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{
"id": "jvasp-42966",
"created_at": "2022-09-04T14:37:27.659479Z",
"updated_at": "2022-09-04T14:37:27.659507Z",
"structure_string": "Mn1 V1 P4 O14\n1.0\n4.771220 -0.076638 -0.080423\n2.070830 6.589824 -0.137638\n0.035519 0.182731 7.838893\nMn V P O\n1 1 4 14\ndirect\n0.783557 0.728010 0.006045 Mn\n0.217966 0.271782 0.505749 V\n0.398058 0.494234 0.183704 P\n0.217746 0.896663 0.777387 P\n0.766517 0.098841 0.267576 P\n0.613837 0.509468 0.690217 P\n0.854728 0.469054 0.559113 O\n0.725736 0.516174 0.873184 O\n0.607267 0.626744 0.188310 O\n0.410221 0.899498 0.935768 O\n0.402186 0.729565 0.647042 O\n0.579639 0.266478 0.135787 O\n0.283285 0.482671 0.363285 O\n0.432235 0.359167 0.681912 O\n0.873778 0.907961 0.164048 O\n0.160997 0.549394 0.046146 O\n0.140522 0.090677 0.673104 O\n0.026933 0.170966 0.326023 O\n0.574047 0.084410 0.419550 O\n0.936055 0.843628 0.819608 O\n",
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"formula_full": "Mn1 V1 P4 O14",
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"spacegroup": 1
},
{
"id": "jvasp-116538",
"created_at": "2022-09-04T14:38:43.167620Z",
"updated_at": "2022-09-04T14:38:43.167640Z",
"structure_string": "Mn4 V4 Ga4 Co4\n1.0\n5.733132 -0.000000 0.000000\n0.000000 5.733132 0.000000\n0.000000 -0.000000 5.733132\nMn V Ga Co\n4 4 4 4\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.257682 0.257682 0.257682 V\n0.742317 0.742317 0.257682 V\n0.257682 0.742317 0.742317 V\n0.742317 0.257682 0.742317 V\n0.754085 0.754085 0.754085 Ga\n0.245914 0.245914 0.754085 Ga\n0.245914 0.754085 0.245914 Ga\n0.754085 0.245914 0.245914 Ga\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Co-Ga-Mn-V",
"density": 8.266892647957727,
"density_atomic": 0.08490712961873526,
"volume": 188.4411835831217,
"volume_molar": 7.092620828241001,
"formula_full": "Mn4 V4 Ga4 Co4",
"formula_reduced": "MnVGaCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.7775836665948272,
"spacegroup": 215
},
{
"id": "jvasp-102713",
"created_at": "2022-09-04T14:36:48.881355Z",
"updated_at": "2022-09-04T14:36:48.881384Z",
"structure_string": "Mn3 V2 Ga2 Co1\n1.0\n4.071430 -0.000000 0.000000\n-2.035715 3.324661 1.174324\n0.000000 -0.000968 7.060645\nMn V Ga Co\n3 2 2 1\ndirect\n0.500395 0.000790 0.498814 Mn\n0.249219 0.498440 0.252341 Mn\n0.750148 0.500298 0.749552 Mn\n0.873680 0.747361 0.378957 V\n0.376843 0.753686 0.869470 V\n0.625917 0.251834 0.122249 Ga\n0.123976 0.247953 0.628070 Ga\n0.999816 0.999634 0.000547 Co\n",
"nsites": 8,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Ga-Mn-V",
"density": 8.080041405438285,
"density_atomic": 0.083700921450022,
"volume": 95.57839819931752,
"volume_molar": 7.194832094645259,
"formula_full": "Mn3 V2 Ga2 Co1",
"formula_reduced": "Mn3V2Ga2Co",
"formula_anonymous": "AB2C2D3",
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"spacegroup": 160
},
{
"id": "jvasp-120412",
"created_at": "2022-09-04T14:38:53.991911Z",
"updated_at": "2022-09-04T14:38:53.991941Z",
"structure_string": "Mn1 V4 Cu3 O12\n1.0\n5.941513 -0.000000 -2.100642\n-2.970756 5.145501 -2.100642\n-0.000000 -0.000000 6.301926\nMn V Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.500000 0.000000 V\n0.499999 0.500000 0.500000 V\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.884450 0.701665 0.182786 O\n0.518879 0.701665 0.817215 O\n0.182785 0.481120 0.298335 O\n0.817214 0.115549 0.298335 O\n0.182785 0.884451 0.701666 O\n0.701665 0.182786 0.884452 O\n0.298335 0.182786 0.481121 O\n0.298334 0.817214 0.115549 O\n0.115549 0.298335 0.817215 O\n0.701664 0.817214 0.518880 O\n0.817214 0.518880 0.701666 O\n0.481120 0.298335 0.182786 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.52759119397715,
"density_atomic": 0.10380827583248017,
"volume": 192.6628666126278,
"volume_molar": 5.801214509831746,
"formula_full": "Mn1 V4 Cu3 O12",
"formula_reduced": "MnV4(CuO4)3",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 204
},
{
"id": "jvasp-96080",
"created_at": "2022-09-04T14:36:09.587553Z",
"updated_at": "2022-09-04T14:36:09.587579Z",
"structure_string": "Mn2 V2 Cu2 O8\n1.0\n5.237649 0.048967 0.000000\n-2.033740 4.826931 -0.000000\n-0.000000 0.000000 6.352399\nMn V Cu O\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.358099 0.641901 0.750000 V\n0.641902 0.358099 0.250000 V\n0.668963 0.331037 0.750000 Cu\n0.331037 0.668963 0.250000 Cu\n0.239838 0.760162 0.971082 O\n0.760163 0.239838 0.471082 O\n0.760163 0.239838 0.028918 O\n0.239838 0.760162 0.528918 O\n0.227943 0.270872 0.750000 O\n0.772057 0.729128 0.250000 O\n0.729128 0.772057 0.750000 O\n0.270872 0.227943 0.250000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cu-Mn-O-V",
"density": 4.808065904565183,
"density_atomic": 0.08683112709092367,
"volume": 161.2325034700995,
"volume_molar": 6.935463078458054,
"formula_full": "Mn2 V2 Cu2 O8",
"formula_reduced": "MnVCuO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-101148",
"created_at": "2022-09-04T14:36:50.965749Z",
"updated_at": "2022-09-04T14:36:50.965766Z",
"structure_string": "Mn1 V1 Cr2 Te4\n1.0\n4.135045 -0.000000 0.000000\n0.000000 6.077543 0.037852\n0.000000 -0.015725 7.121938\nMn V Cr Te\n1 1 2 4\ndirect\n0.499999 0.499999 0.500000 Mn\n-0.000000 0.500000 -0.000000 V\n0.000000 0.000000 0.000000 Cr\n0.499999 -0.000000 0.500000 Cr\n0.499999 0.750033 0.835883 Te\n-0.000000 0.752015 0.331342 Te\n-0.000000 0.247984 0.668658 Te\n0.499999 0.249965 0.164117 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Cr",
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],
"chemical_system": "Cr-Mn-Te-V",
"density": 6.682408714077174,
"density_atomic": 0.04469691466898261,
"volume": 178.98327119996034,
"volume_molar": 13.47328066064269,
"formula_full": "Mn1 V1 Cr2 Te4",
"formula_reduced": "MnV(CrTe2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 3.1735321635057474,
"spacegroup": 10
},
{
"id": "jvasp-105442",
"created_at": "2022-09-04T14:36:52.920789Z",
"updated_at": "2022-09-04T14:36:52.920814Z",
"structure_string": "Mn1 V1 Co4 Si2\n1.0\n3.823839 -0.000799 5.757076\n1.737134 3.406481 5.757076\n-0.001304 -0.000799 6.911270\nMn V Co Si\n1 1 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.499999 0.500001 V\n0.624382 0.624381 0.624383 Co\n0.125413 0.125413 0.125413 Co\n0.874588 0.874586 0.874588 Co\n0.375619 0.375618 0.375619 Co\n0.250530 0.250529 0.250530 Si\n0.749471 0.749469 0.749471 Si\n",
"nsites": 8,
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"elements": [
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"Si"
],
"chemical_system": "Co-Mn-Si-V",
"density": 7.333584764699667,
"density_atomic": 0.08881997201602147,
"volume": 90.06983247593175,
"volume_molar": 6.780165117496003,
"formula_full": "Mn1 V1 Co4 Si2",
"formula_reduced": "MnV(Co2Si)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.030857780172414,
"spacegroup": 166
},
{
"id": "jvasp-86623",
"created_at": "2022-09-04T14:36:11.104277Z",
"updated_at": "2022-09-04T14:36:11.104298Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071001 0.015898 -1.672009\n-1.520523 6.324554 -2.366871\n-0.047162 -0.004790 6.978407\nMn V Bi O\n2 2 2 10\ndirect\n0.324567 0.361722 0.224961 Mn\n0.675434 0.638278 0.775039 Mn\n0.654958 0.182086 0.885163 V\n0.345043 0.817913 0.114838 V\n0.089288 0.758457 0.524713 Bi\n0.910712 0.241542 0.475287 Bi\n0.228600 0.649601 0.224797 O\n0.429321 0.086137 0.293957 O\n0.632548 0.757811 0.073480 O\n0.570679 0.913862 0.706043 O\n0.727929 0.500436 0.444630 O\n0.771400 0.350399 0.775203 O\n0.915725 0.217086 0.132916 O\n0.084276 0.782914 0.867084 O\n0.367453 0.242188 0.926520 O\n0.272071 0.499564 0.555370 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "Bi-Mn-O-V",
"density": 5.869644903035299,
"density_atomic": 0.07161647432491902,
"volume": 223.4122825903032,
"volume_molar": 8.408876332948145,
"formula_full": "Mn2 V2 Bi2 O10",
"formula_reduced": "MnVBiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-86025",
"created_at": "2022-09-04T14:36:06.348479Z",
"updated_at": "2022-09-04T14:36:06.348489Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071000 0.015877 -1.672564\n-1.520114 6.324857 -2.366398\n-0.048005 -0.004578 6.978113\nMn V Bi O\n2 2 2 10\ndirect\n0.324533 0.361696 0.224934 Mn\n0.675469 0.638305 0.775066 Mn\n0.654902 0.182090 0.885174 V\n0.345100 0.817911 0.114827 V\n0.089230 0.758414 0.524609 Bi\n0.910772 0.241587 0.475391 Bi\n0.228614 0.649589 0.224760 O\n0.429389 0.086113 0.293951 O\n0.632609 0.757791 0.073511 O\n0.570613 0.913888 0.706050 O\n0.727925 0.500445 0.444635 O\n0.771388 0.350412 0.775240 O\n0.915694 0.217065 0.132953 O\n0.084309 0.782936 0.867047 O\n0.367393 0.242210 0.926489 O\n0.272077 0.499556 0.555365 O\n",
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"elements": [
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],
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"density_atomic": 0.07161808071337719,
"volume": 223.40727146868986,
"volume_molar": 8.408687722449889,
"formula_full": "Mn2 V2 Bi2 O10",
"formula_reduced": "MnVBiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-57445",
"created_at": "2022-09-04T14:38:32.065194Z",
"updated_at": "2022-09-04T14:38:32.065223Z",
"structure_string": "Mn4 V4 Ag4 O16\n1.0\n5.377234 0.000000 0.000000\n-0.000000 6.757470 0.000000\n0.000000 0.000000 9.572377\nMn V Ag O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.978199 0.750000 0.678105 V\n0.478200 0.250000 0.821895 V\n0.021800 0.250000 0.321895 V\n0.521799 0.750000 0.178105 V\n0.503102 0.750000 0.847254 Ag\n0.003102 0.250000 0.652747 Ag\n0.496898 0.250000 0.152747 Ag\n0.996897 0.750000 0.347254 Ag\n0.684848 0.548338 0.113517 O\n0.184848 0.451662 0.386483 O\n0.684848 0.951662 0.113517 O\n0.184848 0.048338 0.386483 O\n0.315152 0.451662 0.886483 O\n0.815151 0.548338 0.613517 O\n0.211394 0.750000 0.116691 O\n0.437437 0.250000 0.635188 O\n0.788605 0.250000 0.883309 O\n0.288606 0.750000 0.616691 O\n0.562562 0.750000 0.364813 O\n0.062563 0.250000 0.135188 O\n0.815151 0.951662 0.613517 O\n0.937436 0.750000 0.864813 O\n0.711394 0.250000 0.383309 O\n0.315152 0.048338 0.886483 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.08049986915022779,
"volume": 347.8266523358786,
"volume_molar": 7.480932358736585,
"formula_full": "Mn4 V4 Ag4 O16",
"formula_reduced": "MnVAgO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.675513243054187,
"spacegroup": 62
},
{
"id": "jvasp-56339",
"created_at": "2022-09-04T14:37:32.054613Z",
"updated_at": "2022-09-04T14:37:32.054646Z",
"structure_string": "Mn1 Tl2 Sn1 Te4\n1.0\n6.800413 -0.054485 -1.812134\n-4.026837 5.480253 -1.812134\n0.027852 0.054485 7.037661\nMn Tl Sn Te\n1 2 1 4\ndirect\n0.500000 0.500000 0.000001 Mn\n0.500000 -0.000000 0.500000 Tl\n-0.000001 0.499999 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.078735 0.078735 0.645109 Te\n0.921264 0.566374 0.000001 Te\n0.433626 0.433626 0.354891 Te\n0.566373 0.921264 0.000001 Te\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.92397600453327,
"density_atomic": 0.030524596882627906,
"volume": 262.08372319416094,
"volume_molar": 19.728813399751424,
"formula_full": "Mn1 Tl2 Sn1 Te4",
"formula_reduced": "MnTl2SnTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9961019010057472,
"spacegroup": 121
},
{
"id": "jvasp-117156",
"created_at": "2022-09-04T14:38:48.816973Z",
"updated_at": "2022-09-04T14:38:48.816991Z",
"structure_string": "Mn4 Tl4 O4 F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n",
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"elements": [
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],
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"density_atomic": 0.07043857533280128,
"volume": 397.50945937944294,
"volume_molar": 8.549492563623243,
"formula_full": "Mn4 Tl4 O4 F16",
"formula_reduced": "MnTlOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.6000934959113303,
"spacegroup": 12
}
]
}