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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4430",
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"results": [
{
"id": "jvasp-99128",
"created_at": "2022-09-04T14:36:14.665174Z",
"updated_at": "2022-09-04T14:36:14.665198Z",
"structure_string": "Ba4 Zn2 Si4 O14\n1.0\n6.703542 0.004534 -1.544422\n-2.014428 6.393713 -1.544422\n0.004138 0.005645 8.523321\nBa Zn Si O\n4 2 4 14\ndirect\n0.816663 0.731349 0.026330 Ba\n0.731349 0.816663 0.526330 Ba\n0.268650 0.183336 0.473670 Ba\n0.183336 0.268651 0.973670 Ba\n0.741000 0.258999 0.250000 Zn\n0.258999 0.741000 0.750000 Zn\n0.167862 0.604023 0.362611 Si\n0.395976 0.832137 0.137390 Si\n0.832137 0.395976 0.637390 Si\n0.604024 0.167863 0.862611 Si\n0.759210 0.023236 0.867049 O\n0.618452 0.325315 0.044487 O\n0.976764 0.240790 0.632951 O\n0.674685 0.381547 0.455514 O\n0.041849 0.355314 0.263912 O\n0.665273 0.334727 0.750000 O\n0.355315 0.041850 0.763912 O\n0.334727 0.665272 0.250000 O\n0.240790 0.976764 0.132951 O\n0.023236 0.759209 0.367049 O\n0.958150 0.644685 0.736088 O\n0.381548 0.674685 0.955514 O\n0.644685 0.958150 0.236088 O\n0.325315 0.618452 0.544487 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Ba-O-Si-Zn",
"density": 4.617868031454965,
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"volume": 365.50868580989015,
"volume_molar": 9.171436478957387,
"formula_full": "Ba4 Zn2 Si4 O14",
"formula_reduced": "Ba2ZnSi2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 15
},
{
"id": "jvasp-34230",
"created_at": "2022-09-04T14:36:37.711103Z",
"updated_at": "2022-09-04T14:36:37.711123Z",
"structure_string": "Ba2 Zn1 Re1 O6\n1.0\n5.011447 0.000063 2.893390\n1.670472 4.724789 2.893510\n-0.000003 0.000146 5.786785\nBa Zn Re O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250001 0.250000 0.250001 Ba\n0.000000 -0.000000 0.000000 Zn\n0.500001 0.500000 0.500000 Re\n0.261618 0.738383 0.261621 O\n0.261622 0.261622 0.738381 O\n0.738383 0.261623 0.261619 O\n0.738378 0.738379 0.261618 O\n0.261618 0.738378 0.738381 O\n0.738382 0.261618 0.738379 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Re",
"O"
],
"chemical_system": "Ba-O-Re-Zn",
"density": 7.541345108881468,
"density_atomic": 0.07298327819261363,
"volume": 137.01768744353365,
"volume_molar": 8.251398003946441,
"formula_full": "Ba2 Zn1 Re1 O6",
"formula_reduced": "Ba2ZnReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.080394134,
"spacegroup": 225
},
{
"id": "jvasp-69204",
"created_at": "2022-09-04T14:35:44.346813Z",
"updated_at": "2022-09-04T14:35:44.346846Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n0.000000 4.203611 4.203611\n4.203611 0.000000 4.203611\n4.203611 4.203611 0.000000\nBa Zn Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 6.117128859485977,
"density_atomic": 0.026925416884834758,
"volume": 148.55851692505922,
"volume_molar": 22.366007500488728,
"formula_full": "Ba2 Zn1 Pb1",
"formula_reduced": "Ba2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109626",
"created_at": "2022-09-04T14:38:19.508473Z",
"updated_at": "2022-09-04T14:38:19.508489Z",
"structure_string": "Ba2 Zn1 Os1 O6\n1.0\n5.003197 -0.000000 2.888597\n1.667732 4.717059 2.888597\n0.000000 -0.000000 5.777194\nBa Zn Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Os\n0.760485 0.239515 0.239515 O\n0.239515 0.760485 0.760485 O\n0.239515 0.760485 0.239516 O\n0.760485 0.239515 0.760484 O\n0.239515 0.239515 0.760484 O\n0.760485 0.760485 0.239516 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Os",
"O"
],
"chemical_system": "Ba-O-Os-Zn",
"density": 7.627606767388241,
"density_atomic": 0.07334392316238238,
"volume": 136.34394737598296,
"volume_molar": 8.21082442872202,
"formula_full": "Ba2 Zn1 Os1 O6",
"formula_reduced": "Ba2ZnOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.986911834,
"spacegroup": 225
},
{
"id": "jvasp-98982",
"created_at": "2022-09-04T14:35:47.597211Z",
"updated_at": "2022-09-04T14:35:47.597231Z",
"structure_string": "Ba8 Zn4 O12\n1.0\n5.863206 -0.000000 0.361740\n2.931604 5.755350 0.180870\n-0.024339 0.000000 12.717259\nBa Zn O\n8 4 12\ndirect\n0.862681 0.791962 0.424994 Ba\n0.137319 0.208037 0.575006 Ba\n0.654642 0.208037 0.924994 Ba\n0.562351 0.410365 0.347471 Ba\n0.972716 0.589635 0.847471 Ba\n0.437649 0.589635 0.652530 Ba\n0.027284 0.410365 0.152530 Ba\n0.345358 0.791962 0.075006 Ba\n0.726191 0.004125 0.163621 Zn\n0.273809 0.995875 0.836379 Zn\n0.269685 0.004125 0.336379 Zn\n0.730315 0.995875 0.663621 Zn\n0.131881 0.197285 0.965342 O\n0.856408 0.657179 0.633149 O\n0.486413 0.657179 0.866851 O\n0.143592 0.342821 0.366851 O\n0.404546 0.190910 0.750000 O\n0.996289 0.007424 0.250000 O\n0.003711 0.992576 0.750000 O\n0.329164 0.802715 0.465342 O\n0.868119 0.802715 0.034658 O\n0.670836 0.197285 0.534658 O\n0.513587 0.342821 0.133149 O\n0.595454 0.809090 0.250000 O\n",
"nsites": 24,
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"elements": [
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"Zn",
"O"
],
"chemical_system": "Ba-O-Zn",
"density": 6.0056168928875575,
"density_atomic": 0.05591902044126207,
"volume": 429.1920675758234,
"volume_molar": 10.76939601673767,
"formula_full": "Ba8 Zn4 O12",
"formula_reduced": "Ba2ZnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5580471616666668,
"spacegroup": 15
},
{
"id": "jvasp-2949",
"created_at": "2022-09-04T14:36:50.384586Z",
"updated_at": "2022-09-04T14:36:50.384606Z",
"structure_string": "Ba2 Zn1 N2\n1.0\n4.006013 0.000000 -1.214143\n-0.367983 3.989077 -1.214143\n-0.017365 -0.019040 7.158613\nBa Zn N\n2 1 2\ndirect\n0.654683 0.654684 0.309368 Ba\n0.345316 0.345317 0.690632 Ba\n0.000000 0.000000 0.000000 Zn\n0.858479 0.858480 0.716960 N\n0.141520 0.141520 0.283040 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"N"
],
"chemical_system": "Ba-N-Zn",
"density": 5.351519899023403,
"density_atomic": 0.043778419538711394,
"volume": 114.21152368414563,
"volume_molar": 13.755957440799975,
"formula_full": "Ba2 Zn1 N2",
"formula_reduced": "Ba2ZnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6345197679999997,
"spacegroup": 139
},
{
"id": "jvasp-99546",
"created_at": "2022-09-04T14:36:42.334142Z",
"updated_at": "2022-09-04T14:36:42.334156Z",
"structure_string": "Ba2 Zn1 Mo1 O6\n1.0\n5.005861 -0.000000 2.890135\n1.668620 4.719571 2.890135\n-0.000000 -0.000000 5.780271\nBa Zn Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750001 Ba\n0.500000 0.500000 0.500001 Zn\n0.000000 0.000000 0.000000 Mo\n0.762744 0.237256 0.237257 O\n0.237256 0.762744 0.762745 O\n0.237256 0.762744 0.237257 O\n0.762744 0.237256 0.762745 O\n0.237256 0.237256 0.762745 O\n0.762744 0.762744 0.237257 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Zn",
"density": 6.468904350388855,
"density_atomic": 0.07322687314023407,
"volume": 136.56188733949313,
"volume_molar": 8.223949080096896,
"formula_full": "Ba2 Zn1 Mo1 O6",
"formula_reduced": "Ba2ZnMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.944211924,
"spacegroup": 225
},
{
"id": "jvasp-65534",
"created_at": "2022-09-04T14:35:50.003443Z",
"updated_at": "2022-09-04T14:35:50.003474Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n0.000000 4.178262 4.178262\n4.178262 -0.000000 4.178262\n4.178262 4.178262 0.000000\nBa Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
"Ba",
"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 5.177616641104836,
"density_atomic": 0.027418455573943065,
"volume": 145.88713756005177,
"volume_molar": 21.96382193650287,
"formula_full": "Ba2 Zn1 In1",
"formula_reduced": "Ba2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.006485,
"spacegroup": 225
},
{
"id": "jvasp-104559",
"created_at": "2022-09-04T14:36:52.325900Z",
"updated_at": "2022-09-04T14:36:52.325925Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n5.116918 -0.000000 2.954254\n1.705639 4.824276 2.954254\n-0.000000 -0.000000 5.908507\nBa Zn In\n2 1 1\ndirect\n0.750000 0.750001 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 5.17879281400149,
"density_atomic": 0.02742468408535083,
"volume": 145.85400464600576,
"volume_molar": 21.958833659698517,
"formula_full": "Ba2 Zn1 In1",
"formula_reduced": "Ba2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97532",
"created_at": "2022-09-04T14:35:44.359429Z",
"updated_at": "2022-09-04T14:35:44.359453Z",
"structure_string": "Ba4 Zn2 H12 O12\n1.0\n6.557615 0.000000 -0.597324\n0.000000 5.737722 0.000000\n-0.918860 0.000000 9.848841\nBa Zn H O\n4 2 12 12\ndirect\n0.043701 0.502808 0.280714 Ba\n0.543700 -0.002809 0.780715 Ba\n-0.043701 0.497191 0.719285 Ba\n0.456299 0.002809 0.219286 Ba\n0.500000 0.500000 0.000000 Zn\n-0.000000 0.000000 0.500000 Zn\n0.754351 0.813031 0.106076 H\n0.254352 0.686968 0.606076 H\n0.245648 0.186969 0.893924 H\n0.037705 0.783882 0.988672 H\n0.537705 0.716117 0.488673 H\n0.745648 0.313031 0.393925 H\n0.462294 0.283882 0.511328 H\n-0.135091 0.288473 -0.002441 H\n0.364909 0.211527 0.497559 H\n0.135091 0.711526 0.002441 H\n0.635091 0.788473 0.502441 H\n-0.037705 0.216117 0.011328 H\n0.846330 0.290023 0.479987 O\n0.346330 0.209977 -0.020013 O\n0.581725 0.484198 0.774593 O\n0.081725 0.015802 0.274593 O\n0.418275 0.515802 0.225408 O\n0.629925 0.417398 0.216937 O\n0.129926 0.082601 0.716937 O\n0.870074 0.917398 0.283063 O\n0.370074 0.582601 0.783063 O\n0.653669 0.790023 0.020013 O\n-0.081725 -0.015802 0.725407 O\n0.153670 0.709977 0.520013 O\n",
"nsites": 30,
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"elements": [
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"Zn",
"H",
"O"
],
"chemical_system": "Ba-H-O-Zn",
"density": 3.9961564632692257,
"density_atomic": 0.08165019288917297,
"volume": 367.42105484943784,
"volume_molar": 7.375537701636651,
"formula_full": "Ba4 Zn2 H12 O12",
"formula_reduced": "Ba2Zn(HO)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.2289688893333333,
"spacegroup": 14
},
{
"id": "jvasp-101389",
"created_at": "2022-09-04T14:36:43.834025Z",
"updated_at": "2022-09-04T14:36:43.834043Z",
"structure_string": "Ba2 Zn1 Hg1\n1.0\n5.051442 0.000000 2.916451\n1.683814 4.762546 2.916451\n-0.000000 0.000000 5.832903\nBa Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Hg-Zn",
"density": 6.3977668029146635,
"density_atomic": 0.02850497620479074,
"volume": 140.3263756918251,
"volume_molar": 21.126629668920327,
"formula_full": "Ba2 Zn1 Hg1",
"formula_reduced": "Ba2ZnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-95315",
"created_at": "2022-09-04T14:36:31.781487Z",
"updated_at": "2022-09-04T14:36:31.781513Z",
"structure_string": "Ba4 Zn2 Ge4 S12 O2\n1.0\n6.473506 0.000000 0.000000\n0.000000 9.688328 0.000000\n0.000000 0.000000 9.688328\nBa Zn Ge S O\n4 2 4 12 2\ndirect\n0.500110 0.158927 0.658927 Ba\n0.499890 0.341073 0.158927 Ba\n0.500110 0.841073 0.341073 Ba\n0.499890 0.658927 0.841073 Ba\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.069589 0.873698 0.626302 Ge\n0.069589 0.126302 0.373698 Ge\n0.930412 0.373698 0.873698 Ge\n0.930412 0.626302 0.126302 Ge\n0.265377 0.634862 0.134862 S\n0.734624 0.134862 0.365138 S\n0.734624 0.865139 0.634862 S\n0.230026 0.322582 0.437131 S\n0.769975 0.437131 0.677419 S\n0.769975 0.562869 0.322582 S\n0.230026 0.677419 0.562869 S\n0.769975 0.822582 0.062869 S\n0.769975 0.177419 0.937131 S\n0.230026 0.062869 0.177419 S\n0.230026 0.937131 0.822582 S\n0.265377 0.365138 0.865139 S\n0.183167 0.000000 0.500000 O\n0.816833 0.500000 0.000000 O\n",
"nsites": 24,
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"elements": [
"Ba",
"Zn",
"Ge",
"S",
"O"
],
"chemical_system": "Ba-Ge-O-S-Zn",
"density": 3.79169896030418,
"density_atomic": 0.03949790126519404,
"volume": 607.6272214784498,
"volume_molar": 15.246736072295498,
"formula_full": "Ba4 Zn2 Ge4 S12 O2",
"formula_reduced": "Ba2ZnGe2S6O",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 1.2393839783333334,
"spacegroup": 113
}
]
}