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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3839",
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"results": [
{
"id": "jvasp-88745",
"created_at": "2022-09-04T14:36:19.450959Z",
"updated_at": "2022-09-04T14:36:19.450978Z",
"structure_string": "Tb12 S12 N4\n1.0\n3.843405 0.000000 0.000000\n-0.000000 11.963740 0.000000\n0.000000 0.000000 12.878831\nTb S N\n12 12 4\ndirect\n0.749999 0.931738 0.369037 Tb\n0.749999 0.431738 0.130963 Tb\n0.250000 0.568262 0.869037 Tb\n0.749999 0.286361 0.360390 Tb\n0.250000 0.713639 0.639610 Tb\n0.749999 0.786361 0.139610 Tb\n0.250000 0.213639 0.860389 Tb\n0.749999 0.452615 0.643196 Tb\n0.250000 0.547385 0.356804 Tb\n0.749999 0.952615 0.856804 Tb\n0.250000 0.047385 0.143196 Tb\n0.250000 0.068262 0.630962 Tb\n0.749999 0.907108 0.600308 S\n0.250000 0.274942 0.191710 S\n0.749999 0.725058 0.808290 S\n0.749999 0.134005 0.991513 S\n0.250000 0.865995 0.008486 S\n0.749999 0.634005 0.508486 S\n0.250000 0.365995 0.491513 S\n0.250000 0.592892 0.100308 S\n0.250000 0.092892 0.399692 S\n0.749999 0.407108 0.899692 S\n0.749999 0.225058 0.691710 S\n0.250000 0.774942 0.308290 S\n0.250000 0.535841 0.701832 N\n0.749999 0.964159 0.201832 N\n0.250000 0.035841 0.798168 N\n0.749999 0.464159 0.298168 N\n",
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"N"
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"volume": 592.1879436036165,
"volume_molar": 12.736568402699715,
"formula_full": "Tb12 S12 N4",
"formula_reduced": "Tb3S3N",
"formula_anonymous": "AB3C3",
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"spacegroup": 62
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{
"id": "jvasp-31680",
"created_at": "2022-09-04T14:37:17.284879Z",
"updated_at": "2022-09-04T14:37:17.284903Z",
"structure_string": "Tb12 Si4 Br12\n1.0\n9.433429 -0.000000 -3.335220\n-4.716714 8.169589 -3.335220\n-0.000000 -0.000000 10.005662\nTb Si Br\n12 4 12\ndirect\n0.478402 0.489201 0.239201 Tb\n0.239201 0.478401 0.489201 Tb\n0.489201 0.239201 0.478401 Tb\n0.239201 0.260799 0.750000 Tb\n0.750000 0.239201 0.260799 Tb\n0.750000 0.010799 0.489201 Tb\n0.260799 0.010799 0.021599 Tb\n0.260799 0.750000 0.239201 Tb\n0.010799 0.489201 0.750000 Tb\n0.010799 0.021599 0.260799 Tb\n0.021599 0.260799 0.010799 Tb\n0.489202 0.750000 0.010799 Tb\n0.500000 0.000000 0.250000 Si\n0.250000 0.250000 0.250000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.507237 0.757236 0.514471 Br\n0.742764 0.250000 0.757236 Br\n0.757237 0.742764 0.250000 Br\n0.514472 0.507236 0.757236 Br\n0.985529 0.742764 0.992764 Br\n0.742764 0.992764 0.985529 Br\n0.757237 0.514471 0.507236 Br\n0.507236 0.250000 0.992764 Br\n0.992764 0.507236 0.250000 Br\n0.250000 0.757236 0.742764 Br\n0.250001 0.992764 0.507236 Br\n0.992764 0.985529 0.742764 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Br"
],
"chemical_system": "Br-Si-Tb",
"density": 6.413588203322259,
"density_atomic": 0.03631135119599767,
"volume": 771.1087326071809,
"volume_molar": 16.584733317948732,
"formula_full": "Tb12 Si4 Br12",
"formula_reduced": "Tb3SiBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.9609437307142856,
"spacegroup": 214
},
{
"id": "jvasp-56548",
"created_at": "2022-09-04T14:38:35.555323Z",
"updated_at": "2022-09-04T14:38:35.555361Z",
"structure_string": "Tb16 Cd4 Co4\n1.0\n8.184293 -0.000000 4.725203\n2.728098 7.716224 4.725203\n0.000000 0.000000 9.450407\nTb Cd Co\n16 4 4\ndirect\n0.188528 0.811472 0.188528 Tb\n0.188528 0.811472 0.811472 Tb\n0.937836 0.562164 0.937836 Tb\n0.346686 0.959943 0.346685 Tb\n0.562164 0.937835 0.937836 Tb\n0.937836 0.937835 0.562164 Tb\n0.346686 0.346685 0.959943 Tb\n0.562164 0.937835 0.562164 Tb\n0.188528 0.188528 0.811472 Tb\n0.811472 0.188528 0.188528 Tb\n0.937836 0.562164 0.562164 Tb\n0.811472 0.811472 0.188528 Tb\n0.811472 0.188528 0.811472 Tb\n0.562164 0.562164 0.937836 Tb\n0.346686 0.346685 0.346686 Tb\n0.959943 0.346685 0.346685 Tb\n0.580946 0.257160 0.580946 Cd\n0.580946 0.580946 0.580946 Cd\n0.580946 0.580946 0.257160 Cd\n0.257161 0.580946 0.580946 Cd\n0.577202 0.140933 0.140933 Co\n0.140933 0.140933 0.140933 Co\n0.140933 0.140933 0.577202 Co\n0.140933 0.577202 0.140933 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Cd",
"Co"
],
"chemical_system": "Cd-Co-Tb",
"density": 8.981950391965833,
"density_atomic": 0.04021376480850351,
"volume": 596.8105725561168,
"volume_molar": 14.975321979121366,
"formula_full": "Tb16 Cd4 Co4",
"formula_reduced": "Tb4CdCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2662273749999997,
"spacegroup": 216
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{
"id": "jvasp-76237",
"created_at": "2022-09-04T14:37:02.914537Z",
"updated_at": "2022-09-04T14:37:02.914550Z",
"structure_string": "Tb16 Cd4 Rh4\n1.0\n8.299929 0.000000 4.791966\n2.766643 7.825249 4.791966\n-0.000000 0.000000 9.583932\nTb Cd Rh\n16 4 4\ndirect\n0.949896 0.350034 0.350035 Tb\n0.189384 0.810615 0.810615 Tb\n0.563987 0.936013 0.936013 Tb\n0.936013 0.563987 0.563988 Tb\n0.810615 0.189384 0.189385 Tb\n0.936012 0.936013 0.563988 Tb\n0.350034 0.350034 0.350035 Tb\n0.189384 0.810615 0.189385 Tb\n0.350034 0.350034 0.949896 Tb\n0.810615 0.810615 0.189385 Tb\n0.810615 0.189384 0.810615 Tb\n0.563987 0.563987 0.936013 Tb\n0.189384 0.189384 0.810615 Tb\n0.936013 0.563987 0.936013 Tb\n0.563987 0.936013 0.563988 Tb\n0.350034 0.949896 0.350035 Tb\n0.255114 0.581629 0.581629 Cd\n0.581628 0.581629 0.581629 Cd\n0.581628 0.581629 0.255115 Cd\n0.581628 0.255115 0.581629 Cd\n0.142492 0.572525 0.142492 Rh\n0.142492 0.142492 0.572525 Rh\n0.142492 0.142492 0.142492 Rh\n0.572525 0.142492 0.142492 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Tb",
"density": 9.080954864501303,
"density_atomic": 0.03855626664125313,
"volume": 622.4669059198094,
"volume_molar": 15.619097191211539,
"formula_full": "Tb16 Cd4 Rh4",
"formula_reduced": "Tb4CdRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.155696058333333,
"spacegroup": 216
},
{
"id": "jvasp-55221",
"created_at": "2022-09-04T14:38:35.891306Z",
"updated_at": "2022-09-04T14:38:35.891341Z",
"structure_string": "Tb16 In4 Rh4\n1.0\n8.339008 -0.000000 4.814529\n2.779670 7.862092 4.814529\n-0.000000 -0.000000 9.629058\nTb In Rh\n16 4 4\ndirect\n0.810209 0.189791 0.810209 Tb\n0.437834 0.437834 0.062166 Tb\n0.810209 0.189791 0.189791 Tb\n0.650191 0.049427 0.650191 Tb\n0.437834 0.062166 0.062166 Tb\n0.062166 0.062166 0.437834 Tb\n0.650191 0.650191 0.049427 Tb\n0.810209 0.810209 0.189791 Tb\n0.062166 0.437834 0.437834 Tb\n0.650191 0.650191 0.650191 Tb\n0.437834 0.062166 0.437834 Tb\n0.062166 0.437834 0.062166 Tb\n0.049427 0.650191 0.650191 Tb\n0.189791 0.810209 0.189791 Tb\n0.189791 0.810209 0.810209 Tb\n0.189791 0.189791 0.810209 Tb\n0.416912 0.416912 0.416912 In\n0.416912 0.749264 0.416912 In\n0.749264 0.416912 0.416912 In\n0.416912 0.416912 0.749264 In\n0.857641 0.427079 0.857641 Rh\n0.427080 0.857640 0.857641 Rh\n0.857641 0.857640 0.857641 Rh\n0.857641 0.857640 0.427080 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Tb",
"density": 8.979209077859139,
"density_atomic": 0.03801674476502223,
"volume": 631.3007636067118,
"volume_molar": 15.8407585847296,
"formula_full": "Tb16 In4 Rh4",
"formula_reduced": "Tb4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4071394283333336,
"spacegroup": 216
},
{
"id": "jvasp-76235",
"created_at": "2022-09-04T14:37:05.328896Z",
"updated_at": "2022-09-04T14:37:05.328929Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n8.390647 0.000000 4.844342\n2.796883 7.910778 4.844342\n-0.000000 0.000000 9.688685\nTb Mg Ir\n16 4 4\ndirect\n0.811952 0.811952 0.188048 Tb\n0.040562 0.653146 0.653146 Tb\n0.653146 0.040562 0.653146 Tb\n0.188048 0.811952 0.188048 Tb\n0.436438 0.436438 0.063562 Tb\n0.436438 0.063562 0.436438 Tb\n0.063562 0.436438 0.436438 Tb\n0.188048 0.811952 0.811951 Tb\n0.063562 0.063562 0.436438 Tb\n0.811952 0.188048 0.188048 Tb\n0.063562 0.436438 0.063562 Tb\n0.653146 0.653146 0.653146 Tb\n0.653146 0.653146 0.040562 Tb\n0.436438 0.063562 0.063562 Tb\n0.188048 0.188048 0.811951 Tb\n0.811952 0.188048 0.811951 Tb\n0.420209 0.739374 0.420208 Mg\n0.739374 0.420209 0.420208 Mg\n0.420209 0.420209 0.420208 Mg\n0.420209 0.420209 0.739373 Mg\n0.858576 0.858576 0.858575 Ir\n0.858576 0.424273 0.858575 Ir\n0.424273 0.858576 0.858576 Ir\n0.858576 0.858576 0.424273 Ir\n",
"nsites": 24,
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"elements": [
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"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Tb",
"density": 8.802034362882875,
"density_atomic": 0.0373191512408289,
"volume": 643.1014426111298,
"volume_molar": 16.136864209847023,
"formula_full": "Tb16 Mg4 Ir4",
"formula_reduced": "Tb4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6794656249999995,
"spacegroup": 216
},
{
"id": "jvasp-20116",
"created_at": "2022-09-04T14:38:40.003365Z",
"updated_at": "2022-09-04T14:38:40.003392Z",
"structure_string": "Tb16 O24\n1.0\n8.747893 0.000000 -3.092847\n-4.373947 7.575898 -3.092847\n-0.000000 -0.000000 9.278542\nTb O\n16 24\ndirect\n0.499982 0.499983 0.499982 Tb\n0.750000 0.782007 0.032006 Tb\n0.467993 0.250000 0.717993 Tb\n0.717993 0.467994 0.250000 Tb\n0.032006 0.750000 0.782006 Tb\n0.782006 0.032007 0.749999 Tb\n0.750000 0.282018 0.532018 Tb\n0.250000 0.717994 0.467993 Tb\n0.217982 0.967982 0.250000 Tb\n0.532018 0.750000 0.282018 Tb\n0.282018 0.532018 0.750000 Tb\n0.250000 0.217982 0.967981 Tb\n0.000017 0.500000 -0.000000 Tb\n0.500000 -0.000000 0.000017 Tb\n0.967981 0.250000 0.217981 Tb\n0.000000 0.000017 0.500000 Tb\n0.270550 0.739948 0.227988 O\n0.229449 0.457438 0.469397 O\n0.011960 0.042563 0.272012 O\n0.030603 0.488041 0.760052 O\n0.729469 0.260065 0.772031 O\n0.227988 0.270551 0.739947 O\n0.988033 0.957437 0.727967 O\n0.511967 0.239935 0.969404 O\n0.542563 0.530595 0.770530 O\n0.530595 0.770531 0.542563 O\n0.772031 0.729470 0.260064 O\n0.957436 0.727968 0.988032 O\n0.969404 0.511967 0.239934 O\n0.488040 0.760053 0.030603 O\n0.260065 0.772032 0.729469 O\n0.239935 0.969405 0.511966 O\n0.770530 0.542563 0.530595 O\n0.042563 0.272012 0.011960 O\n0.760052 0.030603 0.488040 O\n0.739947 0.227988 0.270550 O\n0.469397 0.229449 0.457437 O\n0.457437 0.469397 0.229449 O\n0.727968 0.988034 0.957436 O\n0.272012 0.011960 0.042562 O\n",
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"spacegroup": 206
},
{
"id": "jvasp-20744",
"created_at": "2022-09-04T14:37:36.664287Z",
"updated_at": "2022-09-04T14:37:36.664317Z",
"structure_string": "Tb1 Ag1\n1.0\n3.622295 -0.000000 -0.000000\n0.000000 3.622295 0.000000\n0.000000 0.000000 3.622295\nTb Ag\n1 1\ndirect\n0.500001 0.500001 0.500001 Tb\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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{
"id": "jvasp-20646",
"created_at": "2022-09-04T14:38:13.742578Z",
"updated_at": "2022-09-04T14:38:13.742597Z",
"structure_string": "Tb1 Ag1\n1.0\n3.622295 0.000000 0.000000\n-0.000000 3.622295 0.000000\n-0.000000 -0.000000 3.622295\nTb Ag\n1 1\ndirect\n0.500001 0.500001 0.500001 Tb\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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"formula_full": "Tb1 Ag1",
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{
"id": "jvasp-79088",
"created_at": "2022-09-04T14:37:11.766132Z",
"updated_at": "2022-09-04T14:37:11.766156Z",
"structure_string": "Tb1 Ag1 Hg2\n1.0\n0.000000 3.537806 3.537806\n3.537806 0.000000 3.537806\n3.537806 3.537806 0.000000\nTb Ag Hg\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Tb\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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],
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"volume": 88.5588642381064,
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"formula_full": "Tb1 Ag1 Hg2",
"formula_reduced": "TbAgHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-110157",
"created_at": "2022-09-04T14:38:03.392446Z",
"updated_at": "2022-09-04T14:38:03.392471Z",
"structure_string": "Tb1 Ag1 Sn2\n1.0\n4.655595 0.000000 0.000000\n0.000000 4.655595 0.000000\n0.000000 -0.000000 4.389901\nTb Ag Sn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.499999 -0.000000 Ag\n-0.000000 0.499999 0.500000 Sn\n0.499999 0.000000 0.500000 Sn\n",
"nsites": 4,
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"formula_full": "Tb1 Ag1 Sn2",
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"spacegroup": 123
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{
"id": "jvasp-18594",
"created_at": "2022-09-04T14:36:54.143570Z",
"updated_at": "2022-09-04T14:36:54.143583Z",
"structure_string": "Tb1 Ag2\n1.0\n3.503645 0.000000 -1.303827\n-0.485199 3.469887 -1.303827\n-0.020487 -0.023551 5.304360\nTb Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.330640 0.330641 0.661281 Ag\n0.669360 0.669360 0.338718 Ag\n",
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}
]
}