume_molar": 25.78760940335595,
"formula_full": "Rb1 Bi1 S1",
"formula_reduced": "RbBiS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5579814333333334,
"spacegroup": 99
},
{
"id": "jvasp-112463",
"created_at": "2022-09-04T14:38:40.591033Z",
"updated_at": "2022-09-04T14:38:40.591059Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n8.410366 -0.013638 0.447800\n-4.471051 7.123493 0.447800\n-0.156929 -0.283233 12.843150\nSr Ca I\n4 2 12\ndirect\n0.295629 0.583673 0.575256 Sr\n0.416328 0.704371 0.924744 Sr\n0.583673 0.295629 0.075256 Sr\n0.704371 0.416327 0.424744 Sr\n-0.013760 0.013760 0.250000 Ca\n0.013760 -0.013759 0.750000 Ca\n0.986835 0.257095 0.432591 I\n0.742905 0.013166 0.067409 I\n0.621415 0.933026 0.694658 I\n0.411396 0.276501 0.628966 I\n0.588605 0.723499 0.371034 I\n0.013166 0.742904 0.567409 I\n0.257096 0.986834 0.932591 I\n0.066974 0.378585 0.805342 I\n0.933027 0.621414 0.194658 I\n0.276501 0.411395 0.128966 I\n0.378585 0.066973 0.305342 I\n0.723500 0.588605 0.871034 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.208411691638327,
"density_atomic": 0.023352345838548238,
"volume": 770.8005064864618,
"volume_molar": 25.788161933004258,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0002311111111115,
"spacegroup": 15
}
]
}