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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4068",
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"results": [
{
"id": "jvasp-30114",
"created_at": "2022-09-04T14:38:06.808327Z",
"updated_at": "2022-09-04T14:38:06.808352Z",
"structure_string": "Mn2 O4\n1.0\n1.436905 -2.347495 -0.000295\n3.212081 0.353375 4.063225\n-3.903873 -2.390033 0.938843\nMn O\n2 4\ndirect\n-0.004909 0.008680 0.971207 Mn\n0.499962 -0.001219 0.528313 Mn\n0.125305 0.747936 0.553115 O\n0.596574 0.805515 0.076102 O\n0.369743 0.259525 0.946415 O\n0.898469 0.201937 0.423430 O\n",
"nsites": 6,
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"elements": [
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"O"
],
"chemical_system": "Mn-O",
"density": 4.914568653364508,
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"volume": 58.74860547552583,
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"formula_full": "Mn2 O4",
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"spacegroup": 12
},
{
"id": "jvasp-44801",
"created_at": "2022-09-04T14:38:04.364828Z",
"updated_at": "2022-09-04T14:38:04.364849Z",
"structure_string": "Mn4 O6\n1.0\n4.963893 0.000000 0.000000\n-2.481947 1.432952 4.552724\n2.481947 -4.298858 -0.000000\nMn O\n4 6\ndirect\n0.153264 0.459792 0.153265 Mn\n0.653263 0.959791 0.653265 Mn\n0.346735 0.040208 0.346735 Mn\n0.846735 0.540208 0.846736 Mn\n0.249999 0.749999 0.560036 O\n0.060035 0.250000 0.750000 O\n0.439964 0.250000 0.060035 O\n0.560034 0.749999 0.939965 O\n0.939963 0.749999 0.250000 O\n0.749999 0.250000 0.439965 O\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Mn-O",
"density": 5.396891283040965,
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"volume": 97.15090129035225,
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"formula_full": "Mn4 O6",
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"formula_anonymous": "A2B3",
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"spacegroup": 167
},
{
"id": "jvasp-12240",
"created_at": "2022-09-04T14:38:04.214942Z",
"updated_at": "2022-09-04T14:38:04.214971Z",
"structure_string": "Mn4 O8\n1.0\n2.813882 -0.000024 0.577203\n1.406909 6.918874 0.288466\n0.016866 -0.000139 7.066526\nMn O\n4 8\ndirect\n0.651114 0.180711 0.517092 Mn\n0.168199 0.482906 0.180708 Mn\n0.831803 0.517092 0.819292 Mn\n0.348887 0.819290 0.482908 Mn\n0.836070 0.706539 0.621285 O\n0.457374 0.378711 0.706547 O\n0.542628 0.621288 0.293455 O\n0.163930 0.293462 0.378716 O\n0.155343 0.047374 0.641929 O\n0.797276 0.358069 0.047373 O\n0.844658 0.952626 0.358073 O\n0.202726 0.641932 0.952627 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.1993069741728135,
"density_atomic": 0.08726616787735156,
"volume": 137.5103352408625,
"volume_molar": 6.900888289793855,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.087434747126437,
"spacegroup": 87
},
{
"id": "jvasp-12695",
"created_at": "2022-09-04T14:38:14.640118Z",
"updated_at": "2022-09-04T14:38:14.640147Z",
"structure_string": "Mn4 O8\n1.0\n4.955356 0.007307 2.855939\n1.643200 4.670140 2.863535\n0.004585 -0.006455 5.719473\nMn O\n4 8\ndirect\n0.500002 0.500000 0.499998 Mn\n0.000001 0.500000 0.499998 Mn\n0.500000 0.500001 -0.000001 Mn\n0.500000 -0.000000 0.500000 Mn\n0.291448 0.736179 0.736200 O\n0.736173 0.736202 0.736177 O\n0.736181 0.291448 0.736170 O\n0.736202 0.736171 0.291447 O\n0.263828 0.263800 0.263820 O\n0.708554 0.263819 0.263798 O\n0.263799 0.263827 0.708552 O\n0.263820 0.708552 0.263829 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.364924803752527,
"density_atomic": 0.09070788657247811,
"volume": 132.2927967284484,
"volume_molar": 6.639048695273198,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.103414747126437,
"spacegroup": 227
},
{
"id": "jvasp-19979",
"created_at": "2022-09-04T14:37:35.875970Z",
"updated_at": "2022-09-04T14:37:35.875998Z",
"structure_string": "Mn2 Ni2\n1.0\n2.893873 0.000000 0.000000\n0.000000 4.124658 0.000000\n0.000000 0.000000 4.124658\nMn Ni\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Ni\n0.499999 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.66517837811838,
"density_atomic": 0.08124649503399271,
"volume": 49.23289304143447,
"volume_molar": 7.412185297938573,
"formula_full": "Mn2 Ni2",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7758098206896549,
"spacegroup": 221
},
{
"id": "jvasp-107313",
"created_at": "2022-09-04T14:36:57.500906Z",
"updated_at": "2022-09-04T14:36:57.500924Z",
"structure_string": "Mn1 Ni1\n1.0\n2.357680 0.007367 3.639481\n1.081334 2.095096 3.639481\n0.012051 0.007367 4.336396\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499998 0.500002 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 8.875501806426035,
"density_atomic": 0.09407522928605347,
"volume": 21.259581456013496,
"volume_molar": 6.401409601339951,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7987148206896548,
"spacegroup": 166
},
{
"id": "jvasp-16576",
"created_at": "2022-09-04T14:37:56.283471Z",
"updated_at": "2022-09-04T14:37:56.283499Z",
"structure_string": "Mn1 Ni1\n1.0\n2.909090 0.000000 -0.000000\n0.000000 2.909090 0.000000\n0.000000 -0.000000 2.909090\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.664364569489928,
"density_atomic": 0.08123786912922852,
"volume": 24.619060315559427,
"volume_molar": 7.412972329961445,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.775684820689655,
"spacegroup": 221
},
{
"id": "jvasp-111353",
"created_at": "2022-09-04T14:38:46.735595Z",
"updated_at": "2022-09-04T14:38:46.735608Z",
"structure_string": "Mn1 Ni1\n1.0\n2.868828 0.227952 0.000000\n-0.230231 2.868646 0.000000\n0.000000 0.000000 2.948646\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500001 Ni\n",
"nsites": 2,
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"elements": [
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"Ni"
],
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"density": 7.726499119913278,
"density_atomic": 0.08189645973121908,
"volume": 24.42108006333754,
"volume_molar": 7.353359082632419,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7719298206896548,
"spacegroup": 221
},
{
"id": "jvasp-4376",
"created_at": "2022-09-04T14:38:16.748196Z",
"updated_at": "2022-09-04T14:38:16.748220Z",
"structure_string": "Mn2 Ni2\n1.0\n2.893856 0.000000 0.000000\n-0.000000 4.124678 0.000000\n0.000000 0.000000 4.124678\nMn Ni\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.665149072260936,
"density_atomic": 0.08124618440870991,
"volume": 49.23308127158257,
"volume_molar": 7.412213636649751,
"formula_full": "Mn2 Ni2",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7758098206896549,
"spacegroup": 221
},
{
"id": "jvasp-16577",
"created_at": "2022-09-04T14:37:54.351238Z",
"updated_at": "2022-09-04T14:37:54.351254Z",
"structure_string": "Mn1 Ni3\n1.0\n3.559987 -0.000000 -0.000000\n-0.000000 3.559987 -0.000000\n0.000000 0.000000 3.559987\nMn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 8.5025685409677,
"density_atomic": 0.08865735187790075,
"volume": 45.11752173140492,
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"formula_full": "Mn1 Ni3",
"formula_reduced": "MnNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.813751110344828,
"spacegroup": 221
},
{
"id": "jvasp-21808",
"created_at": "2022-09-04T14:37:29.174002Z",
"updated_at": "2022-09-04T14:37:29.174018Z",
"structure_string": "Mn8 Nb4\n1.0\n2.403314 -4.162663 0.000000\n2.403314 4.162663 -0.000000\n-0.000000 0.000000 7.900590\nMn Nb\n8 4\ndirect\n0.171341 0.828657 0.250000 Mn\n0.828657 0.657315 0.750000 Mn\n0.342684 0.171342 0.750000 Mn\n0.657315 0.828657 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.828657 0.171341 0.750000 Mn\n0.171342 0.342684 0.250000 Mn\n0.333332 0.666666 0.562409 Nb\n0.666666 0.333332 0.062409 Nb\n0.666666 0.333332 0.437591 Nb\n0.333332 0.666666 0.937591 Nb\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Nb"
],
"chemical_system": "Mn-Nb",
"density": 8.52056135259191,
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"volume": 158.0779479296685,
"volume_molar": 7.933063779036785,
"formula_full": "Mn8 Nb4",
"formula_reduced": "Mn2Nb",
"formula_anonymous": "AB2",
"energy_above_hull": 4.086154627586208,
"spacegroup": 194
},
{
"id": "jvasp-51507",
"created_at": "2022-09-04T14:37:31.026210Z",
"updated_at": "2022-09-04T14:37:31.026241Z",
"structure_string": "Mn4 N1\n1.0\n4.268459 -0.000000 0.000000\n0.000000 4.268399 0.000000\n0.000000 0.000000 4.268440\nMn N\n4 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.991279734764161,
"density_atomic": 0.06429314930340338,
"volume": 77.76878336453373,
"volume_molar": 9.36669120310337,
"formula_full": "Mn4 N1",
"formula_reduced": "Mn4N",
"formula_anonymous": "AB4",
"energy_above_hull": 5.069772443103448,
"spacegroup": 221
}
]
}