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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=89",
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"results": [
{
"id": "jvasp-19258",
"created_at": "2022-09-04T14:38:32.023097Z",
"updated_at": "2022-09-04T14:38:32.023132Z",
"structure_string": "Zn6 Sn4 O14\n1.0\n5.362926 -0.000000 -0.000000\n-0.000000 5.211227 -1.405645\n0.000000 -0.125672 9.896849\nZn Sn O\n6 4 14\ndirect\n0.728097 0.745070 0.000000 Zn\n0.228097 0.254931 0.000000 Zn\n0.790793 0.572726 0.590335 Zn\n0.290793 0.427275 0.409666 Zn\n0.790793 0.982391 0.409666 Zn\n0.290793 0.017610 0.590334 Zn\n0.755783 0.356529 0.207613 Sn\n0.255783 0.643472 0.792388 Sn\n0.255783 0.851085 0.207613 Sn\n0.755783 0.148916 0.792387 Sn\n0.353546 0.620574 0.000000 O\n0.853546 0.379426 0.000000 O\n0.426999 0.156742 0.148765 O\n0.926999 0.843259 0.851235 O\n0.082798 0.552820 0.272243 O\n0.582798 0.447181 0.727757 O\n0.162808 0.074299 0.411170 O\n0.082798 0.280577 0.727757 O\n0.662809 0.336872 0.411170 O\n0.162808 0.663129 0.588831 O\n0.926999 0.992024 0.148766 O\n0.662809 0.925702 0.588831 O\n0.582798 0.719424 0.272243 O\n0.426999 0.007977 0.851235 O\n",
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"volume": 275.64408084017134,
"volume_molar": 6.916531060334711,
"formula_full": "Zn6 Sn4 O14",
"formula_reduced": "Zn3Sn2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.181994091666667,
"spacegroup": 36
},
{
"id": "jvasp-10591",
"created_at": "2022-09-04T14:38:34.488150Z",
"updated_at": "2022-09-04T14:38:34.488167Z",
"structure_string": "Zn6 S6\n1.0\n1.919970 -3.325485 0.000000\n1.919970 3.325485 -0.000000\n0.000000 -0.000000 18.852504\nZn S\n6 6\ndirect\n0.333333 0.666667 0.166713 Zn\n0.666667 0.333333 0.666713 Zn\n0.666667 0.333333 0.333117 Zn\n0.333333 0.666667 0.833117 Zn\n0.000000 0.000000 0.499969 Zn\n0.000000 0.000000 0.999969 Zn\n0.333333 0.666667 0.041927 S\n0.666667 0.333333 0.541926 S\n0.666667 0.333333 0.208364 S\n0.333333 0.666667 0.708364 S\n0.000000 0.000000 0.374909 S\n0.000000 0.000000 0.874909 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"S"
],
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"density": 4.034044298247595,
"density_atomic": 0.04984628229993184,
"volume": 240.74012035229373,
"volume_molar": 12.081424094507113,
"formula_full": "Zn6 S6",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.000565,
"spacegroup": 186
},
{
"id": "jvasp-19686",
"created_at": "2022-09-04T14:38:32.248954Z",
"updated_at": "2022-09-04T14:38:32.248985Z",
"structure_string": "Zn6 Ru2\n1.0\n3.683910 0.000000 -0.867719\n-0.204385 3.678236 -0.867719\n0.001493 0.001578 8.260230\nZn Ru\n6 2\ndirect\n0.629090 0.629091 0.258180 Zn\n0.370908 0.370910 0.741820 Zn\n0.500000 -0.000000 -0.000000 Zn\n-0.000001 0.500001 -0.000000 Zn\n0.749999 0.250001 0.500000 Zn\n0.249999 0.750001 0.500000 Zn\n0.882668 0.882671 0.765339 Ru\n0.117330 0.117330 0.234661 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Ru"
],
"chemical_system": "Ru-Zn",
"density": 8.82042947702015,
"density_atomic": 0.07146774826873453,
"volume": 111.938604388629,
"volume_molar": 8.426375401328471,
"formula_full": "Zn6 Ru2",
"formula_reduced": "Zn3Ru",
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"spacegroup": 139
},
{
"id": "jvasp-37553",
"created_at": "2022-09-04T14:37:54.689511Z",
"updated_at": "2022-09-04T14:37:54.689534Z",
"structure_string": "Zn6 Rh2\n1.0\n2.712852 -4.698797 0.000000\n2.712852 4.698797 -0.000000\n0.000000 0.000000 4.401445\nZn Rh\n6 2\ndirect\n0.662029 0.831015 0.250000 Zn\n0.168984 0.831015 0.250000 Zn\n0.168985 0.337971 0.250000 Zn\n0.337971 0.168985 0.750001 Zn\n0.831015 0.168984 0.750001 Zn\n0.831015 0.662029 0.750001 Zn\n0.333333 0.666667 0.750001 Rh\n0.666667 0.333333 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 8.853288863437115,
"density_atomic": 0.07129382697364346,
"volume": 112.21167862061202,
"volume_molar": 8.446931544615103,
"formula_full": "Zn6 Rh2",
"formula_reduced": "Zn3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0032249999999999,
"spacegroup": 194
},
{
"id": "jvasp-59103",
"created_at": "2022-09-04T14:38:29.035755Z",
"updated_at": "2022-09-04T14:38:29.035766Z",
"structure_string": "Zn6 P4 S16\n1.0\n7.795668 0.000000 -0.000000\n0.000000 7.795668 0.000000\n-0.000000 0.000000 9.207524\nZn P S\n6 4 16\ndirect\n0.000000 0.500000 0.484100 Zn\n0.500000 0.000000 0.515900 Zn\n0.000000 0.500000 0.015900 Zn\n0.500000 0.000000 0.984100 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.243512 0.256488 0.250000 P\n0.256488 0.756488 0.750000 P\n0.756488 0.743512 0.250000 P\n0.743512 0.243512 0.750000 P\n0.233535 0.969721 0.874849 S\n0.530279 0.266465 0.625150 S\n0.469721 0.733535 0.625150 S\n0.266465 0.469721 0.374850 S\n0.733535 0.530279 0.374850 S\n0.030279 0.233535 0.125150 S\n0.766465 0.030279 0.874849 S\n0.747907 0.982304 0.359329 S\n0.982304 0.252093 0.640670 S\n0.017696 0.747907 0.640670 S\n0.252093 0.017696 0.359329 S\n0.517696 0.752093 0.140671 S\n0.247907 0.517696 0.859329 S\n0.482304 0.247907 0.140671 S\n0.969721 0.766465 0.125150 S\n0.752093 0.482304 0.859329 S\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "P-S-Zn",
"density": 3.054774177860576,
"density_atomic": 0.04646477280974751,
"volume": 559.5636958445571,
"volume_molar": 12.960659002160577,
"formula_full": "Zn6 P4 S16",
"formula_reduced": "Zn3(PS4)2",
"formula_anonymous": "A2B3C8",
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"spacegroup": 118
},
{
"id": "jvasp-39018",
"created_at": "2022-09-04T14:37:55.971903Z",
"updated_at": "2022-09-04T14:37:55.971931Z",
"structure_string": "Zn6 P4 O16\n1.0\n0.000000 4.930331 0.039510\n9.314353 0.000000 0.000000\n0.000000 -4.899345 -6.524862\nZn P O\n6 4 16\ndirect\n0.832547 0.370621 0.840851 Zn\n0.167451 0.870621 0.659149 Zn\n0.167452 0.629379 0.159149 Zn\n0.832548 0.129379 0.340851 Zn\n0.000000 0.000000 0.000000 Zn\n-0.000001 0.500000 0.500000 Zn\n0.661641 0.816286 0.160649 P\n0.338358 0.316287 0.339351 P\n0.661641 0.683713 0.660649 P\n0.338357 0.183713 0.839351 P\n0.941221 0.678134 0.626899 O\n0.680680 0.120972 0.031668 O\n0.319319 0.620972 0.468331 O\n0.941222 0.821865 0.126899 O\n0.058777 0.321865 0.373101 O\n0.058776 0.178135 0.873101 O\n0.779769 0.912671 0.348248 O\n0.395209 0.159791 0.304556 O\n0.220230 0.087328 0.651752 O\n0.779768 0.587328 0.848248 O\n0.604790 0.659791 0.195444 O\n0.680679 0.379027 0.531668 O\n0.395209 0.340209 0.804556 O\n0.604789 0.840209 0.695444 O\n0.220230 0.412671 0.151752 O\n0.319319 0.879027 0.968331 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Zn",
"density": 4.306043018301349,
"density_atomic": 0.08729601064977222,
"volume": 297.83720706677957,
"volume_molar": 6.898529171236205,
"formula_full": "Zn6 P4 O16",
"formula_reduced": "Zn3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7814954,
"spacegroup": 14
},
{
"id": "jvasp-58377",
"created_at": "2022-09-04T14:37:28.244037Z",
"updated_at": "2022-09-04T14:37:28.244057Z",
"structure_string": "Zn6 P4\n1.0\n5.730438 0.000000 0.000000\n0.000000 5.730438 -0.000000\n0.000000 0.000000 5.730438\nZn P\n6 4\ndirect\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 10,
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],
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"density": 4.556475336786148,
"density_atomic": 0.05314183489513701,
"volume": 188.17566272848242,
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"formula_full": "Zn6 P4",
"formula_reduced": "Zn3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.2568504400000001,
"spacegroup": 224
},
{
"id": "jvasp-39058",
"created_at": "2022-09-04T14:38:29.938433Z",
"updated_at": "2022-09-04T14:38:29.938459Z",
"structure_string": "Zn6 Mo4 O18\n1.0\n0.000000 7.817503 0.149818\n7.167960 0.000000 0.000000\n0.000000 -3.774702 -7.508180\nZn Mo O\n6 4 18\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.155863 0.250000 0.798934 Zn\n0.844137 0.750000 0.201066 Zn\n0.341584 0.250000 0.242204 Zn\n0.658416 0.750000 0.757795 Zn\n0.445857 0.750000 0.278204 Mo\n0.554143 0.250000 0.721796 Mo\n0.844869 0.250000 0.302764 Mo\n0.155131 0.750000 0.697236 Mo\n0.569156 0.750000 0.146439 O\n0.884148 0.450547 0.197510 O\n0.115851 0.950547 0.802490 O\n0.115851 0.549453 0.802490 O\n0.884148 0.049453 0.197510 O\n0.618497 0.750000 0.507577 O\n0.381503 0.250000 0.492422 O\n0.430844 0.250000 0.853560 O\n0.993230 0.750000 0.464681 O\n0.293500 0.950854 0.225391 O\n0.293500 0.549146 0.225391 O\n0.706500 0.049146 0.774609 O\n0.104497 0.250000 0.008371 O\n0.006770 0.250000 0.535318 O\n0.393131 0.750000 0.723424 O\n0.606868 0.250000 0.276575 O\n0.706500 0.450854 0.774609 O\n0.895502 0.750000 0.991628 O\n",
"nsites": 28,
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 4.241114455362384,
"density_atomic": 0.06719924077207251,
"volume": 416.6713742342843,
"volume_molar": 8.961620236791063,
"formula_full": "Zn6 Mo4 O18",
"formula_reduced": "Zn3Mo2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.4182788928571424,
"spacegroup": 11
},
{
"id": "jvasp-109096",
"created_at": "2022-09-04T14:38:46.204337Z",
"updated_at": "2022-09-04T14:38:46.204361Z",
"structure_string": "Zn6 In2\n1.0\n7.219524 0.011275 0.000000\n-5.271985 4.932325 0.000000\n-0.000000 0.000000 4.242928\nZn In\n6 2\ndirect\n0.877224 0.122777 0.750000 Zn\n0.324158 0.195379 0.750000 Zn\n0.804621 0.675842 0.750000 Zn\n0.122777 0.877223 0.250000 Zn\n0.675842 0.804621 0.250000 Zn\n0.195379 0.324158 0.250000 Zn\n0.708637 0.291364 0.250000 In\n0.291363 0.708636 0.750000 In\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.05286152869434836,
"volume": 151.33879396974973,
"volume_molar": 11.3922939966809,
"formula_full": "Zn6 In2",
"formula_reduced": "Zn3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-39637",
"created_at": "2022-09-04T14:37:55.072423Z",
"updated_at": "2022-09-04T14:37:55.072437Z",
"structure_string": "Zn6 Hg2\n1.0\n3.101529 -5.372007 0.000000\n3.101529 5.372007 -0.000000\n0.000000 -0.000000 4.295919\nZn Hg\n6 2\ndirect\n0.689597 0.844799 0.750000 Zn\n0.155201 0.310403 0.750000 Zn\n0.155201 0.844799 0.750000 Zn\n0.310403 0.155201 0.250000 Zn\n0.844799 0.689597 0.250000 Zn\n0.844799 0.155201 0.250000 Zn\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
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],
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"density": 9.205997797122514,
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"volume": 143.15235465230538,
"volume_molar": 10.776045373020299,
"formula_full": "Zn6 Hg2",
"formula_reduced": "Zn3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-119228",
"created_at": "2022-09-04T14:38:49.923527Z",
"updated_at": "2022-09-04T14:38:49.923540Z",
"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ga",
"N"
],
"chemical_system": "Ga-N-Zn",
"density": 5.959102113085567,
"density_atomic": 0.08245573923334838,
"volume": 218.29893428109713,
"volume_molar": 7.303482833326425,
"formula_full": "Zn6 Ga4 N8",
"formula_reduced": "Zn3(GaN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9622732055555556,
"spacegroup": 15
},
{
"id": "jvasp-19306",
"created_at": "2022-09-04T14:38:35.916526Z",
"updated_at": "2022-09-04T14:38:35.916555Z",
"structure_string": "Zn6 Cr4 O14\n1.0\n5.098859 0.000000 0.000000\n-0.000000 4.923794 -1.328114\n0.000000 -0.077150 9.505162\nZn Cr O\n6 4 14\ndirect\n0.718596 0.744945 0.000000 Zn\n0.218596 0.255054 0.000000 Zn\n0.793545 0.571215 0.600896 Zn\n0.293545 0.428785 0.399104 Zn\n0.793545 0.970317 0.399104 Zn\n0.293545 0.029683 0.600896 Zn\n0.754105 0.352768 0.202961 Cr\n0.254105 0.647231 0.797039 Cr\n0.254105 0.850193 0.202962 Cr\n0.754105 0.149806 0.797039 Cr\n0.319426 0.637092 0.000000 O\n0.819426 0.362907 0.000000 O\n0.437090 0.148143 0.154170 O\n0.937090 0.851857 0.845830 O\n0.071806 0.552092 0.254243 O\n0.571806 0.447908 0.745757 O\n0.184445 0.054462 0.404093 O\n0.071806 0.297849 0.745757 O\n0.684445 0.349632 0.404094 O\n0.184445 0.650367 0.595907 O\n0.937090 0.006027 0.154170 O\n0.684445 0.945537 0.595907 O\n0.571806 0.702150 0.254243 O\n0.437090 -0.006026 0.845830 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 5.749397577745836,
"density_atomic": 0.10079307597351966,
"volume": 238.1115941565795,
"volume_molar": 5.974756402495481,
"formula_full": "Zn6 Cr4 O14",
"formula_reduced": "Zn3Cr2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.061978375,
"spacegroup": 36
}
]
}