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{
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"results": [
{
"id": "jvasp-12017",
"created_at": "2022-09-04T14:36:33.557384Z",
"updated_at": "2022-09-04T14:36:33.557402Z",
"structure_string": "Nb2 Br4 O2\n1.0\n3.779407 0.000035 -1.067599\n-0.506777 6.824434 -1.793937\n0.009117 -0.028379 7.254380\nNb Br O\n2 4 2\ndirect\n0.012465 0.714940 0.999222 Nb\n0.013243 0.285055 0.000773 Nb\n0.916846 0.930999 0.733674 Br\n0.888421 0.415333 0.686459 Br\n0.201903 0.584669 0.313540 Br\n0.183123 0.068999 0.266326 Br\n0.537191 0.721235 0.997581 O\n0.539609 0.278766 0.002422 O\n",
"nsites": 8,
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"formula_full": "Nb2 Br4 O2",
"formula_reduced": "NbBr2O",
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"spacegroup": 5
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{
"id": "jvasp-90822",
"created_at": "2022-09-04T14:35:46.808590Z",
"updated_at": "2022-09-04T14:35:46.808616Z",
"structure_string": "Tl6 Ir2\n1.0\n5.718129 0.000000 -0.000000\n0.000000 5.718129 -0.000000\n-0.000000 0.000000 5.718129\nTl Ir\n6 2\ndirect\n0.000000 0.500000 0.750000 Tl\n0.500000 0.250000 0.000000 Tl\n0.750000 0.000000 0.500000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.750000 0.000000 Tl\n0.250000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
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"elements": [
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"volume": 186.96565968524988,
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"formula_full": "Tl6 Ir2",
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},
{
"id": "jvasp-114351",
"created_at": "2022-09-04T14:38:40.861115Z",
"updated_at": "2022-09-04T14:38:40.861140Z",
"structure_string": "Na1 Mg1 O1\n1.0\n7.376019 0.727556 0.000000\n1.554336 2.680735 0.000000\n0.000000 0.000000 3.760892\nNa Mg O\n1 1 1\ndirect\n0.353708 0.229648 0.000000 Na\n-0.102987 -0.127689 0.000000 Mg\n0.076347 0.121266 0.000000 O\n",
"nsites": 3,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Na-O",
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"density_atomic": 0.04278891070113921,
"volume": 70.11162356886379,
"volume_molar": 14.07406886812771,
"formula_full": "Na1 Mg1 O1",
"formula_reduced": "NaMgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-16471",
"created_at": "2022-09-04T14:37:38.209236Z",
"updated_at": "2022-09-04T14:37:38.209261Z",
"structure_string": "Dy2 Cd6\n1.0\n4.875936 -0.000000 -0.000000\n0.000000 5.922240 -2.690168\n0.000000 -0.065866 6.504275\nDy Cd\n2 6\ndirect\n0.750001 0.359480 0.640520 Dy\n0.250000 0.640520 0.359480 Dy\n0.750001 0.825662 0.174338 Cd\n0.250000 0.174337 0.825663 Cd\n0.750001 0.313013 0.128743 Cd\n0.250000 0.686987 0.871257 Cd\n0.250000 0.128743 0.313013 Cd\n0.750001 0.871256 0.686987 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Dy",
"density": 8.877211798500387,
"density_atomic": 0.042790705457015375,
"volume": 186.95648773625044,
"volume_molar": 14.073478564286424,
"formula_full": "Dy2 Cd6",
"formula_reduced": "DyCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-116685",
"created_at": "2022-09-04T14:38:33.017000Z",
"updated_at": "2022-09-04T14:38:33.017026Z",
"structure_string": "La6 Mg1 Si2 S14\n1.0\n10.372681 -0.000000 0.000000\n-5.186341 8.983005 0.000000\n-0.000000 -0.000000 5.768402\nLa Mg Si S\n6 1 2 14\ndirect\n0.642394 0.764808 0.754618 La\n0.122414 0.357606 0.754618 La\n0.235191 0.877585 0.754618 La\n0.357532 0.233706 0.245794 La\n0.876173 0.642467 0.245794 La\n0.766294 0.123826 0.245794 La\n0.000000 0.000000 0.510928 Mg\n0.333333 0.666666 0.171393 Si\n0.666667 0.333333 0.661610 Si\n0.524634 0.114272 0.522554 S\n0.114850 0.590791 0.029616 S\n0.409208 0.524059 0.029616 S\n0.475940 0.885149 0.029616 S\n0.837484 0.081806 0.751954 S\n0.918194 0.755677 0.751954 S\n0.755193 0.839621 0.272450 S\n0.160378 0.915571 0.272450 S\n0.084429 0.244807 0.272450 S\n0.589638 0.475365 0.522554 S\n0.666667 0.333333 0.027659 S\n0.333333 0.666666 0.536539 S\n0.244322 0.162515 0.751954 S\n0.885727 0.410362 0.522554 S\n",
"nsites": 23,
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"elements": [
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"Mg",
"Si",
"S"
],
"chemical_system": "La-Mg-S-Si",
"density": 4.21035812638439,
"density_atomic": 0.042791711212555435,
"volume": 537.4872691057892,
"volume_molar": 14.073147788100268,
"formula_full": "La6 Mg1 Si2 S14",
"formula_reduced": "La6Mg(SiS7)2",
"formula_anonymous": "AB2C6D14",
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},
{
"id": "jvasp-24321",
"created_at": "2022-09-04T14:37:36.167222Z",
"updated_at": "2022-09-04T14:37:36.167240Z",
"structure_string": "Na2 P2 Pd2 S8\n1.0\n6.452113 -0.000000 -3.309230\n-1.697273 6.224871 -3.309230\n0.060092 0.078670 8.061726\nNa P Pd S\n2 2 2 8\ndirect\n0.750000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.500000 0.000000 -0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.706028 0.206028 0.717619 S\n0.988410 0.488410 0.282381 S\n0.206028 0.011590 0.717620 S\n0.511590 0.706028 0.717619 S\n0.293972 0.793972 0.282381 S\n0.793972 0.988410 0.282381 S\n0.488410 0.293972 0.282381 S\n0.011590 0.511590 0.717620 S\n",
"nsites": 14,
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"elements": [
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"P",
"Pd",
"S"
],
"chemical_system": "Na-P-Pd-S",
"density": 2.9302033978003124,
"density_atomic": 0.04279419695075354,
"volume": 327.14716007197984,
"volume_molar": 14.072330337055101,
"formula_full": "Na2 P2 Pd2 S8",
"formula_reduced": "NaPPdS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7916514571428572,
"spacegroup": 140
},
{
"id": "jvasp-99393",
"created_at": "2022-09-04T14:36:32.751693Z",
"updated_at": "2022-09-04T14:36:32.751726Z",
"structure_string": "Y2 Ga1 Ag1\n1.0\n4.411553 -0.000000 2.547012\n1.470518 4.159252 2.547012\n-0.000000 -0.000000 5.094023\nY Ga Ag\n2 1 1\ndirect\n0.750000 0.750000 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
"Y",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Y",
"density": 6.313968747045058,
"density_atomic": 0.042794933369520984,
"volume": 93.46900871328015,
"volume_molar": 14.072088179225988,
"formula_full": "Y2 Ga1 Ag1",
"formula_reduced": "Y2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.14406012125,
"spacegroup": 225
},
{
"id": "jvasp-2658",
"created_at": "2022-09-04T14:36:39.763337Z",
"updated_at": "2022-09-04T14:36:39.763373Z",
"structure_string": "Rb2 Sn2 O3\n1.0\n5.293205 -0.043753 3.054198\n1.743225 4.998110 3.054198\n-0.062139 -0.043753 6.110834\nRb Sn O\n2 2 3\ndirect\n0.500000 0.500001 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.238637 0.238637 0.238637 Sn\n0.761363 0.761364 0.761363 Sn\n0.000000 0.500000 -0.000000 O\n-0.000000 0.000000 0.500000 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 7,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "O-Rb-Sn",
"density": 4.6329601686589275,
"density_atomic": 0.04279626201544813,
"volume": 163.5656870563419,
"volume_molar": 14.071651299420013,
"formula_full": "Rb2 Sn2 O3",
"formula_reduced": "Rb2Sn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.7815548428571428,
"spacegroup": 166
},
{
"id": "jvasp-115904",
"created_at": "2022-09-04T14:38:40.694762Z",
"updated_at": "2022-09-04T14:38:40.694788Z",
"structure_string": "P2 Cl2\n1.0\n5.134693 0.512104 1.041196\n-1.466403 -7.491347 0.006917\n-1.744000 -1.332978 -2.783842\nP Cl\n2 2\ndirect\n0.038629 0.261203 0.071319 P\n0.651906 0.281103 0.165531 P\n0.089419 0.953521 0.429185 Cl\n0.601123 0.588786 0.807573 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-P",
"density": 2.360324018910397,
"density_atomic": 0.04279661708032506,
"volume": 93.4653314417911,
"volume_molar": 14.07153455306299,
"formula_full": "P2 Cl2",
"formula_reduced": "PCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.8340897837499999,
"spacegroup": 11
},
{
"id": "jvasp-109806",
"created_at": "2022-09-04T14:38:14.139940Z",
"updated_at": "2022-09-04T14:38:14.139973Z",
"structure_string": "Ba2 Na2 N2\n1.0\n4.086741 0.000000 0.000000\n-2.043370 3.539224 0.000000\n0.000000 0.000000 9.692415\nBa Na N\n2 2 2\ndirect\n-0.000000 0.000001 0.497362 Ba\n-0.000001 0.999998 -0.002637 Ba\n0.666666 0.333333 0.722858 Na\n0.333333 0.666666 0.222859 Na\n0.333333 0.666666 0.624418 N\n0.666666 0.333333 0.124419 N\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.1296931876738325,
"density_atomic": 0.04279904556127243,
"volume": 140.19004212162196,
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"formula_reduced": "BaNaN",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-78456",
"created_at": "2022-09-04T14:37:17.911159Z",
"updated_at": "2022-09-04T14:37:17.911191Z",
"structure_string": "U1 Cd1\n1.0\n-1.471264 -2.548305 0.000000\n1.471264 -2.548305 0.000000\n0.000000 -1.698870 6.231866\nU Cd\n1 1\ndirect\n0.688705 0.688705 0.933886 U\n0.866297 0.866297 0.401114 Cd\n",
"nsites": 2,
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"elements": [
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],
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"density": 12.452958497921255,
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"volume": 46.72939054184806,
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"formula_full": "U1 Cd1",
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{
"id": "jvasp-71215",
"created_at": "2022-09-04T14:35:57.840557Z",
"updated_at": "2022-09-04T14:35:57.840575Z",
"structure_string": "Be1 Ga1 Sb2\n1.0\n3.638494 -0.000000 -0.000000\n-0.000000 3.638494 0.000000\n0.000000 0.000000 7.059102\nBe Ga Sb\n1 1 2\ndirect\n0.000000 -0.000000 0.525270 Be\n0.500000 0.500000 0.729338 Ga\n0.000000 -0.000000 0.893587 Sb\n0.500000 0.500000 0.351804 Sb\n",
"nsites": 4,
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"formula_full": "Be1 Ga1 Sb2",
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}
]
}