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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3795",
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"results": [
{
"id": "jvasp-21802",
"created_at": "2022-09-04T14:38:20.550630Z",
"updated_at": "2022-09-04T14:38:20.550665Z",
"structure_string": "Tb2 Be26\n1.0\n6.243515 -0.000000 3.604695\n2.081172 5.886442 3.604695\n-0.000000 -0.000000 7.209390\nTb Be\n2 26\ndirect\n0.749999 0.750000 0.749999 Tb\n0.250000 0.250000 0.250000 Tb\n0.062899 0.289729 0.710270 Be\n0.710270 0.937100 0.062899 Be\n0.937100 0.710270 0.289729 Be\n0.210270 0.562899 0.437100 Be\n0.562899 0.437100 0.210270 Be\n0.437100 0.210270 0.562899 Be\n0.210270 0.437100 0.789729 Be\n0.210270 0.789729 0.562899 Be\n0.789729 0.437100 0.562899 Be\n0.289729 0.710270 0.062899 Be\n0.289729 0.937100 0.710270 Be\n0.937100 0.062899 0.710270 Be\n0.000000 0.000000 0.000000 Be\n0.710270 0.289729 0.937100 Be\n0.062899 0.937100 0.289729 Be\n0.937100 0.289729 0.062899 Be\n0.789729 0.562899 0.210270 Be\n0.562899 0.789729 0.437100 Be\n0.562899 0.210270 0.789729 Be\n0.437100 0.789729 0.210270 Be\n0.789729 0.210270 0.437100 Be\n0.437100 0.562899 0.789729 Be\n0.289729 0.062899 0.937100 Be\n0.500000 0.500000 0.500000 Be\n0.062899 0.710270 0.937100 Be\n0.710270 0.062899 0.289729 Be\n",
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"volume": 264.9601423651289,
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"formula_full": "Tb2 Be26",
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"spacegroup": 226
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{
"id": "jvasp-85686",
"created_at": "2022-09-04T14:36:02.609312Z",
"updated_at": "2022-09-04T14:36:02.609326Z",
"structure_string": "Na2 Zn1 H4 Se2 O10\n1.0\n5.718319 -0.007489 -1.803163\n-2.683877 6.545901 -1.110686\n-0.083518 0.000340 5.584505\nNa Zn H Se O\n2 1 4 2 10\ndirect\n0.723696 0.247627 0.346428 Na\n0.276303 0.752372 0.653573 Na\n0.000000 0.000000 0.000000 Zn\n0.871276 0.607841 0.853496 H\n0.128723 0.392159 0.146505 H\n0.154422 0.701474 0.078377 H\n0.845577 0.298526 0.921624 H\n0.661036 0.758760 0.324090 Se\n0.338963 0.241240 0.675911 Se\n0.641580 0.371568 0.716348 O\n0.358419 0.628432 0.283653 O\n0.175180 0.389574 0.655124 O\n0.824819 0.610425 0.344877 O\n0.652523 0.862777 0.070823 O\n0.773256 0.954916 0.594958 O\n0.347476 0.137223 0.929177 O\n0.037084 0.727898 0.925720 O\n0.226743 0.045083 0.405042 O\n0.962915 0.272102 0.074280 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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"Zn",
"H",
"Se",
"O"
],
"chemical_system": "H-Na-O-Se-Zn",
"density": 3.460433143321408,
"density_atomic": 0.09137174130133432,
"volume": 207.94175233390828,
"volume_molar": 6.590813170715023,
"formula_full": "Na2 Zn1 H4 Se2 O10",
"formula_reduced": "Na2ZnH4(SeO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.2064184280701755,
"spacegroup": 2
},
{
"id": "jvasp-87060",
"created_at": "2022-09-04T14:35:49.837406Z",
"updated_at": "2022-09-04T14:35:49.837424Z",
"structure_string": "Li3 La1 P2\n1.0\n4.225491 -0.000000 0.000000\n-2.112745 3.659383 0.000000\n-0.000000 0.000000 6.879779\nLi La P\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666666 0.333333 0.361222 Li\n0.333332 0.666667 0.638778 Li\n0.000000 0.000000 0.000000 La\n0.333332 0.666667 0.263192 P\n0.666666 0.333333 0.736808 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"La",
"P"
],
"chemical_system": "La-Li-P",
"density": 3.460255974794381,
"density_atomic": 0.056401637841878335,
"volume": 106.37988947804965,
"volume_molar": 10.677244474500965,
"formula_full": "Li3 La1 P2",
"formula_reduced": "Li3LaP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6503893333333337,
"spacegroup": 164
},
{
"id": "jvasp-70957",
"created_at": "2022-09-04T14:35:44.893229Z",
"updated_at": "2022-09-04T14:35:44.893259Z",
"structure_string": "Sr1 Be2 Zn1\n1.0\n4.391067 0.000000 0.000000\n0.000000 4.391067 0.000000\n0.000000 0.000000 4.257317\nSr Be Zn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Zn"
],
"chemical_system": "Be-Sr-Zn",
"density": 3.4602270801236945,
"density_atomic": 0.04872859336521402,
"volume": 82.08732745516697,
"volume_molar": 12.358536013680702,
"formula_full": "Sr1 Be2 Zn1",
"formula_reduced": "SrBe2Zn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6491485874999999,
"spacegroup": 123
},
{
"id": "jvasp-68725",
"created_at": "2022-09-04T14:36:04.026344Z",
"updated_at": "2022-09-04T14:36:04.026357Z",
"structure_string": "Be1 Cd1 Cl2\n1.0\n-1.912568 1.912568 6.308289\n1.912568 -1.912568 6.308289\n1.912568 1.912568 -6.308289\nBe Cd Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cl\n0.250000 0.750001 0.500000 Cl\n",
"nsites": 4,
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"elements": [
"Be",
"Cd",
"Cl"
],
"chemical_system": "Be-Cd-Cl",
"density": 3.4601022990288466,
"density_atomic": 0.04333658133262839,
"volume": 92.30077401117873,
"volume_molar": 13.896206333806704,
"formula_full": "Be1 Cd1 Cl2",
"formula_reduced": "BeCdCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0717474999999999,
"spacegroup": 119
},
{
"id": "jvasp-3753",
"created_at": "2022-09-04T14:35:56.536162Z",
"updated_at": "2022-09-04T14:35:56.536188Z",
"structure_string": "V2 Cl2 O2\n1.0\n3.339167 0.000000 0.000000\n0.000000 3.766677 0.000000\n0.000000 0.000000 7.814002\nV Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.617097 V\n0.000000 0.500000 0.382903 V\n0.500000 0.500000 0.168350 Cl\n0.000000 0.000000 0.831649 Cl\n0.000000 0.000000 0.451048 O\n0.500000 0.500000 0.548952 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"Cl",
"O"
],
"chemical_system": "Cl-O-V",
"density": 3.4600560970831142,
"density_atomic": 0.06104937362869725,
"volume": 98.28110664152011,
"volume_molar": 9.86437763739675,
"formula_full": "V2 Cl2 O2",
"formula_reduced": "VClO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.392330589166667,
"spacegroup": 59
},
{
"id": "jvasp-109459",
"created_at": "2022-09-04T14:38:05.365200Z",
"updated_at": "2022-09-04T14:38:05.365225Z",
"structure_string": "K2 In1 Ga1 F6\n1.0\n5.496954 -0.000000 3.173668\n1.832318 5.182578 3.173668\n-0.000000 -0.000000 6.347336\nK In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.266213 0.266213 0.733787 F\n0.266213 0.733787 0.733787 F\n0.733786 0.733787 0.266214 F\n0.266213 0.733787 0.266214 F\n0.733786 0.266213 0.733788 F\n0.733786 0.266213 0.266214 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Ga",
"F"
],
"chemical_system": "F-Ga-In-K",
"density": 3.459533825044695,
"density_atomic": 0.055301964822902366,
"volume": 180.82540162946742,
"volume_molar": 10.889560215961863,
"formula_full": "K2 In1 Ga1 F6",
"formula_reduced": "K2InGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112163",
"created_at": "2022-09-04T14:38:45.772730Z",
"updated_at": "2022-09-04T14:38:45.772757Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.699509 0.005965 1.263975\n1.878135 4.668641 0.532216\n0.026454 0.013021 5.972551\nCd H C O\n1 2 3 4\ndirect\n0.382450 0.739060 0.499778 Cd\n0.335996 0.054255 0.946244 H\n0.098217 0.423452 0.052987 H\n0.894032 0.322940 0.792790 C\n0.770718 0.155372 0.206435 C\n0.060241 0.238975 0.999603 C\n0.460183 0.347787 0.326821 O\n0.849604 0.887045 0.243167 O\n0.741657 0.591340 0.756034 O\n0.895938 0.130806 0.672398 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.459484361325839,
"density_atomic": 0.09714554707588134,
"volume": 102.9383260582073,
"volume_molar": 6.199090891213003,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624824375,
"spacegroup": 5
},
{
"id": "jvasp-90593",
"created_at": "2022-09-04T14:35:47.565978Z",
"updated_at": "2022-09-04T14:35:47.566002Z",
"structure_string": "Mg4 Ga4\n1.0\n5.651801 0.000000 0.000000\n-0.000000 5.651801 0.000000\n-0.000000 -0.000000 5.651801\nMg Ga\n4 4\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 8,
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"elements": [
"Mg",
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],
"chemical_system": "Ga-Mg",
"density": 3.459439195345027,
"density_atomic": 0.04431282127074576,
"volume": 180.53465725237865,
"volume_molar": 13.59006397540224,
"formula_full": "Mg4 Ga4",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.3231355,
"spacegroup": 225
},
{
"id": "jvasp-14918",
"created_at": "2022-09-04T14:36:19.949228Z",
"updated_at": "2022-09-04T14:36:19.949249Z",
"structure_string": "Li2 Pr1 P2\n1.0\n2.093064 -3.625295 0.000000\n2.093064 3.625295 -0.000000\n-0.000000 0.000000 6.855257\nLi Pr P\n2 1 2\ndirect\n0.666666 0.333332 0.378991 Li\n0.333332 0.666666 0.621009 Li\n0.000000 0.000000 0.000000 Pr\n0.666666 0.333332 0.751831 P\n0.333332 0.666666 0.248169 P\n",
"nsites": 5,
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"elements": [
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"Pr",
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],
"chemical_system": "Li-P-Pr",
"density": 3.4594169355769804,
"density_atomic": 0.048060734935973425,
"volume": 104.0350299815641,
"volume_molar": 12.530271890395984,
"formula_full": "Li2 Pr1 P2",
"formula_reduced": "Li2PrP2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.73508617,
"spacegroup": 164
},
{
"id": "jvasp-86079",
"created_at": "2022-09-04T14:35:57.614198Z",
"updated_at": "2022-09-04T14:35:57.614214Z",
"structure_string": "K4 Ga6\n1.0\n5.749257 -0.000000 -2.200643\n-0.842340 5.687215 -2.200643\n-0.049207 -0.057032 8.481834\nK Ga\n4 6\ndirect\n0.390426 0.390426 0.780853 K\n0.250000 0.750000 0.500000 K\n0.609574 0.609573 0.219147 K\n0.750000 0.250000 0.500000 K\n-0.000000 0.294802 0.000000 Ga\n0.143250 0.143250 0.286498 Ga\n0.294802 0.000000 0.000000 Ga\n-0.000000 0.705197 0.000000 Ga\n0.856750 0.856750 0.713501 Ga\n0.705198 0.000000 0.000000 Ga\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-K",
"density": 3.459222940410841,
"density_atomic": 0.036246383482529315,
"volume": 275.88959336646593,
"volume_molar": 16.614459654720203,
"formula_full": "K4 Ga6",
"formula_reduced": "K2Ga3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.163336342344337e-17,
"spacegroup": 139
},
{
"id": "jvasp-56211",
"created_at": "2022-09-04T14:37:29.725000Z",
"updated_at": "2022-09-04T14:37:29.725025Z",
"structure_string": "K2 Sr1 Nb6 Cl18\n1.0\n8.296865 -0.002553 5.939972\n3.051348 7.715389 5.939973\n-0.003757 -0.002553 10.203981\nK Sr Nb Cl\n2 1 6 18\ndirect\n0.221447 0.221447 0.221447 K\n0.778552 0.778554 0.778553 K\n0.499999 0.500000 0.500000 Sr\n0.148689 0.787658 0.925556 Nb\n0.074444 0.851310 0.212342 Nb\n0.851310 0.212343 0.074444 Nb\n0.212342 0.074444 0.851310 Nb\n0.787657 0.925556 0.148689 Nb\n0.925555 0.148691 0.787658 Nb\n0.841758 0.334278 0.512272 Cl\n0.337624 0.915445 0.076406 Cl\n0.575273 0.161815 0.263393 Cl\n0.334276 0.512273 0.841759 Cl\n0.915443 0.076407 0.337624 Cl\n0.424726 0.838186 0.736606 Cl\n0.161814 0.263394 0.575274 Cl\n0.736606 0.424727 0.838185 Cl\n0.263393 0.575274 0.161814 Cl\n0.158241 0.665723 0.487727 Cl\n0.662375 0.084556 0.923594 Cl\n0.512272 0.841760 0.334277 Cl\n0.923593 0.662376 0.084555 Cl\n0.076406 0.337625 0.915444 Cl\n0.084555 0.923594 0.662375 Cl\n0.487727 0.158241 0.665723 Cl\n0.838185 0.736607 0.424726 Cl\n0.665722 0.487728 0.158241 Cl\n",
"nsites": 27,
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"elements": [
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"Nb",
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],
"chemical_system": "Cl-K-Nb-Sr",
"density": 3.4592024712964737,
"density_atomic": 0.04131445900224544,
"volume": 653.5242298230881,
"volume_molar": 14.576351489130468,
"formula_full": "K2 Sr1 Nb6 Cl18",
"formula_reduced": "K2Sr(NbCl3)6",
"formula_anonymous": "AB2C6D18",
"energy_above_hull": 1.4757015527777773,
"spacegroup": 148
}
]
}