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{
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"results": [
{
"id": "jvasp-47837",
"created_at": "2022-09-04T14:37:04.983581Z",
"updated_at": "2022-09-04T14:37:04.983604Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.566021 0.000000 0.000000\n0.000000 5.566021 0.000000\n0.000000 0.000000 7.837684\nLi Fe Si O\n4 4 4 16\ndirect\n0.768485 0.000000 0.750000 Li\n0.231515 0.000000 0.250000 Li\n0.000000 0.768485 0.500000 Li\n0.000000 0.231515 0.000000 Li\n0.500000 0.753926 0.500000 Fe\n0.753926 0.500000 0.750000 Fe\n0.246073 0.500000 0.250000 Fe\n0.500000 0.246073 0.000000 Fe\n0.251568 0.251568 0.625000 Si\n0.748432 0.251568 0.375000 Si\n0.251568 0.748432 0.874999 Si\n0.748432 0.748432 0.125000 Si\n0.004306 0.262215 0.739460 O\n0.995694 0.262215 0.260539 O\n0.497107 0.260209 0.752703 O\n0.502893 0.260209 0.247296 O\n0.260209 0.502893 0.002703 O\n0.739791 0.502893 -0.002703 O\n0.260209 0.497107 0.497296 O\n0.262215 0.004306 0.510539 O\n0.497107 0.739791 0.747296 O\n0.502893 0.739791 0.252703 O\n0.995694 0.737785 0.239460 O\n0.004306 0.737785 0.760539 O\n0.737785 0.995694 0.010540 O\n0.737785 0.004306 0.489460 O\n0.739791 0.497107 0.502703 O\n0.262215 0.995694 0.989460 O\n",
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"elements": [
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"O"
],
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"density": 4.236394861764342,
"density_atomic": 0.11531361857795679,
"volume": 242.81607277002448,
"volume_molar": 5.222402032183895,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
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{
"id": "jvasp-106783",
"created_at": "2022-09-04T14:36:48.564899Z",
"updated_at": "2022-09-04T14:36:48.564915Z",
"structure_string": "Lu1 Ga1 Co1 O4\n1.0\n3.339729 0.008249 7.985831\n1.609290 2.926439 7.985831\n0.013911 0.008249 8.656044\nLu Ga Co O\n1 1 1 4\ndirect\n0.998906 0.998908 0.998905 Lu\n0.213706 0.213707 0.213706 Ga\n0.783551 0.783553 0.783551 Co\n0.705767 0.705768 0.705766 O\n0.290083 0.290083 0.290083 O\n0.878248 0.878249 0.878247 O\n0.136136 0.136136 0.136136 O\n",
"nsites": 7,
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"elements": [
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"Co",
"O"
],
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"density": 7.263193316497728,
"density_atomic": 0.08328685751824595,
"volume": 84.04687376356449,
"volume_molar": 7.230601489173376,
"formula_full": "Lu1 Ga1 Co1 O4",
"formula_reduced": "LuGaCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9195261392857148,
"spacegroup": 160
},
{
"id": "jvasp-47822",
"created_at": "2022-09-04T14:37:05.858759Z",
"updated_at": "2022-09-04T14:37:05.858778Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.755052 4.098498 -0.000000\n-2.755052 4.098498 -0.000000\n0.000000 -0.000000 6.150216\nLi Fe Si O\n2 2 2 8\ndirect\n0.169749 0.169749 0.250000 Li\n0.830252 0.830252 0.750001 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.151950 0.151950 0.750001 Si\n0.848051 0.848051 0.250000 Si\n0.262367 0.786992 0.750001 O\n0.213008 0.737634 0.250000 O\n0.266033 0.266033 0.532748 O\n0.733967 0.733967 0.032748 O\n0.266033 0.266033 0.967253 O\n0.733967 0.733967 0.467252 O\n0.786992 0.262367 0.750001 O\n0.737634 0.213008 0.250000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.703130144746835,
"density_atomic": 0.10079828509612246,
"volume": 138.89125183676916,
"volume_molar": 5.974447634954518,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.439411157142857,
"spacegroup": 63
},
{
"id": "jvasp-8650",
"created_at": "2022-09-04T14:37:05.479338Z",
"updated_at": "2022-09-04T14:37:05.479358Z",
"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.964368 -0.000000 -0.000001\n-2.482183 3.314886 2.482184\n0.000001 -0.000000 4.964368\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698017 0.762981 0.435603 O\n0.801417 0.237020 0.698016 O\n0.435604 0.237020 0.064964 O\n0.064965 0.762981 0.801416 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.3631116508553265,
"density_atomic": 0.08568435019338617,
"volume": 81.695198530435,
"volume_molar": 7.0282854995203525,
"formula_full": "Li1 Cu1 P1 O4",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.82982285,
"spacegroup": 82
},
{
"id": "jvasp-101463",
"created_at": "2022-09-04T14:36:48.414970Z",
"updated_at": "2022-09-04T14:36:48.414987Z",
"structure_string": "Ga1 Cu1 Ge1 Se4\n1.0\n5.040406 0.009006 -4.407726\n-1.032864 4.933454 -4.407726\n-0.007303 -0.009006 6.695796\nGa Cu Ge Se\n1 1 1 4\ndirect\n0.500001 0.500000 -0.000000 Ga\n0.250001 0.749999 0.500000 Cu\n0.750001 0.250000 0.500000 Ge\n0.112955 0.115324 0.462774 Se\n0.652552 0.650181 0.537227 Se\n0.349820 0.887045 0.002369 Se\n0.884677 0.347449 0.997631 Se\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ga-Ge-Se",
"density": 5.2140193332121,
"density_atomic": 0.042126943899405536,
"volume": 166.16443900405457,
"volume_molar": 14.29522344269787,
"formula_full": "Ga1 Cu1 Ge1 Se4",
"formula_reduced": "GaCuGeSe4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-102679",
"created_at": "2022-09-04T14:36:52.559914Z",
"updated_at": "2022-09-04T14:36:52.559939Z",
"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Ce",
"V",
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],
"chemical_system": "Ce-O-Sr-V",
"density": 6.217180543387879,
"density_atomic": 0.07648211224827152,
"volume": 91.52466889613393,
"volume_molar": 7.873920558641607,
"formula_full": "Sr1 Ce1 V1 O4",
"formula_reduced": "SrCeVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.10248143,
"spacegroup": 107
},
{
"id": "jvasp-50638",
"created_at": "2022-09-04T14:36:50.326436Z",
"updated_at": "2022-09-04T14:36:50.326464Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n0.000000 5.719488 0.113397\n6.500173 0.000000 0.000000\n0.000000 -5.019710 -10.172592\nLi Si Bi O\n4 4 4 16\ndirect\n0.408363 0.363443 0.548616 Li\n0.591637 0.863442 0.951383 Li\n0.408363 0.136557 0.048616 Li\n0.591637 0.636557 0.451383 Li\n0.202230 0.694764 0.638930 Si\n0.202230 0.805235 0.138930 Si\n0.797770 0.194764 0.861069 Si\n0.797770 0.305235 0.361069 Si\n0.968839 0.335783 0.141046 Bi\n0.968839 0.164216 0.641046 Bi\n0.031161 0.835783 0.358954 Bi\n0.031161 0.664216 0.858954 Bi\n0.690383 0.163754 0.226248 O\n0.837897 0.531421 0.309461 O\n0.640219 0.315448 0.453044 O\n0.690382 0.336246 0.726248 O\n0.837897 0.968578 0.809461 O\n0.359781 0.815447 0.046956 O\n0.640219 0.184552 0.953044 O\n0.087971 0.199547 0.467259 O\n0.309617 0.663754 0.273752 O\n0.359781 0.684552 0.546956 O\n0.162103 0.468578 0.690538 O\n0.309617 0.836246 0.773752 O\n0.912029 0.800452 0.532741 O\n0.087971 0.300453 0.967259 O\n0.162103 0.031421 0.190538 O\n0.912029 0.699547 0.032741 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.4628876503827035,
"density_atomic": 0.07476772215544732,
"volume": 374.49315283119154,
"volume_molar": 8.0544660000201,
"formula_full": "Li4 Si4 Bi4 O16",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-56624",
"created_at": "2022-09-04T14:37:03.049973Z",
"updated_at": "2022-09-04T14:37:03.049987Z",
"structure_string": "Rb2 Li2 Mo2 O8\n1.0\n5.416465 0.012991 -1.448061\n-2.900973 4.794352 -0.183549\n0.073394 -0.032203 9.855301\nRb Li Mo O\n2 2 2 8\ndirect\n0.973819 0.463330 0.498301 Rb\n0.034970 0.024483 0.998301 Rb\n0.740839 0.364515 0.127924 Li\n0.763409 0.887086 0.627924 Li\n0.501526 0.251877 0.751931 Mo\n0.500055 0.750406 0.251931 Mo\n0.134029 0.492887 0.226483 O\n0.630947 0.215482 0.929396 O\n0.525437 0.071859 0.221887 O\n0.150028 0.196451 0.721886 O\n0.713914 0.798449 0.429396 O\n0.492656 0.004497 0.629079 O\n0.624582 0.636422 0.129079 O\n0.733596 0.592455 0.726484 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-Rb",
"density": 3.2655128547114374,
"density_atomic": 0.05455106413255885,
"volume": 256.6402731572763,
"volume_molar": 11.039456068842624,
"formula_full": "Rb2 Li2 Mo2 O8",
"formula_reduced": "RbLiMoO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 9
},
{
"id": "jvasp-106732",
"created_at": "2022-09-04T14:36:50.281365Z",
"updated_at": "2022-09-04T14:36:50.281390Z",
"structure_string": "Sr1 La1 Ga1 O4\n1.0\n3.730521 0.020784 -5.787105\n-0.305893 3.718017 -5.787105\n-0.019038 -0.020784 6.885275\nSr La Ga O\n1 1 1 4\ndirect\n0.642266 0.642266 -0.000001 Sr\n0.358267 0.358266 -0.000000 La\n0.006809 0.006809 -0.000000 Ga\n0.994482 0.494482 0.499999 O\n0.494482 0.994483 0.500001 O\n0.834398 0.834398 -0.000001 O\n0.169297 0.169297 -0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ga-La-O-Sr",
"density": 6.3201104784417685,
"density_atomic": 0.07395616127930597,
"volume": 94.65066708321304,
"volume_molar": 8.142852002900108,
"formula_full": "Sr1 La1 Ga1 O4",
"formula_reduced": "SrLaGaO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 107
},
{
"id": "jvasp-48298",
"created_at": "2022-09-04T14:36:45.537805Z",
"updated_at": "2022-09-04T14:36:45.537830Z",
"structure_string": "Li2 Co2 Ni2 O8\n1.0\n5.663432 -0.024818 0.008650\n0.085097 5.662847 0.008650\n2.786644 -2.846308 4.025991\nLi Co Ni O\n2 2 2 8\ndirect\n0.500000 -0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.213949 0.763556 0.022495 O\n0.239547 0.229285 0.968835 O\n0.241060 0.236444 0.522494 O\n0.239551 0.791618 0.531165 O\n0.760449 0.208382 0.468835 O\n0.758940 0.763555 0.477505 O\n0.760453 0.770715 0.031165 O\n0.786050 0.236444 0.977505 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Li-Ni-O",
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"density_atomic": 0.10842047367404588,
"volume": 129.12690311692833,
"volume_molar": 5.55443133195018,
"formula_full": "Li2 Co2 Ni2 O8",
"formula_reduced": "LiCoNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1991139000000004,
"spacegroup": 74
},
{
"id": "jvasp-47526",
"created_at": "2022-09-04T14:37:03.721229Z",
"updated_at": "2022-09-04T14:37:03.721248Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n4.938260 -0.007685 0.001638\n-2.462153 4.899450 -0.024315\n-0.004103 -1.684531 6.371581\nLi Mn P O\n2 2 2 8\ndirect\n0.062594 0.001213 0.498648 Li\n0.031627 0.001347 -0.001438 Li\n0.355588 0.710903 0.273477 Mn\n0.646082 0.291888 0.723436 Mn\n0.316984 0.650596 0.769878 P\n0.667697 0.352154 0.227031 P\n0.748688 0.668983 0.327089 O\n0.305344 0.835275 0.623329 O\n0.211494 0.732745 0.983474 O\n0.647053 0.690539 0.792443 O\n0.957834 0.312253 0.204434 O\n0.480061 0.270024 0.013444 O\n0.471361 0.167471 0.373593 O\n0.081104 0.333769 0.669817 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
"density": 3.386003526491867,
"density_atomic": 0.09100195003131852,
"volume": 153.84285716055393,
"volume_molar": 6.617595291010212,
"formula_full": "Li2 Mn2 P2 O8",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5517166773399014,
"spacegroup": 5
},
{
"id": "jvasp-11129",
"created_at": "2022-09-04T14:36:49.042566Z",
"updated_at": "2022-09-04T14:36:49.042599Z",
"structure_string": "K2 Pr2 Si2 Se8\n1.0\n0.000000 6.818563 0.001438\n6.997282 0.000000 0.000000\n0.000000 -2.753278 -8.476168\nK Pr Si Se\n2 2 2 8\ndirect\n0.766531 0.294274 0.065510 K\n0.233469 0.794274 0.934490 K\n0.729412 0.302787 0.552285 Pr\n0.270588 0.802787 0.447716 Pr\n0.714370 0.773456 0.312932 Si\n0.285630 0.273456 0.687068 Si\n0.527396 0.033359 0.737083 Se\n0.089219 0.271487 0.850337 Se\n0.910780 0.771487 0.149663 Se\n0.487548 0.542654 0.723367 Se\n0.512451 0.042654 0.276633 Se\n0.091533 0.229972 0.428020 Se\n0.908466 0.729972 0.571981 Se\n0.472603 0.533359 0.262918 Se\n",
"nsites": 14,
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"elements": [
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"Se"
],
"chemical_system": "K-Pr-Se-Si",
"density": 4.302902676732136,
"density_atomic": 0.03462071216257699,
"volume": 404.38220722487614,
"volume_molar": 17.394618376769234,
"formula_full": "K2 Pr2 Si2 Se8",
"formula_reduced": "KPrSiSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.3594657023809529,
"spacegroup": 4
}
]
}