HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=28",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=26",
"results": [
{
"id": "jvasp-120957",
"created_at": "2022-09-04T14:38:54.850084Z",
"updated_at": "2022-09-04T14:38:54.850124Z",
"structure_string": "Ca1 Te3\n1.0\n5.454371 -0.617117 -0.585761\n1.344454 -4.241481 0.015458\n0.870753 0.247616 -6.497921\nCa Te\n1 3\ndirect\n0.124463 0.933357 0.766809 Ca\n0.791894 0.601939 0.571427 Te\n0.124406 0.010066 0.266751 Te\n0.456645 0.268231 0.962841 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.926095568008081,
"density_atomic": 0.028060708684782495,
"volume": 142.54807478077794,
"volume_molar": 21.461114284921273,
"formula_full": "Ca1 Te3",
"formula_reduced": "CaTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7481688833333333,
"spacegroup": 5
},
{
"id": "jvasp-122068",
"created_at": "2022-09-04T14:38:54.848396Z",
"updated_at": "2022-09-04T14:38:54.848422Z",
"structure_string": "Tb6 Ga4 Ni12\n1.0\n7.243127 -0.000000 -2.560832\n-3.621563 6.272732 -2.560832\n-0.000000 -0.000000 7.682496\nTb Ga Ni\n6 4 12\ndirect\n0.709556 0.709555 0.000000 Tb\n0.290445 0.000000 0.290445 Tb\n0.000000 0.290444 0.290445 Tb\n0.290445 0.290444 0.000000 Tb\n0.709556 0.000000 0.709556 Tb\n0.000000 0.709555 0.709556 Tb\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Ga\n0.663353 0.663353 0.326706 Ni\n0.673295 0.336647 0.336648 Ni\n0.336647 0.000000 0.663353 Ni\n0.336648 0.663353 0.000000 Ni\n0.000000 0.336647 0.663353 Ni\n0.336648 0.336647 0.673295 Ni\n0.663353 0.336647 0.000000 Ni\n0.000000 0.663353 0.336648 Ni\n0.663353 0.000000 0.336648 Ni\n0.663353 0.326705 0.663353 Ni\n0.336648 0.673294 0.336648 Ni\n0.326706 0.663353 0.663353 Ni\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tb",
"density": 9.21384341701556,
"density_atomic": 0.06302857741664614,
"volume": 349.0480176090679,
"volume_molar": 9.554619518367117,
"formula_full": "Tb6 Ga4 Ni12",
"formula_reduced": "Tb3(GaNi3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": null,
"spacegroup": 229
},
{
"id": "jvasp-122994",
"created_at": "2022-09-04T14:38:54.846721Z",
"updated_at": "2022-09-04T14:38:54.846747Z",
"structure_string": "V1 Tc1\n1.0\n3.016970 -0.000000 0.000000\n-0.000000 3.016970 0.000000\n-0.000000 -0.000000 3.016970\nV Tc\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Tc"
],
"chemical_system": "Tc-V",
"density": 9.006412742417314,
"density_atomic": 0.0728311253696762,
"volume": 27.460786715135878,
"volume_molar": 8.268636148944315,
"formula_full": "V1 Tc1",
"formula_reduced": "VTc",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-120910",
"created_at": "2022-09-04T14:38:54.843841Z",
"updated_at": "2022-09-04T14:38:54.843869Z",
"structure_string": "Ge1 Br3\n1.0\n6.694770 -0.019466 0.512337\n-0.146543 -6.715605 0.517803\n-1.390913 3.080177 -3.282812\nGe Br\n1 3\ndirect\n0.605518 0.164052 0.122636 Ge\n0.933877 0.037445 0.159943 Br\n0.605512 0.376692 0.835186 Br\n0.277136 0.708687 0.503495 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"Br"
],
"chemical_system": "Br-Ge",
"density": 3.9316564694059055,
"density_atomic": 0.030320905500088688,
"volume": 131.9221815452807,
"volume_molar": 19.861348665798868,
"formula_full": "Ge1 Br3",
"formula_reduced": "GeBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0228635262499999,
"spacegroup": 44
},
{
"id": "jvasp-120979",
"created_at": "2022-09-04T14:38:54.840999Z",
"updated_at": "2022-09-04T14:38:54.841028Z",
"structure_string": "Y1 Cl1 O1\n1.0\n4.450021 -0.000000 -0.000000\n-2.225010 3.853831 0.000000\n0.000000 -0.000000 4.423491\nY Cl O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Cl",
"O"
],
"chemical_system": "Cl-O-Y",
"density": 3.0723250927839465,
"density_atomic": 0.03954589240522492,
"volume": 75.86122900601507,
"volume_molar": 15.228233310027255,
"formula_full": "Y1 Cl1 O1",
"formula_reduced": "YClO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0730676725000003,
"spacegroup": 187
},
{
"id": "jvasp-123580",
"created_at": "2022-09-04T14:38:54.837927Z",
"updated_at": "2022-09-04T14:38:54.837950Z",
"structure_string": "Ho1 P3\n1.0\n3.485900 -0.000000 -1.116229\n-0.040207 3.992729 -0.125562\n-0.146755 -0.195125 5.542910\nHo P\n1 3\ndirect\n0.339483 -0.019600 0.678968 Ho\n0.621628 0.074616 0.243255 P\n0.124032 0.449087 0.248064 P\n0.914854 0.495898 0.829711 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"P"
],
"chemical_system": "Ho-P",
"density": 5.604397614413361,
"density_atomic": 0.05235642599902039,
"volume": 76.39940892976234,
"volume_molar": 11.502199863895745,
"formula_full": "Ho1 P3",
"formula_reduced": "HoP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3825180166666677,
"spacegroup": 8
},
{
"id": "jvasp-122875",
"created_at": "2022-09-04T14:38:54.835721Z",
"updated_at": "2022-09-04T14:38:54.835751Z",
"structure_string": "Na1 Sm3\n1.0\n1.780055 -3.083145 -0.000000\n1.780055 3.083145 0.000000\n-0.000000 -0.000000 12.074281\nNa Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Sm\n0.333332 0.666665 0.261131 Sm\n0.666665 0.333332 0.738869 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Sm"
],
"chemical_system": "Na-Sm",
"density": 5.9398121932697565,
"density_atomic": 0.030181536513094298,
"volume": 132.5313573172325,
"volume_molar": 19.953062221955754,
"formula_full": "Na1 Sm3",
"formula_reduced": "NaSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.98847390625,
"spacegroup": 164
},
{
"id": "jvasp-122612",
"created_at": "2022-09-04T14:38:54.832006Z",
"updated_at": "2022-09-04T14:38:54.832035Z",
"structure_string": "Sr1 Sn7\n1.0\n6.893946 -0.000000 0.000000\n-0.000000 6.893946 -0.000000\n-0.000000 -0.000000 6.893946\nSr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Sr\n0.267806 0.267806 0.767806 Sn\n0.000000 0.500000 0.000000 Sn\n0.267806 0.732194 0.232194 Sn\n0.500000 0.000000 0.000000 Sn\n0.732194 0.267806 0.232194 Sn\n0.500000 0.500000 0.500000 Sn\n0.732194 0.732194 0.767806 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 4.655509089524836,
"density_atomic": 0.02441666559075687,
"volume": 327.6450656320765,
"volume_molar": 24.66405880694754,
"formula_full": "Sr1 Sn7",
"formula_reduced": "SrSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.464302525,
"spacegroup": 215
},
{
"id": "jvasp-123578",
"created_at": "2022-09-04T14:38:54.830987Z",
"updated_at": "2022-09-04T14:38:54.831012Z",
"structure_string": "Hf1 P3\n1.0\n3.463055 0.000000 -1.108913\n0.000617 3.782683 0.001927\n-0.253810 -0.002811 5.169258\nHf P\n1 3\ndirect\n0.329283 -0.000035 0.658567 Hf\n0.622845 0.000084 0.245691 P\n0.136404 0.499981 0.272808 P\n0.911466 0.499970 0.822937 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"P"
],
"chemical_system": "Hf-P",
"density": 6.7619462595768915,
"density_atomic": 0.06001429461676841,
"volume": 66.65078754224618,
"volume_molar": 10.034510608606524,
"formula_full": "Hf1 P3",
"formula_reduced": "HfP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.444772375,
"spacegroup": 38
},
{
"id": "jvasp-122516",
"created_at": "2022-09-04T14:38:54.825997Z",
"updated_at": "2022-09-04T14:38:54.826024Z",
"structure_string": "Li4 Ti2 V4 O12\n1.0\n5.716267 0.008733 -1.306951\n-0.291727 5.774299 -1.423220\n0.015629 -0.046038 6.580616\nLi Ti V O\n4 2 4 12\ndirect\n0.335082 0.849777 0.344399 Li\n0.835089 0.849778 0.344392 Li\n0.498246 0.483556 0.988936 Li\n0.998240 0.483553 0.988943 Li\n0.666669 0.666687 0.666675 Ti\n0.166660 0.666646 0.666663 Ti\n0.489486 0.010542 0.993183 V\n0.343843 0.322787 0.340154 V\n0.989538 0.010544 0.993192 V\n0.843792 0.322787 0.340147 V\n0.083547 0.088593 0.315810 O\n0.583535 0.088553 0.315812 O\n0.917361 0.890113 0.670945 O\n0.417342 0.890113 0.670948 O\n0.915969 0.443220 0.662391 O\n0.741957 0.767115 0.988142 O\n0.091371 0.566219 0.345194 O\n0.591371 0.566249 0.345189 O\n0.241957 0.767084 0.988146 O\n0.249794 0.244781 0.017523 O\n0.415987 0.443220 0.662388 O\n0.749781 0.244741 0.017525 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.9743698425772567,
"density_atomic": 0.1014050700764149,
"volume": 216.9516769074925,
"volume_molar": 5.938697892977097,
"formula_full": "Li4 Ti2 V4 O12",
"formula_reduced": "Li2TiV2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.883676157575757,
"spacegroup": 2
},
{
"id": "jvasp-121080",
"created_at": "2022-09-04T14:38:54.825705Z",
"updated_at": "2022-09-04T14:38:54.825720Z",
"structure_string": "H2 C1\n1.0\n3.256020 0.399193 0.116437\n0.222552 -1.757016 -0.199995\n0.015207 0.373140 -3.261097\nH C\n2 1\ndirect\n0.007776 0.714026 0.614561 H\n0.617299 0.714019 0.223634 H\n-0.056770 0.714023 0.288558 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.213069855769385,
"density_atomic": 0.15624501679698152,
"volume": 19.20061235551646,
"volume_molar": 3.8542930094371752,
"formula_full": "H2 C1",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.530576666666668,
"spacegroup": 38
},
{
"id": "jvasp-122035",
"created_at": "2022-09-04T14:38:54.823780Z",
"updated_at": "2022-09-04T14:38:54.823807Z",
"structure_string": "Na29\n1.0\n10.479629 -0.000000 -3.705108\n-5.239815 9.075625 -3.705108\n-0.000000 -0.000000 11.115325\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.810116 0.184865 0.810116 Na\n0.316530 0.316530 0.722519 Na\n0.000000 0.405989 0.683471 Na\n0.405989 0.000000 0.683471 Na\n0.000000 0.000000 0.640087 Na\n0.625252 0.815136 0.625252 Na\n0.815136 0.625251 0.625251 Na\n0.277482 0.594011 0.594011 Na\n0.594011 0.277481 0.594011 Na\n0.000000 0.683471 0.405990 Na\n0.683470 0.000000 0.405989 Na\n0.000000 0.189884 0.374749 Na\n0.184865 0.810116 0.810116 Na\n0.189884 0.000000 0.374749 Na\n0.316530 0.722519 0.316530 Na\n0.722519 0.316530 0.316530 Na\n0.594011 0.594011 0.277481 Na\n0.000000 0.374749 0.189884 Na\n0.374749 0.000000 0.189884 Na\n0.810117 0.810116 0.184865 Na\n0.405990 0.683470 0.000000 Na\n0.000000 0.640087 0.000000 Na\n0.683471 0.405989 0.000000 Na\n0.189884 0.374749 0.000000 Na\n0.374749 0.189884 0.000000 Na\n0.640087 0.000000 -0.000000 Na\n0.359913 0.359913 0.359913 Na\n0.625252 0.625251 0.815136 Na\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.047217984177932,
"density_atomic": 0.02743174162599665,
"volume": 1057.169478897291,
"volume_molar": 21.953184169294264,
"formula_full": "Na29",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 217
}
]
}