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=spacegroup&page=407",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=405",
"results": [
{
"id": "jvasp-86167",
"created_at": "2022-09-04T14:35:59.825975Z",
"updated_at": "2022-09-04T14:35:59.826000Z",
"structure_string": "Na6 Zn1 Sn2\n1.0\n5.453021 0.000000 0.000000\n-2.726511 4.976357 -0.700338\n0.000000 0.012227 9.312465\nNa Zn Sn\n6 1 2\ndirect\n0.474358 0.948716 0.280173 Na\n0.171497 0.342994 0.594919 Na\n0.298769 0.597537 0.936390 Na\n0.828503 0.657007 0.405080 Na\n0.525643 0.051285 0.719826 Na\n0.701232 0.402464 0.063610 Na\n0.000000 0.000000 0.000000 Zn\n0.149247 0.298494 0.252574 Sn\n0.850754 0.701508 0.747426 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Sn"
],
"chemical_system": "Na-Sn-Zn",
"density": 2.895777453952628,
"density_atomic": 0.0356081094451863,
"volume": 252.75141365913402,
"volume_molar": 16.912273226047684,
"formula_full": "Na6 Zn1 Sn2",
"formula_reduced": "Na6ZnSn2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-1861",
"created_at": "2022-09-04T14:35:59.865260Z",
"updated_at": "2022-09-04T14:35:59.865284Z",
"structure_string": "Na1 Mn1 O2\n1.0\n2.778431 -0.000001 0.740020\n1.315453 2.862626 0.646941\n0.011771 0.002520 5.541017\nNa Mn O\n1 1 2\ndirect\n0.499999 0.500002 0.500000 Na\n-0.000004 0.000004 0.000002 Mn\n0.297289 0.197586 0.207834 O\n0.702712 0.802415 0.792166 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.144426469413561,
"density_atomic": 0.09081811439522983,
"volume": 44.04407674214053,
"volume_molar": 6.630990744635312,
"formula_full": "Na1 Mn1 O2",
"formula_reduced": "NaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6180733103448273,
"spacegroup": 12
},
{
"id": "jvasp-86813",
"created_at": "2022-09-04T14:35:59.870654Z",
"updated_at": "2022-09-04T14:35:59.870681Z",
"structure_string": "Mn2 Bi2 Se4 I2\n1.0\n4.125840 -0.000000 0.000000\n-2.062919 6.708082 -0.147643\n0.000000 -0.053639 10.048345\nMn Bi Se I\n2 2 4 2\ndirect\n0.500000 0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.787098 0.574196 0.192693 Bi\n0.212902 0.425803 0.807308 Bi\n0.569474 0.138947 0.755880 Se\n0.865166 0.730331 0.941207 Se\n0.430526 0.861052 0.244120 Se\n0.134834 0.269668 0.058793 Se\n0.863324 0.726647 0.569431 I\n0.136676 0.273353 0.430570 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-I-Mn-Se",
"density": 6.553808763505566,
"density_atomic": 0.03596215807323121,
"volume": 278.0700752061818,
"volume_molar": 16.745771340354125,
"formula_full": "Mn2 Bi2 Se4 I2",
"formula_reduced": "MnBiSe2I",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.541042909942529,
"spacegroup": 12
},
{
"id": "jvasp-86345",
"created_at": "2022-09-04T14:36:00.257695Z",
"updated_at": "2022-09-04T14:36:00.257714Z",
"structure_string": "Re3 P4\n1.0\n2.969510 -0.000000 -0.735462\n-0.597259 5.564867 -2.411499\n-0.000467 0.013364 6.360711\nRe P\n3 4\ndirect\n0.263818 0.318760 0.527638 Re\n0.736180 0.681240 0.472362 Re\n0.000000 0.000000 0.000000 Re\n0.086313 0.436126 0.172627 P\n0.913685 0.563873 0.827373 P\n0.352022 0.024924 0.704044 P\n0.647977 0.975076 0.295956 P\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 10.772218338248562,
"density_atomic": 0.06653363058646074,
"volume": 105.20995079177995,
"volume_molar": 9.051273328868175,
"formula_full": "Re3 P4",
"formula_reduced": "Re3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.284008,
"spacegroup": 12
},
{
"id": "jvasp-3810",
"created_at": "2022-09-04T14:36:00.288938Z",
"updated_at": "2022-09-04T14:36:00.288964Z",
"structure_string": "Y2 Cl6\n1.0\n6.221238 -0.020009 -1.147453\n-1.874527 5.629605 -3.398881\n-0.004527 -0.000937 6.838032\nY Cl\n2 6\ndirect\n-0.000001 0.166259 0.833741 Y\n-0.000000 0.833742 0.166259 Y\n0.245549 0.935602 0.582289 Cl\n0.754450 0.417711 0.064399 Cl\n0.745694 0.776280 0.776280 Cl\n0.254306 0.223720 0.223720 Cl\n0.245549 0.582289 0.935601 Cl\n0.754450 0.064398 0.417711 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Cl"
],
"chemical_system": "Cl-Y",
"density": 2.7112897280204864,
"density_atomic": 0.03344742976306081,
"volume": 239.18130800098618,
"volume_molar": 18.004793799285665,
"formula_full": "Y2 Cl6",
"formula_reduced": "YCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2095169131249998,
"spacegroup": 12
},
{
"id": "jvasp-93749",
"created_at": "2022-09-04T14:36:00.357493Z",
"updated_at": "2022-09-04T14:36:00.357519Z",
"structure_string": "Hf4 Bi2\n1.0\n0.000000 3.836191 0.000000\n5.018845 -1.918095 2.222207\n-0.017629 0.000000 -7.403620\nHf Bi\n4 2\ndirect\n0.148857 0.297714 0.050365 Hf\n0.851142 0.702287 0.949634 Hf\n0.481514 0.963032 0.729615 Hf\n0.518485 0.036969 0.270385 Hf\n0.829586 0.659174 0.366681 Bi\n0.170413 0.340827 0.633319 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Bi"
],
"chemical_system": "Bi-Hf",
"density": 13.200036463971085,
"density_atomic": 0.042136770161289076,
"volume": 142.39344821716264,
"volume_molar": 14.291889807758741,
"formula_full": "Hf4 Bi2",
"formula_reduced": "Hf2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 3.459186766666667,
"spacegroup": 12
},
{
"id": "jvasp-90816",
"created_at": "2022-09-04T14:36:01.702940Z",
"updated_at": "2022-09-04T14:36:01.702969Z",
"structure_string": "Sr2 As6\n1.0\n1.845505 -5.161471 2.217916\n6.165626 0.287285 0.520910\n-0.996583 5.939062 3.867341\nSr As\n2 6\ndirect\n0.332521 0.664093 0.664228 Sr\n0.667479 0.335908 0.335772 Sr\n0.789969 0.007089 0.007139 As\n0.210031 -0.007088 0.992861 As\n0.606675 0.867660 0.409581 As\n0.393326 0.132342 0.590419 As\n0.935553 0.590452 0.132511 As\n0.064447 0.409550 0.867489 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"As"
],
"chemical_system": "As-Sr",
"density": 5.08695096016413,
"density_atomic": 0.03922640888021711,
"volume": 203.94423625239386,
"volume_molar": 15.352261223782635,
"formula_full": "Sr2 As6",
"formula_reduced": "SrAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4321533750000002,
"spacegroup": 12
},
{
"id": "jvasp-48708",
"created_at": "2022-09-04T14:36:00.632996Z",
"updated_at": "2022-09-04T14:36:00.633021Z",
"structure_string": "Na4 Co2 O6\n1.0\n4.901338 2.946023 -0.409003\n-4.901338 2.946023 0.409003\n-1.627384 0.000000 5.908909\nNa Co O\n4 2 6\ndirect\n0.352287 0.647712 0.282619 Na\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.647712 0.352287 0.717381 Na\n0.336672 0.663327 0.763123 Co\n0.663327 0.336672 0.236878 Co\n0.204922 0.795077 0.881961 O\n0.640985 0.808906 0.685197 O\n0.191093 0.359014 0.685197 O\n0.808906 0.640984 0.314803 O\n0.359015 0.191093 0.314803 O\n0.795077 0.204922 0.118039 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 3.045980675142068,
"density_atomic": 0.07197650537037673,
"volume": 166.72107013601726,
"volume_molar": 8.366814600141069,
"formula_full": "Na4 Co2 O6",
"formula_reduced": "Na2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4659882333333334,
"spacegroup": 12
},
{
"id": "jvasp-91721",
"created_at": "2022-09-04T14:36:00.634134Z",
"updated_at": "2022-09-04T14:36:00.634152Z",
"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.3359855883685605,
"density_atomic": 0.030007412008595285,
"volume": 266.6007984196868,
"volume_molar": 20.068844185146745,
"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5387677287499999,
"spacegroup": 12
},
{
"id": "jvasp-43812",
"created_at": "2022-09-04T14:36:00.842979Z",
"updated_at": "2022-09-04T14:36:00.842999Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.727194 -0.056329 0.007768\n-0.053534 5.653538 0.046388\n2.689476 2.833968 4.086913\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Co\n0.000001 0.500000 0.500000 Co\n0.000001 0.000000 0.500000 Co\n0.206197 0.737924 0.029471 O\n0.200111 0.237248 0.037136 O\n0.200019 0.736995 0.536977 O\n0.206198 0.235668 0.531728 O\n0.793803 0.764333 0.468272 O\n0.799981 0.263006 0.463024 O\n0.799889 0.762753 0.962864 O\n0.793803 0.262076 0.970529 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.632413352775328,
"density_atomic": 0.09890577372845054,
"volume": 131.4382316617024,
"volume_molar": 6.088765633171234,
"formula_full": "Li1 Mn1 Co3 O8",
"formula_reduced": "LiMnCo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.1120875339522542,
"spacegroup": 12
},
{
"id": "jvasp-86691",
"created_at": "2022-09-04T14:36:00.911081Z",
"updated_at": "2022-09-04T14:36:00.911113Z",
"structure_string": "Er6 Co2 Si6\n1.0\n4.086121 -0.000000 0.674653\n2.014752 5.174609 0.508782\n0.008243 -0.024464 12.661433\nEr Co Si\n6 2 6\ndirect\n0.747384 0.734068 0.771162 Er\n0.399968 0.280897 0.919164 Er\n0.600030 0.719104 0.080835 Er\n0.475507 0.669372 0.379612 Er\n0.252614 0.265933 0.228838 Er\n0.524491 0.330629 0.620387 Er\n0.752587 0.078409 0.416415 Co\n0.247411 0.921592 0.583584 Co\n0.051375 0.139001 0.758248 Si\n0.139630 0.265050 0.455689 Si\n0.860368 0.734951 0.544310 Si\n0.948623 0.861000 0.241752 Si\n0.882658 0.158859 0.075826 Si\n0.117340 0.841142 0.924173 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Co",
"Si"
],
"chemical_system": "Co-Er-Si",
"density": 8.001342847826725,
"density_atomic": 0.05229672989657011,
"volume": 267.7031628495416,
"volume_molar": 11.515329489836729,
"formula_full": "Er6 Co2 Si6",
"formula_reduced": "Er3CoSi3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.623762385714285,
"spacegroup": 12
},
{
"id": "jvasp-94935",
"created_at": "2022-09-04T14:36:00.926680Z",
"updated_at": "2022-09-04T14:36:00.926705Z",
"structure_string": "V2 Co1 Se4\n1.0\n0.000000 3.401508 0.000000\n0.027182 0.000000 6.135178\n5.692222 -1.700754 -2.879303\nV Co Se\n2 1 4\ndirect\n0.743020 0.685381 0.486039 V\n0.256981 0.314619 0.513961 V\n0.000000 0.000000 0.000000 Co\n0.635420 0.976179 0.270838 Se\n0.364581 0.023821 0.729161 Se\n0.897403 0.558987 0.794804 Se\n0.102598 0.441014 0.205195 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Co",
"Se"
],
"chemical_system": "Co-Se-V",
"density": 6.6481627181754845,
"density_atomic": 0.05879566967266803,
"volume": 119.0563869579335,
"volume_molar": 10.24249029482434,
"formula_full": "V2 Co1 Se4",
"formula_reduced": "V2CoSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.777601823809524,
"spacegroup": 12
}
]
}