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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4617",
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{
"id": "jvasp-54980",
"created_at": "2022-09-04T14:38:34.164807Z",
"updated_at": "2022-09-04T14:38:34.164834Z",
"structure_string": "K4 Sn2 Cl12\n1.0\n0.000000 7.015815 -0.002433\n7.077218 0.000000 0.000000\n0.000000 -6.934034 -9.977637\nK Sn Cl\n4 2 12\ndirect\n0.736389 0.545342 0.748285 K\n0.263611 0.454659 0.251715 K\n0.736389 0.954659 0.248285 K\n0.263611 0.045342 0.751715 K\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.229838 0.717825 0.025283 Cl\n0.186952 0.001271 0.244474 Cl\n0.311947 0.206534 0.030840 Cl\n0.813048 0.998729 0.755525 Cl\n0.311947 0.293466 0.530840 Cl\n0.770161 0.217825 0.474717 Cl\n0.229839 0.782176 0.525283 Cl\n0.186952 0.498729 0.744475 Cl\n0.688053 0.793466 0.969160 Cl\n0.770162 0.282175 0.974717 Cl\n0.688053 0.706534 0.469160 Cl\n0.813048 0.501271 0.255525 Cl\n",
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"formula_full": "K4 Sn2 Cl12",
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{
"id": "jvasp-17301",
"created_at": "2022-09-04T14:38:32.232585Z",
"updated_at": "2022-09-04T14:38:32.232616Z",
"structure_string": "Sr4 Sb2\n1.0\n4.820691 -0.000000 -1.331517\n-0.367776 4.806641 -1.331517\n0.046985 0.050718 9.562407\nSr Sb\n4 2\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.322189 0.322188 0.644377 Sr\n0.677811 0.677812 0.355623 Sr\n0.135041 0.135041 0.270082 Sb\n0.864959 0.864959 0.729918 Sb\n",
"nsites": 6,
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"elements": [
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"density": 4.438569545440939,
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"volume": 222.22479460157078,
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"formula_full": "Sr4 Sb2",
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"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-17303",
"created_at": "2022-09-04T14:38:31.907932Z",
"updated_at": "2022-09-04T14:38:31.907958Z",
"structure_string": "Cd1 Rh1 F6\n1.0\n4.575288 0.016452 3.360822\n1.710412 4.243586 3.360822\n0.024275 0.016453 5.676953\nCd Rh F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Rh\n0.395121 0.057494 0.780021 F\n0.057494 0.780022 0.395119 F\n0.219979 0.604880 0.942504 F\n0.942507 0.219978 0.604879 F\n0.604880 0.942506 0.219977 F\n0.780022 0.395120 0.057494 F\n",
"nsites": 8,
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"elements": [
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"Rh",
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],
"chemical_system": "Cd-F-Rh",
"density": 4.991183791370379,
"density_atomic": 0.07302029713574305,
"volume": 109.55857910476843,
"volume_molar": 8.247214810431378,
"formula_full": "Cd1 Rh1 F6",
"formula_reduced": "CdRhF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-109679",
"created_at": "2022-09-04T14:38:27.640108Z",
"updated_at": "2022-09-04T14:38:27.640144Z",
"structure_string": "Te1 I4\n1.0\n7.573108 0.050663 2.209264\n6.327580 4.161281 2.209264\n-0.830926 -0.251773 6.394863\nTe I\n1 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.157525 0.157525 0.219819 I\n0.589047 0.589047 0.697423 I\n0.842475 0.842474 0.780179 I\n0.410952 0.410952 0.302575 I\n",
"nsites": 5,
"nelements": 2,
"elements": [
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"I"
],
"chemical_system": "I-Te",
"density": 5.078121603620699,
"density_atomic": 0.024071396655246043,
"volume": 207.71540893994268,
"volume_molar": 25.017828613145944,
"formula_full": "Te1 I4",
"formula_reduced": "TeI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-20835",
"created_at": "2022-09-04T14:38:32.253354Z",
"updated_at": "2022-09-04T14:38:32.253381Z",
"structure_string": "K2 Si1 F6\n1.0\n4.915705 -0.000000 2.838084\n1.638569 4.634571 2.838084\n-0.000000 -0.000000 5.676167\nK Si F\n2 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Si\n0.214155 0.785844 0.785844 F\n0.214155 0.785844 0.214155 F\n0.785844 0.214155 0.785845 F\n0.785844 0.214155 0.214155 F\n0.785844 0.785844 0.214155 F\n0.214155 0.214155 0.785845 F\n",
"nsites": 9,
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"elements": [
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"Si",
"F"
],
"chemical_system": "F-K-Si",
"density": 2.8285176932016998,
"density_atomic": 0.06959723610791602,
"volume": 129.31548008666306,
"volume_molar": 8.652844705876245,
"formula_full": "K2 Si1 F6",
"formula_reduced": "K2SiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110669",
"created_at": "2022-09-04T14:38:37.234542Z",
"updated_at": "2022-09-04T14:38:37.234559Z",
"structure_string": "K3 Cr1 F6\n1.0\n5.348888 -0.000000 3.088182\n1.782963 5.042980 3.088182\n-0.000000 -0.000000 6.176364\nK Cr F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Cr\n0.780579 0.219421 0.219421 F\n0.219421 0.780579 0.780578 F\n0.219421 0.780579 0.219421 F\n0.780579 0.219421 0.780578 F\n0.219421 0.219421 0.780578 F\n0.780579 0.780579 0.219421 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.8234724463679943,
"density_atomic": 0.060022816031859286,
"volume": 166.60331289175332,
"volume_molar": 10.033086013164612,
"formula_full": "K3 Cr1 F6",
"formula_reduced": "K3CrF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36969",
"created_at": "2022-09-04T14:38:34.199750Z",
"updated_at": "2022-09-04T14:38:34.199777Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.492793 -0.055255 3.575430\n2.087553 6.148295 3.575430\n-0.077811 -0.055255 7.411748\nTl Ag Br\n2 2 6\ndirect\n0.255485 0.255486 0.255485 Tl\n0.755484 0.755487 0.755485 Tl\n0.005763 0.005763 0.005763 Ag\n0.505762 0.505764 0.505763 Ag\n0.255718 0.812323 0.699211 Br\n0.812321 0.699212 0.255718 Br\n0.699210 0.255720 0.812322 Br\n0.199211 0.312323 0.755718 Br\n0.755718 0.199212 0.312322 Br\n0.312321 0.755719 0.199211 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Tl",
"density": 6.124155568107286,
"density_atomic": 0.03340848342329245,
"volume": 299.3251705950825,
"volume_molar": 18.025783103345997,
"formula_full": "Tl2 Ag2 Br6",
"formula_reduced": "TlAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-56604",
"created_at": "2022-09-04T14:38:35.165359Z",
"updated_at": "2022-09-04T14:38:35.165387Z",
"structure_string": "Ba4 Au4\n1.0\n5.086259 -0.000000 0.000000\n-0.000000 6.387087 0.000000\n0.000000 0.000000 8.270109\nBa Au\n4 4\ndirect\n0.250000 0.855448 0.686733 Ba\n0.250000 0.644552 0.186733 Ba\n0.750000 0.144552 0.313267 Ba\n0.750000 0.355448 0.813267 Ba\n0.250000 0.351676 0.539921 Au\n0.750000 0.851676 0.960080 Au\n0.250000 0.148325 0.039921 Au\n0.750000 0.648325 0.460079 Au\n",
"nsites": 8,
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"elements": [
"Ba",
"Au"
],
"chemical_system": "Au-Ba",
"density": 8.264652047615506,
"density_atomic": 0.02977676066533159,
"volume": 268.6658931746803,
"volume_molar": 20.224297826363102,
"formula_full": "Ba4 Au4",
"formula_reduced": "BaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-40256",
"created_at": "2022-09-04T14:38:32.305384Z",
"updated_at": "2022-09-04T14:38:32.305410Z",
"structure_string": "Sm2 Ga6\n1.0\n3.205904 -5.552788 -0.000000\n3.205904 5.552788 0.000000\n-0.000000 0.000000 4.524085\nSm Ga\n2 6\ndirect\n0.333332 0.666666 0.749999 Sm\n0.666666 0.333332 0.250000 Sm\n0.709259 0.854629 0.250000 Ga\n0.145370 0.854629 0.250000 Ga\n0.145370 0.290740 0.250000 Ga\n0.290740 0.145370 0.749999 Ga\n0.854629 0.145370 0.749999 Ga\n0.854629 0.709259 0.749999 Ga\n",
"nsites": 8,
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"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.412943022285414,
"density_atomic": 0.049666965770761,
"volume": 161.07285548555916,
"volume_molar": 12.125042604364692,
"formula_full": "Sm2 Ga6",
"formula_reduced": "SmGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-12473",
"created_at": "2022-09-04T14:38:32.311168Z",
"updated_at": "2022-09-04T14:38:32.311192Z",
"structure_string": "Pb4 Br4 Cl4\n1.0\n4.602543 0.000000 0.000000\n0.000000 7.809562 0.000000\n0.000000 0.000000 9.250005\nPb Br Cl\n4 4 4\ndirect\n0.250000 0.251740 0.604079 Pb\n0.750000 0.748260 0.395920 Pb\n0.250000 0.751740 0.895920 Pb\n0.750000 0.248260 0.104080 Pb\n0.750000 0.972972 0.668164 Br\n0.250000 0.527027 0.168164 Br\n0.750000 0.472972 0.831835 Br\n0.250000 0.027027 0.331835 Br\n0.750000 0.858385 0.069583 Cl\n0.250000 0.641615 0.569583 Cl\n0.750000 0.358385 0.430417 Cl\n0.250000 0.141615 0.930416 Cl\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.443903984793506,
"density_atomic": 0.036092315640735076,
"volume": 332.4807451937601,
"volume_molar": 16.685382062887637,
"formula_full": "Pb4 Br4 Cl4",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-118242",
"created_at": "2022-09-04T14:38:31.908782Z",
"updated_at": "2022-09-04T14:38:31.908814Z",
"structure_string": "Sn2 I2 F2\n1.0\n4.178580 -0.000000 -0.000000\n-0.000000 4.178580 -0.000000\n0.000000 0.000000 8.788259\nSn I F\n2 2 2\ndirect\n0.500000 0.000000 0.837993 Sn\n0.000000 0.500000 0.162008 Sn\n0.000000 0.500000 0.662843 I\n0.500000 0.000000 0.337157 I\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
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"density": 5.727034132234999,
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"spacegroup": 129
},
{
"id": "jvasp-109504",
"created_at": "2022-09-04T14:38:28.090583Z",
"updated_at": "2022-09-04T14:38:28.090609Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n4.541788 -0.000000 2.622203\n1.513929 4.282039 2.622203\n-0.000000 -0.000000 5.244405\nCa Ga Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 101.99378287092364,
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"formula_full": "Ca2 Ga1 Hg1",
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"formula_anonymous": "ABC2",
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}
]
}