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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=44",
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"results": [
{
"id": "jvasp-116731",
"created_at": "2022-09-04T14:38:44.692258Z",
"updated_at": "2022-09-04T14:38:44.692290Z",
"structure_string": "Ti2 Cr2 Ag2 S8\n1.0\n6.321194 -0.004116 -3.524941\n-2.114713 5.892119 -3.632305\n-0.004197 0.004116 7.237588\nTi Cr Ag S\n2 2 2 8\ndirect\n0.992784 0.721216 0.228431 Ti\n0.007215 0.235647 0.728432 Ti\n0.499999 0.255042 0.755042 Cr\n0.000000 0.255042 0.255042 Cr\n0.372303 0.886552 0.014248 Ag\n0.627697 0.641945 0.514248 Ag\n0.757858 0.484026 0.226168 S\n0.759871 0.481853 0.766280 S\n0.215572 0.481852 0.221981 S\n0.765351 0.053682 0.788329 S\n0.234648 0.022977 0.288329 S\n0.242142 0.468310 0.726168 S\n0.784427 0.006408 0.266279 S\n0.240128 0.006409 0.721981 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"S"
],
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"density": 4.13983456064632,
"density_atomic": 0.05194023333091744,
"volume": 269.5405681142078,
"volume_molar": 11.594366012243766,
"formula_full": "Ti2 Cr2 Ag2 S8",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-47449",
"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.8309617026332745,
"density_atomic": 0.10489210473899076,
"volume": 133.47048412115507,
"volume_molar": 5.741271733449577,
"formula_full": "Li2 Mn2 Si2 O8",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5528699773399017,
"spacegroup": 74
},
{
"id": "jvasp-51974",
"created_at": "2022-09-04T14:37:37.024337Z",
"updated_at": "2022-09-04T14:37:37.024363Z",
"structure_string": "Ca4 Mg4 Si4 O16\n1.0\n5.203492 0.000000 0.000000\n0.000000 6.798789 0.000000\n0.000000 0.000000 9.124987\nCa Mg Si O\n4 4 4 16\ndirect\n0.023107 0.750000 0.355001 Ca\n0.976893 0.250000 0.644999 Ca\n0.523106 0.250000 0.144999 Ca\n0.476893 0.750000 0.855001 Ca\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.968841 0.750000 0.680708 Si\n0.531159 0.750000 0.180708 Si\n0.468841 0.250000 0.819292 Si\n0.031159 0.250000 0.319292 Si\n0.313996 0.441842 0.881821 O\n0.441883 0.250000 0.638096 O\n0.058117 0.250000 0.138096 O\n0.313996 0.058158 0.881821 O\n0.813996 0.941842 0.618180 O\n0.941882 0.750000 0.861904 O\n0.269206 0.750000 0.620405 O\n0.186004 0.441842 0.381821 O\n0.769206 0.250000 0.879596 O\n0.686003 0.558158 0.118179 O\n0.186004 0.058158 0.381821 O\n0.230794 0.750000 0.120404 O\n0.686003 0.941842 0.118179 O\n0.730794 0.250000 0.379596 O\n0.813996 0.558158 0.618180 O\n0.558117 0.750000 0.361904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.21936811016686,
"density_atomic": 0.08673598656236682,
"volume": 322.81871815531633,
"volume_molar": 6.943070573907437,
"formula_full": "Ca4 Mg4 Si4 O16",
"formula_reduced": "CaMgSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4227174385714283,
"spacegroup": 62
},
{
"id": "jvasp-104768",
"created_at": "2022-09-04T14:37:00.616361Z",
"updated_at": "2022-09-04T14:37:00.616403Z",
"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"O"
],
"chemical_system": "Al-Cu-In-O",
"density": 5.6148144840481224,
"density_atomic": 0.08787765059160405,
"volume": 79.65620328803817,
"volume_molar": 6.852869551539153,
"formula_full": "Al1 In1 Cu1 O4",
"formula_reduced": "AlInCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4252981742857145,
"spacegroup": 160
},
{
"id": "jvasp-57852",
"created_at": "2022-09-04T14:37:15.858509Z",
"updated_at": "2022-09-04T14:37:15.858529Z",
"structure_string": "K2 Na2 S2 O8\n1.0\n2.798037 -4.846343 -0.000000\n2.798037 4.846343 0.000000\n0.000000 0.000000 7.159086\nK Na S O\n2 2 2 8\ndirect\n0.333334 0.666667 0.663776 K\n0.000000 0.000000 0.997096 K\n0.000000 0.000000 0.498401 Na\n0.666667 0.333334 0.299642 Na\n0.333334 0.666667 0.224350 S\n0.666667 0.333334 0.772350 S\n0.189106 0.378211 0.298494 O\n0.810686 0.621372 0.699206 O\n0.333334 0.666667 0.020161 O\n0.810685 0.189316 0.699206 O\n0.189106 0.810895 0.298494 O\n0.666667 0.333334 0.978127 O\n0.378629 0.189315 0.699206 O\n0.621790 0.810895 0.298494 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Na",
"S",
"O"
],
"chemical_system": "K-Na-O-S",
"density": 2.7051724193534175,
"density_atomic": 0.07210624158878727,
"volume": 194.15794931928667,
"volume_molar": 8.351760717669219,
"formula_full": "K2 Na2 S2 O8",
"formula_reduced": "KNaSO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.335328714285714,
"spacegroup": 156
},
{
"id": "jvasp-48189",
"created_at": "2022-09-04T14:35:57.120589Z",
"updated_at": "2022-09-04T14:35:57.120610Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n2.944516 -2.916476 4.162650\n-2.929076 2.931981 4.162650\n-2.929130 -2.941720 4.202485\nLi Ti V O\n2 2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000001 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 V\n0.240634 0.759354 0.473055 O\n0.757491 0.775471 0.983528 O\n0.240645 0.759365 0.026946 O\n0.224527 0.242508 0.516473 O\n0.775472 0.757491 0.483528 O\n0.759354 0.240633 0.973055 O\n0.242508 0.224527 0.016473 O\n0.759366 0.240645 0.526946 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.925374072462174,
"density_atomic": 0.09748271779449305,
"volume": 143.61519987074962,
"volume_molar": 6.177649634979915,
"formula_full": "Li2 Ti2 V2 O8",
"formula_reduced": "LiTiVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6300209333333333,
"spacegroup": 74
},
{
"id": "jvasp-108922",
"created_at": "2022-09-04T14:38:10.405006Z",
"updated_at": "2022-09-04T14:38:10.405037Z",
"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Sm",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sm-Sr",
"density": 6.848165013618505,
"density_atomic": 0.08004089480933838,
"volume": 87.45529415524862,
"volume_molar": 7.523829880144465,
"formula_full": "Sr1 Sm1 Ni1 O4",
"formula_reduced": "SrSmNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5255873692857147,
"spacegroup": 107
},
{
"id": "jvasp-59199",
"created_at": "2022-09-04T14:38:10.121049Z",
"updated_at": "2022-09-04T14:38:10.121076Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.058602 0.000000 0.000000\n0.000000 6.799233 0.000000\n0.000000 0.000000 10.168468\nLi Mn P O\n4 4 4 16\ndirect\n0.317513 0.787135 0.846766 Li\n0.817513 0.287135 0.653235 Li\n0.182486 0.787135 0.346765 Li\n0.682486 0.287135 0.153235 Li\n0.316843 0.286577 0.844908 Mn\n0.816843 0.786576 0.655092 Mn\n0.183156 0.286577 0.344908 Mn\n0.683156 0.786576 0.155092 Mn\n0.820008 0.036800 0.907305 P\n0.320008 0.536800 0.592696 P\n0.679991 0.036800 0.407305 P\n0.179991 0.536800 0.092695 P\n0.375899 0.029612 0.386097 O\n0.247972 0.543492 0.444728 O\n0.752028 0.043493 0.555273 O\n0.786934 0.224606 0.337886 O\n0.195251 0.349951 0.655260 O\n0.213066 0.724606 0.662114 O\n0.713066 0.224606 0.837886 O\n0.875898 0.529612 0.113904 O\n0.747972 0.043493 0.055273 O\n0.252028 0.543492 0.944728 O\n0.286934 0.724606 0.162114 O\n0.304748 0.349951 0.155260 O\n0.804748 0.849951 0.344740 O\n0.124101 0.029612 0.886097 O\n0.695251 0.849951 0.844740 O\n0.624101 0.529612 0.613904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9788509750931653,
"density_atomic": 0.08005935181852321,
"volume": 349.74052829542995,
"volume_molar": 7.522095324542294,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5454009630541874,
"spacegroup": 33
},
{
"id": "jvasp-119678",
"created_at": "2022-09-04T14:38:52.437291Z",
"updated_at": "2022-09-04T14:38:52.437316Z",
"structure_string": "Mg2 V2 Ga2 S8\n1.0\n6.297859 0.000732 3.609795\n1.961676 5.909776 3.875307\n-0.020365 0.030892 7.334226\nMg V Ga S\n2 2 2 8\ndirect\n0.866608 0.883376 0.883410 Mg\n0.118145 0.131871 0.131826 Mg\n0.497564 0.523690 0.981201 V\n0.497564 0.981195 0.523692 V\n0.507292 0.490661 0.490666 Ga\n0.011390 0.490646 0.490644 Ga\n0.754137 0.737123 0.737136 S\n0.268107 0.242506 0.721274 S\n0.268103 0.721297 0.242484 S\n0.711528 0.259557 0.259568 S\n0.729302 0.291064 0.750345 S\n0.271614 0.737134 0.737131 S\n0.269363 0.259553 0.259547 S\n0.729298 0.750320 0.291085 S\n",
"nsites": 14,
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"elements": [
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"Ga",
"S"
],
"chemical_system": "Ga-Mg-S-V",
"density": 3.3255663566243694,
"density_atomic": 0.05130822293809145,
"volume": 272.86074625684097,
"volume_molar": 11.737184441695282,
"formula_full": "Mg2 V2 Ga2 S8",
"formula_reduced": "MgVGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5889879392857145,
"spacegroup": 44
},
{
"id": "jvasp-44909",
"created_at": "2022-09-04T14:38:10.089117Z",
"updated_at": "2022-09-04T14:38:10.089144Z",
"structure_string": "Li2 V2 Ga2 O8\n1.0\n2.867909 -5.169447 -0.119313\n2.867909 5.169447 0.119313\n2.867909 1.687537 4.887702\nLi V Ga O\n2 2 2 8\ndirect\n0.120279 0.250000 0.129721 Li\n0.879721 0.750001 0.870279 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.500001 0.499999 V\n0.500000 -0.000000 0.000000 Ga\n0.500000 0.500001 0.500000 Ga\n0.288751 0.019217 0.730466 O\n0.249684 0.519217 0.269533 O\n0.257255 0.524591 0.718155 O\n0.257255 0.975411 0.267335 O\n0.742746 0.024591 0.732664 O\n0.742746 0.475410 0.281844 O\n0.750316 0.480784 0.730466 O\n0.711250 0.980784 0.269533 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ga-Li-O-V",
"density": 4.426007229631656,
"density_atomic": 0.09737747972543961,
"volume": 143.7704081012741,
"volume_molar": 6.184325962203694,
"formula_full": "Li2 V2 Ga2 O8",
"formula_reduced": "LiVGaO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.998264360714286,
"spacegroup": 74
},
{
"id": "jvasp-43659",
"created_at": "2022-09-04T14:36:05.803939Z",
"updated_at": "2022-09-04T14:36:05.803966Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.929530 0.000000 0.000000\n0.000000 6.356285 0.000000\n0.000000 0.000000 9.404382\nLi Mn P O\n4 4 4 16\ndirect\n0.019490 0.250000 0.333045 Li\n0.480510 0.250000 0.833045 Li\n0.980510 0.750001 0.666955 Li\n0.519490 0.750001 0.166955 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.478528 0.750001 0.820329 P\n0.021472 0.750001 0.320329 P\n0.521472 0.250000 0.179671 P\n0.978528 0.250000 0.679671 P\n0.083572 0.750001 0.155323 O\n0.416428 0.750001 0.655323 O\n0.788633 0.750001 0.855285 O\n0.711367 0.750001 0.355285 O\n0.151446 0.548591 0.381040 O\n0.348554 0.548591 0.881040 O\n0.651446 0.451409 0.118960 O\n0.651446 0.048591 0.118960 O\n0.583572 0.250000 0.344677 O\n0.211367 0.250000 0.144715 O\n0.288633 0.250000 0.644715 O\n0.916428 0.250000 0.844677 O\n0.348554 0.951410 0.881040 O\n0.848554 0.048591 0.618960 O\n0.848554 0.451409 0.618960 O\n0.151446 0.951410 0.381040 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.535538750050014,
"density_atomic": 0.09502084630112227,
"volume": 294.67218078933587,
"volume_molar": 6.337704824176959,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5472509630541875,
"spacegroup": 62
},
{
"id": "jvasp-44721",
"created_at": "2022-09-04T14:38:09.969981Z",
"updated_at": "2022-09-04T14:38:09.969991Z",
"structure_string": "Li2 Mn2 Ni2 O8\n1.0\n5.766875 0.000000 0.000000\n2.883437 4.952762 0.039649\n2.883437 1.688303 4.656292\nLi Mn Ni O\n2 2 2 8\ndirect\n0.122077 0.127923 0.127923 Li\n0.877923 0.872076 0.872077 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000001 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265205 0.263033 0.263033 O\n0.266392 0.256306 0.710910 O\n0.266392 0.710910 0.256306 O\n0.708729 0.263033 0.263033 O\n0.291272 0.736966 0.736967 O\n0.733608 0.743693 0.289090 O\n0.733609 0.289089 0.743693 O\n0.734796 0.736966 0.736967 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.622474730888727,
"density_atomic": 0.10557528687281016,
"volume": 132.6067909895072,
"volume_molar": 5.704119721933657,
"formula_full": "Li2 Mn2 Ni2 O8",
"formula_reduced": "LiMnNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.3212176630541874,
"spacegroup": 74
}
]
}