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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3481",
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"results": [
{
"id": "jvasp-119265",
"created_at": "2022-09-04T14:38:28.838754Z",
"updated_at": "2022-09-04T14:38:28.838776Z",
"structure_string": "Li6 Ni4 Sn2 O12\n1.0\n5.873405 0.002175 1.361734\n3.240652 5.799416 -0.597930\n0.000067 0.054989 6.658022\nLi Ni Sn O\n6 4 2 12\ndirect\n0.750220 0.833392 0.335060 Li\n0.249779 0.833279 0.331609 Li\n0.753466 0.500009 0.974805 Li\n0.243256 0.525991 0.981061 Li\n0.756740 0.140679 0.685605 Li\n0.246525 0.166658 0.691860 Li\n0.510563 0.984298 0.993158 Ni\n0.489438 0.682370 0.673508 Ni\n0.005651 0.990377 0.994001 Ni\n0.994349 0.676292 0.672665 Ni\n0.000000 0.333334 0.333333 Sn\n0.500002 0.333333 0.333332 Sn\n0.864748 0.095906 0.351027 O\n0.647976 0.229454 0.006755 O\n0.121245 0.225521 0.006405 O\n0.878758 0.441147 0.660260 O\n0.352024 0.437216 0.659910 O\n0.646937 0.895431 0.675084 O\n0.122147 0.893959 0.669230 O\n0.877852 0.772711 -0.002564 O\n0.353066 0.771236 0.991581 O\n0.628365 0.578036 0.330468 O\n0.135251 0.570765 0.315639 O\n0.371634 0.088633 0.336198 O\n",
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"O"
],
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"volume": 227.17598742607183,
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"formula_full": "Li6 Ni4 Sn2 O12",
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"formula_anonymous": "AB2C3D6",
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{
"id": "jvasp-50952",
"created_at": "2022-09-04T14:36:34.804999Z",
"updated_at": "2022-09-04T14:36:34.805018Z",
"structure_string": "Tm4 Ti2 O10\n1.0\n0.000000 4.028330 0.000000\n-5.432975 2.014166 0.000000\n0.000000 -0.000000 10.380166\nTm Ti O\n4 2 10\ndirect\n0.143065 0.713871 0.930624 Tm\n0.143065 0.713871 0.569377 Tm\n0.856936 0.286128 0.069376 Tm\n0.856936 0.286128 0.430624 Tm\n0.172014 0.655973 0.250000 Ti\n0.827987 0.344026 0.750000 Ti\n0.050192 0.899616 0.377490 O\n0.050192 0.899616 0.122511 O\n0.708752 0.582496 0.910168 O\n0.708752 0.582496 0.589832 O\n0.273366 0.453269 0.750000 O\n0.726635 0.546730 0.250000 O\n0.291249 0.417503 0.089832 O\n0.291249 0.417503 0.410168 O\n0.949809 0.100383 0.622511 O\n0.949809 0.100383 0.877490 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ti",
"O"
],
"chemical_system": "O-Ti-Tm",
"density": 6.8084541569973105,
"density_atomic": 0.07042922939419019,
"volume": 227.17840501205117,
"volume_molar": 8.550627078842885,
"formula_full": "Tm4 Ti2 O10",
"formula_reduced": "Tm2TiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.2498280416666665,
"spacegroup": 63
},
{
"id": "jvasp-92873",
"created_at": "2022-09-04T14:35:43.799390Z",
"updated_at": "2022-09-04T14:35:43.799415Z",
"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sb"
],
"chemical_system": "Ba-Mg-Sb",
"density": 2.959460851253736,
"density_atomic": 0.035211739346322185,
"volume": 227.1969561434229,
"volume_molar": 17.102650626740495,
"formula_full": "Ba1 Mg6 Sb1",
"formula_reduced": "BaMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-98036",
"created_at": "2022-09-04T14:35:41.862993Z",
"updated_at": "2022-09-04T14:35:41.863019Z",
"structure_string": "Ce3 Si8 Ni2\n1.0\n4.086275 0.000000 -0.643110\n0.000000 4.238032 0.000000\n-0.028258 0.000000 13.123958\nCe Si Ni\n3 8 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.687747 0.500000 0.375495 Ce\n0.312252 0.500000 0.624505 Ce\n0.595315 0.000000 0.190632 Si\n0.404683 0.000000 0.809368 Si\n0.775920 0.000000 0.551843 Si\n0.224078 0.000000 0.448157 Si\n0.902958 0.500000 0.805920 Si\n0.097040 0.500000 0.194080 Si\n0.545733 0.500000 0.091468 Si\n0.454265 0.500000 0.908532 Si\n0.866484 0.000000 0.732972 Ni\n0.133514 0.000000 0.267028 Ni\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ni"
],
"chemical_system": "Ce-Ni-Si",
"density": 5.572283897625289,
"density_atomic": 0.0572181606711571,
"volume": 227.2005923908198,
"volume_molar": 10.524876524099243,
"formula_full": "Ce3 Si8 Ni2",
"formula_reduced": "Ce3(Si4Ni)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.1388777,
"spacegroup": 65
},
{
"id": "jvasp-27483",
"created_at": "2022-09-04T14:38:15.990276Z",
"updated_at": "2022-09-04T14:38:15.990305Z",
"structure_string": "Ca2 Zn2 Si4 O12\n1.0\n5.188176 -0.008054 1.054569\n1.237006 6.544896 0.614301\n-0.007874 0.027170 6.688977\nCa Zn Si O\n2 2 4 12\ndirect\n0.250001 0.699909 0.300092 Ca\n0.750001 0.300093 0.699908 Ca\n0.250001 0.094268 0.905732 Zn\n0.750001 0.905733 0.094268 Zn\n0.770681 0.379988 0.193308 Si\n0.729321 0.806693 0.620013 Si\n0.229321 0.620013 0.806692 Si\n0.270681 0.193308 0.379987 Si\n0.355520 0.026532 0.206815 O\n0.144481 0.793186 0.973468 O\n0.509226 0.329224 0.371692 O\n0.673498 0.610534 0.111169 O\n0.826504 0.888832 0.389467 O\n0.326504 0.389467 0.888831 O\n0.173498 0.111169 0.610533 O\n0.009226 0.371692 0.329224 O\n0.490776 0.670777 0.628308 O\n0.990776 0.628309 0.670777 O\n0.855521 0.206815 0.026532 O\n0.644482 0.973469 0.793185 O\n",
"nsites": 20,
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"elements": [
"Ca",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.7662219807438833,
"density_atomic": 0.08802767936151545,
"volume": 227.2012637963933,
"volume_molar": 6.841189957158862,
"formula_full": "Ca2 Zn2 Si4 O12",
"formula_reduced": "CaZn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.961378902,
"spacegroup": 15
},
{
"id": "jvasp-40731",
"created_at": "2022-09-04T14:38:31.993201Z",
"updated_at": "2022-09-04T14:38:31.993236Z",
"structure_string": "Li6 V2 B4 O12\n1.0\n5.094915 0.031469 0.019817\n0.063760 5.833488 -0.270242\n0.072381 1.672385 7.568712\nLi V B O\n6 2 4 12\ndirect\n0.169762 0.812580 0.895780 Li\n0.343790 0.988370 0.241910 Li\n0.339851 0.739677 0.589045 Li\n0.660150 0.260324 0.410956 Li\n0.656211 0.011631 0.758091 Li\n0.830238 0.187421 0.104221 Li\n0.154879 0.507420 0.248418 V\n0.845122 0.492581 0.751583 V\n0.662057 0.655917 0.076063 B\n0.841983 0.826033 0.415418 B\n0.158018 0.173968 0.584583 B\n0.337944 0.344084 0.923937 B\n0.781960 0.496130 0.208078 O\n0.105478 0.763738 0.391515 O\n0.218041 0.503871 0.791923 O\n0.199848 0.246832 0.070848 O\n0.285474 0.275480 0.428405 O\n0.287666 0.011801 0.698938 O\n0.395114 0.702864 0.095536 O\n0.604886 0.297137 0.904465 O\n0.712335 0.988200 0.301063 O\n0.714526 0.724521 0.571596 O\n0.800152 0.753169 0.929153 O\n0.894522 0.236263 0.608486 O\n",
"nsites": 24,
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"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.767909265140443,
"density_atomic": 0.10561928798013506,
"volume": 227.2312231882678,
"volume_molar": 5.701743379611353,
"formula_full": "Li6 V2 B4 O12",
"formula_reduced": "Li3V(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.8309866972222224,
"spacegroup": 2
},
{
"id": "jvasp-5836",
"created_at": "2022-09-04T14:37:08.651228Z",
"updated_at": "2022-09-04T14:37:08.651237Z",
"structure_string": "Er6 Ru4\n1.0\n3.745680 -6.487708 0.000000\n3.745680 6.487707 -0.000000\n0.000000 0.000000 4.675588\nEr Ru\n6 4\ndirect\n0.384775 0.078546 0.250000 Er\n0.078546 0.693770 0.750000 Er\n0.693770 0.615225 0.250000 Er\n0.306230 0.384775 0.750000 Er\n0.615225 0.921454 0.750000 Er\n0.921454 0.306230 0.250000 Er\n0.666667 0.333333 0.750000 Ru\n0.333333 0.666667 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 10,
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"elements": [
"Er",
"Ru"
],
"chemical_system": "Er-Ru",
"density": 10.287560031088928,
"density_atomic": 0.04400599403450776,
"volume": 227.24177056785484,
"volume_molar": 13.684819289112472,
"formula_full": "Er6 Ru4",
"formula_reduced": "Er3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7158462000000005,
"spacegroup": 176
},
{
"id": "jvasp-101921",
"created_at": "2022-09-04T14:36:53.046792Z",
"updated_at": "2022-09-04T14:36:53.046807Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n3.899228 -0.239244 -0.615282\n-1.484146 4.478910 0.058180\n-0.407759 0.233082 13.338079\nZn H C O\n1 14 9 4\ndirect\n0.295100 0.757731 0.172341 Zn\n0.901265 0.114466 0.604139 H\n0.995165 0.659410 0.875634 H\n0.543417 0.650788 0.829458 H\n0.045566 0.629418 0.684227 H\n0.579715 0.592161 0.644030 H\n0.434872 0.073917 0.565044 H\n0.098629 0.570136 0.494494 H\n0.743698 0.190873 0.975550 H\n0.285590 0.171482 0.929408 H\n0.837401 0.156960 0.787824 H\n0.374224 0.125901 0.748057 H\n-0.072270 0.034478 0.422513 H\n0.470562 0.007186 0.381976 H\n0.632080 0.535028 0.455777 H\n0.618775 0.534185 0.037010 C\n0.575281 0.329192 0.947513 C\n0.704126 0.504552 0.854044 C\n0.661939 0.292292 0.764958 C\n0.811324 0.404578 0.481011 C\n0.720456 0.244848 0.580063 C\n0.756774 0.172694 0.396928 C\n0.860029 0.297952 0.296210 C\n0.759261 0.460553 0.667747 C\n0.907479 0.779528 0.057008 O\n0.732167 0.127565 0.215699 O\n0.092756 0.572476 0.296096 O\n0.364469 0.451924 0.090021 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.12321446403664393,
"volume": 227.24604792886012,
"volume_molar": 4.887527456361793,
"formula_full": "Zn1 H14 C9 O4",
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"formula_anonymous": "AB4C9D14",
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},
{
"id": "jvasp-13819",
"created_at": "2022-09-04T14:38:33.556618Z",
"updated_at": "2022-09-04T14:38:33.556644Z",
"structure_string": "Er6 Ru4\n1.0\n3.745702 -6.487746 0.000000\n3.745702 6.487746 -0.000000\n-0.000000 0.000000 4.675672\nEr Ru\n6 4\ndirect\n0.384770 0.078529 0.250000 Er\n0.078529 0.693759 0.750000 Er\n0.693759 0.615230 0.250000 Er\n0.306241 0.384769 0.750000 Er\n0.615230 0.921470 0.750000 Er\n0.921470 0.306240 0.250000 Er\n0.666667 0.333333 0.750000 Ru\n0.333333 0.666667 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
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"volume": 227.24853638121755,
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"formula_full": "Er6 Ru4",
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"formula_anonymous": "A2B3",
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"spacegroup": 176
},
{
"id": "jvasp-9528",
"created_at": "2022-09-04T14:37:19.917149Z",
"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.9564044518881554,
"density_atomic": 0.07040464391696982,
"volume": 227.25773627758488,
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"formula_full": "Mg2 V2 S2 F10",
"formula_reduced": "MgVSF5",
"formula_anonymous": "ABCD5",
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"spacegroup": 1
},
{
"id": "jvasp-7721",
"created_at": "2022-09-04T14:36:34.473583Z",
"updated_at": "2022-09-04T14:36:34.473610Z",
"structure_string": "V3 Te6\n1.0\n3.616350 0.000000 0.000000\n-1.808175 6.822043 -2.494919\n0.000000 -0.061163 9.234867\nV Te\n3 6\ndirect\n0.000000 0.000000 0.000000 V\n0.358455 0.716909 0.704707 V\n0.641546 0.283091 0.295294 V\n0.355650 0.711297 0.982265 Te\n0.644352 0.288703 0.017735 Te\n0.706126 0.412250 0.620546 Te\n0.293875 0.587750 0.379454 Te\n0.010234 0.020467 0.304641 Te\n0.989768 0.979533 0.695359 Te\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Te-V",
"density": 6.7101187272247955,
"density_atomic": 0.03959862956079887,
"volume": 227.28059278368704,
"volume_molar": 15.207952463995596,
"formula_full": "V3 Te6",
"formula_reduced": "VTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7241065777777782,
"spacegroup": 12
},
{
"id": "jvasp-66521",
"created_at": "2022-09-04T14:36:20.456216Z",
"updated_at": "2022-09-04T14:36:20.456233Z",
"structure_string": "Ba4 Te1 Pt1\n1.0\n0.000000 4.843725 4.843725\n4.843725 0.000000 4.843725\n4.843725 4.843725 0.000000\nBa Te Pt\n4 1 1\ndirect\n0.125211 0.624929 0.624929 Ba\n0.624929 0.624929 0.624929 Ba\n0.624929 0.125211 0.624929 Ba\n0.624929 0.624929 0.125211 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.37078820587467,
"density_atomic": 0.02639871696610762,
"volume": 227.28377321152342,
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"formula_full": "Ba4 Te1 Pt1",
"formula_reduced": "Ba4TePt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4835021744444444,
"spacegroup": 216
}
]
}