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{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
"updated_at": "2022-09-04T14:35:57.343828Z",
"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
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],
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"formula_full": "Mg6 Cd1 Fe1",
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{
"id": "jvasp-94234",
"created_at": "2022-09-04T14:36:01.242233Z",
"updated_at": "2022-09-04T14:36:01.242252Z",
"structure_string": "Mg6 Cr1 Fe1\n1.0\n6.005342 0.175595 0.000000\n-2.850601 4.937384 0.000000\n0.000000 0.000000 4.713766\nMg Cr Fe\n6 1 1\ndirect\n0.653900 0.327307 0.250000 Mg\n0.653900 0.826593 0.250000 Mg\n0.327792 0.164009 0.750001 Mg\n0.327792 0.663784 0.750001 Mg\n0.870940 0.185472 0.750001 Mg\n0.861819 0.680910 0.750001 Mg\n0.149377 0.824687 0.250000 Cr\n0.154480 0.327241 0.250000 Fe\n",
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"volume": 142.12584654626463,
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{
"id": "jvasp-94235",
"created_at": "2022-09-04T14:36:06.184906Z",
"updated_at": "2022-09-04T14:36:06.184917Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.120377 0.161971 0.000000\n-2.919917 5.057443 0.000000\n0.000000 0.000000 4.793286\nMg V Fe\n6 1 1\ndirect\n0.653503 0.327315 0.250000 Mg\n0.653502 0.826185 0.250000 Mg\n0.327864 0.163577 0.750001 Mg\n0.327864 0.664286 0.750001 Mg\n0.868646 0.184323 0.750001 Mg\n0.855183 0.677592 0.750001 Mg\n0.152113 0.826056 0.250000 V\n0.161323 0.330660 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"V",
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"density": 2.7847283662225326,
"density_atomic": 0.05310825288309287,
"volume": 150.6357216760715,
"volume_molar": 11.339368992718573,
"formula_full": "Mg6 V1 Fe1",
"formula_reduced": "Mg6VFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4314092499999999,
"spacegroup": 38
},
{
"id": "jvasp-94236",
"created_at": "2022-09-04T14:36:09.897195Z",
"updated_at": "2022-09-04T14:36:09.897216Z",
"structure_string": "Mg6 Fe1 C1\n1.0\n6.072016 -1.250959 0.000000\n-4.119371 7.134957 0.000000\n0.000000 0.000000 3.726017\nMg Fe C\n6 1 1\ndirect\n0.786665 0.394269 0.250000 Mg\n0.786666 0.892396 0.250000 Mg\n0.269124 0.063295 0.750001 Mg\n0.269124 0.705830 0.750001 Mg\n0.898562 0.199281 0.750001 Mg\n0.701522 0.600761 0.750001 Mg\n0.289489 0.394744 0.250000 Fe\n0.998854 0.749426 0.250000 C\n",
"nsites": 8,
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"elements": [
"Mg",
"Fe",
"C"
],
"chemical_system": "C-Fe-Mg",
"density": 2.494898682282697,
"density_atomic": 0.05624945815966951,
"volume": 142.2235922218349,
"volume_molar": 10.706131146909136,
"formula_full": "Mg6 Fe1 C1",
"formula_reduced": "Mg6FeC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6825924749999999,
"spacegroup": 38
},
{
"id": "jvasp-94237",
"created_at": "2022-09-04T14:36:13.465107Z",
"updated_at": "2022-09-04T14:36:13.465135Z",
"structure_string": "Mg6 Cr1 Fe1\n1.0\n6.057790 0.033571 0.000000\n-2.999823 5.262986 0.000000\n0.000000 0.000000 4.846071\nMg Cr Fe\n6 1 1\ndirect\n0.167245 0.851830 0.250000 Mg\n0.648170 0.332756 0.250000 Mg\n0.662316 0.837685 0.250000 Mg\n0.326779 0.642643 0.750000 Mg\n0.857357 0.173222 0.750000 Mg\n0.835824 0.664176 0.750000 Mg\n0.332484 0.167516 0.750000 Cr\n0.169826 0.330175 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Cr",
"Fe"
],
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"density": 2.717779560632228,
"density_atomic": 0.05161597383205029,
"volume": 154.9907791342009,
"volume_molar": 11.66720360560286,
"formula_full": "Mg6 Cr1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94238",
"created_at": "2022-09-04T14:36:16.966443Z",
"updated_at": "2022-09-04T14:36:16.966465Z",
"structure_string": "Mg6 Fe1 W1\n1.0\n6.168439 -0.180893 0.000000\n-3.240877 5.251578 0.000000\n0.000000 0.000000 4.657800\nMg Fe W\n6 1 1\ndirect\n0.179940 0.843324 0.250000 Mg\n0.656676 0.320060 0.250000 Mg\n0.673156 0.826845 0.250000 Mg\n0.319755 0.665482 0.750000 Mg\n0.834518 0.180246 0.750000 Mg\n0.829852 0.670149 0.750000 Mg\n0.198447 0.301553 0.250000 Fe\n0.307658 0.192342 0.750000 W\n",
"nsites": 8,
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"elements": [
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"Fe",
"W"
],
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"density": 4.320918678600171,
"density_atomic": 0.0539977547001508,
"volume": 148.1543083490036,
"volume_molar": 11.152576238476788,
"formula_full": "Mg6 Fe1 W1",
"formula_reduced": "Mg6FeW",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-9424",
"created_at": "2022-09-04T14:37:14.728935Z",
"updated_at": "2022-09-04T14:37:14.728945Z",
"structure_string": "Hf2 Cu4 Te6\n1.0\n4.008784 -0.000000 -0.805014\n-0.189083 7.250100 -0.941588\n0.002955 -0.073299 10.398642\nHf Cu Te\n2 4 6\ndirect\n0.645792 0.055809 0.291585 Hf\n0.354209 0.944191 0.708415 Hf\n0.712762 0.428335 0.425525 Cu\n0.287239 0.571665 0.574475 Cu\n0.048101 0.150443 0.096201 Cu\n0.951900 0.849557 0.903799 Cu\n0.751123 0.786906 0.502245 Te\n0.916981 0.179729 0.833963 Te\n0.582691 0.366933 0.165383 Te\n0.248878 0.213094 0.497755 Te\n0.417310 0.633067 0.834617 Te\n0.083019 0.820270 0.166037 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Te"
],
"chemical_system": "Cu-Hf-Te",
"density": 7.571193067001888,
"density_atomic": 0.03974083318829784,
"volume": 301.9564271121911,
"volume_molar": 15.153534228802458,
"formula_full": "Hf2 Cu4 Te6",
"formula_reduced": "HfCu2Te3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2857912000000007,
"spacegroup": 12
},
{
"id": "jvasp-94240",
"created_at": "2022-09-04T14:35:41.123826Z",
"updated_at": "2022-09-04T14:35:41.123854Z",
"structure_string": "Mg6 Ga1 Fe1\n1.0\n6.098284 -0.029941 0.000000\n-3.075072 5.326180 0.000000\n0.000000 0.000000 4.800240\nMg Ga Fe\n6 1 1\ndirect\n0.667606 0.332247 0.250000 Mg\n0.667607 0.835360 0.250000 Mg\n0.324361 0.171323 0.750000 Mg\n0.324361 0.653040 0.750000 Mg\n0.848331 0.174166 0.750000 Mg\n0.838296 0.669149 0.750000 Mg\n0.164841 0.832420 0.250000 Ga\n0.164598 0.332298 0.250000 Fe\n",
"nsites": 8,
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"elements": [
"Mg",
"Ga",
"Fe"
],
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"density": 2.8986923257152335,
"density_atomic": 0.051456040829840864,
"volume": 155.47251344997701,
"volume_molar": 11.703467003834435,
"formula_full": "Mg6 Ga1 Fe1",
"formula_reduced": "Mg6GaFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00070125,
"spacegroup": 38
},
{
"id": "jvasp-94241",
"created_at": "2022-09-04T14:35:44.365462Z",
"updated_at": "2022-09-04T14:35:44.365477Z",
"structure_string": "Mg6 Nb1 Fe1\n1.0\n6.252896 -0.167661 0.000000\n-3.271645 5.331336 0.000000\n0.000000 0.000000 4.739284\nMg Nb Fe\n6 1 1\ndirect\n0.179787 0.840280 0.250000 Mg\n0.659721 0.320213 0.250000 Mg\n0.673680 0.826321 0.250000 Mg\n0.318355 0.666239 0.749999 Mg\n0.833762 0.181645 0.749999 Mg\n0.831537 0.668464 0.749999 Mg\n0.308020 0.191981 0.749999 Nb\n0.195140 0.304861 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Nb",
"Fe"
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"density_atomic": 0.05148319309653146,
"volume": 155.39051715382,
"volume_molar": 11.697294588368733,
"formula_full": "Mg6 Nb1 Fe1",
"formula_reduced": "Mg6NbFe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5806961499999999,
"spacegroup": 38
},
{
"id": "jvasp-94242",
"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
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],
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"density": 2.7253338357474144,
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"volume": 208.43469730104638,
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"formula_full": "Ba1 Mg6 Co1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94243",
"created_at": "2022-09-04T14:35:50.465191Z",
"updated_at": "2022-09-04T14:35:50.465208Z",
"structure_string": "Mg6 Fe1 Sn1\n1.0\n6.223079 -0.022004 0.000000\n-3.130595 5.422351 0.000000\n0.000000 0.000000 4.887192\nMg Fe Sn\n6 1 1\ndirect\n0.669003 0.331647 0.250000 Mg\n0.669002 0.837356 0.250000 Mg\n0.328059 0.180586 0.750000 Mg\n0.328058 0.647474 0.750000 Mg\n0.848761 0.174382 0.750000 Mg\n0.825817 0.662911 0.750000 Mg\n0.165993 0.332996 0.250000 Fe\n0.165305 0.832652 0.250000 Sn\n",
"nsites": 8,
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],
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"density": 3.2326331339064573,
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"volume": 164.57537456770862,
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"formula_full": "Mg6 Fe1 Sn1",
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{
"id": "jvasp-94245",
"created_at": "2022-09-04T14:35:54.114382Z",
"updated_at": "2022-09-04T14:35:54.114420Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.892278 -0.373739 0.000000\n-3.769806 5.782018 0.000000\n0.000000 0.000000 4.678605\nCe Mg Fe\n1 6 1\ndirect\n0.283093 0.216907 0.749999 Ce\n0.176148 0.843189 0.250000 Mg\n0.656812 0.323852 0.250000 Mg\n0.685377 0.814623 0.250000 Mg\n0.317303 0.691255 0.749999 Mg\n0.808745 0.182696 0.749999 Mg\n0.845593 0.654407 0.749999 Mg\n0.226927 0.273073 0.250000 Fe\n",
"nsites": 8,
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"volume": 179.85657996254596,
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}
]
}