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=-updated_at&page=4178",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4176",
"results": [
{
"id": "jvasp-88123",
"created_at": "2022-09-04T14:35:56.172544Z",
"updated_at": "2022-09-04T14:35:56.172564Z",
"structure_string": "Ba3 Ta6 Si4 O23\n1.0\n9.155845 0.000000 0.000000\n-4.577923 7.929196 -0.000000\n0.000000 -0.000000 7.577091\nBa Ta Si O\n3 6 4 23\ndirect\n0.000000 0.590029 0.500000 Ba\n0.409972 0.409972 0.500000 Ba\n0.590029 0.000000 0.500000 Ba\n0.237418 0.000000 0.747488 Ta\n0.000000 0.237418 0.252512 Ta\n0.762583 0.762582 0.252512 Ta\n0.762583 0.762582 0.747488 Ta\n0.237418 0.000000 0.252512 Ta\n0.000000 0.237418 0.747488 Ta\n0.333334 0.666667 0.212408 Si\n0.666668 0.333333 0.212408 Si\n0.666668 0.333333 0.787592 Si\n0.333334 0.666667 0.787592 Si\n0.701259 0.514975 0.290618 O\n0.813717 0.298742 0.709382 O\n0.000000 0.826826 0.269502 O\n0.000000 0.826826 0.730498 O\n0.514975 0.701259 0.290618 O\n0.666668 0.333333 0.000000 O\n0.000000 0.279236 0.000000 O\n0.701259 0.514975 0.709382 O\n0.173175 0.173175 0.269502 O\n0.485026 0.186284 0.290618 O\n0.826826 0.000000 0.730498 O\n0.279236 0.000000 0.000000 O\n0.813717 0.298742 0.290618 O\n0.514975 0.701259 0.709382 O\n0.826826 0.000000 0.269502 O\n0.720765 0.720765 0.000000 O\n0.333334 0.666667 0.000000 O\n0.186284 0.485026 0.290618 O\n0.298742 0.813716 0.709382 O\n0.186284 0.485026 0.709382 O\n0.173175 0.173175 0.730498 O\n0.485026 0.186284 0.709382 O\n0.298742 0.813716 0.290618 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Si",
"O"
],
"chemical_system": "Ba-O-Si-Ta",
"density": 5.97096497526058,
"density_atomic": 0.06544438827277974,
"volume": 550.0853617875969,
"volume_molar": 9.20192077416787,
"formula_full": "Ba3 Ta6 Si4 O23",
"formula_reduced": "Ba3Ta6Si4O23",
"formula_anonymous": "A3B4C6D23",
"energy_above_hull": 3.785331889166666,
"spacegroup": 189
},
{
"id": "jvasp-88004",
"created_at": "2022-09-04T14:35:56.166789Z",
"updated_at": "2022-09-04T14:35:56.166821Z",
"structure_string": "Ba2 Mn1 Re1 O6\n1.0\n5.009369 0.000000 2.892160\n1.669789 4.722877 2.892160\n-0.000000 -0.000000 5.784320\nBa Mn Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Re\n0.260338 0.739663 0.739660 O\n0.260338 0.739663 0.260337 O\n0.739663 0.260338 0.739661 O\n0.260339 0.260338 0.739662 O\n0.739663 0.260338 0.260337 O\n0.739662 0.739663 0.260338 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Re",
"O"
],
"chemical_system": "Ba-Mn-O-Re",
"density": 7.423579548488399,
"density_atomic": 0.07307318379839157,
"volume": 136.8491077053647,
"volume_molar": 8.24124589482107,
"formula_full": "Ba2 Mn1 Re1 O6",
"formula_reduced": "Ba2MnReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.773985818137931,
"spacegroup": 225
},
{
"id": "jvasp-98134",
"created_at": "2022-09-04T14:35:56.164943Z",
"updated_at": "2022-09-04T14:35:56.164958Z",
"structure_string": "Ba2 Y1 Cu4 O6\n1.0\n3.937911 0.000000 0.000000\n0.000000 1.892491 13.488087\n0.000000 -1.892491 13.488087\nBa Y Cu O\n2 1 4 6\ndirect\n0.500000 0.642467 0.642467 Ba\n0.500000 0.357533 0.357533 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.210897 0.210897 Cu\n0.000000 0.789103 0.789103 Cu\n0.000000 0.060207 0.060207 Cu\n0.000000 0.939793 0.939793 Cu\n0.000000 0.138468 0.138468 O\n0.000000 0.861532 0.861532 O\n0.500000 0.052090 0.052090 O\n0.500000 0.947910 0.947910 O\n0.000000 0.716919 0.716919 O\n0.000000 0.283082 0.283082 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 5.895344825570887,
"density_atomic": 0.064664106157349,
"volume": 201.03888807133177,
"volume_molar": 9.312957555380345,
"formula_full": "Ba2 Y1 Cu4 O6",
"formula_reduced": "Ba2Y(Cu2O3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.3044800146153843,
"spacegroup": 65
},
{
"id": "jvasp-69511",
"created_at": "2022-09-04T14:35:56.163563Z",
"updated_at": "2022-09-04T14:35:56.163578Z",
"structure_string": "Be1 Tc1 P1\n1.0\n1.436278 -2.487705 0.000000\n1.436278 2.487705 -0.000000\n0.000000 -0.000000 5.431357\nBe Tc P\n1 1 1\ndirect\n0.000000 0.000000 0.996264 Be\n0.666668 0.333333 0.342856 Tc\n0.333333 0.666668 0.660881 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tc",
"P"
],
"chemical_system": "Be-P-Tc",
"density": 5.903481598687823,
"density_atomic": 0.0772939535935351,
"volume": 38.812867766812246,
"volume_molar": 7.791218433033674,
"formula_full": "Be1 Tc1 P1",
"formula_reduced": "BeTcP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.058104366666667,
"spacegroup": 156
},
{
"id": "jvasp-98448",
"created_at": "2022-09-04T14:35:56.160410Z",
"updated_at": "2022-09-04T14:35:56.160435Z",
"structure_string": "He8 Si8 O16\n1.0\n7.641598 0.000000 -4.983695\n0.000000 5.099516 0.000000\n-0.686376 0.000000 10.428008\nHe Si O\n8 8 16\ndirect\n0.609638 0.749663 0.070928 He\n0.390362 0.249662 0.429072 He\n0.390362 0.250338 0.929072 He\n0.609637 0.750339 0.570928 He\n0.109434 0.249535 0.070478 He\n0.890566 0.749535 0.429522 He\n0.890565 0.750466 0.929522 He\n0.109434 0.250466 0.570478 He\n0.125348 0.750803 0.812224 Si\n0.125348 0.749198 0.312224 Si\n0.874652 0.249198 0.187776 Si\n0.874652 0.250803 0.687776 Si\n0.374657 0.750152 0.687556 Si\n0.374657 0.749849 0.187556 Si\n0.625343 0.249849 0.312444 Si\n0.625343 0.250152 0.812444 Si\n0.959910 0.539275 0.210227 O\n0.040090 0.039275 0.289772 O\n0.460388 0.039772 0.709708 O\n0.539612 0.539772 0.790292 O\n0.539612 0.960229 0.290292 O\n0.460388 0.460229 0.209708 O\n0.749681 0.169630 0.000026 O\n0.250319 0.830371 -0.000027 O\n0.749681 0.330371 0.500026 O\n0.750373 0.251461 0.750484 O\n0.249627 0.751461 0.749516 O\n0.249627 0.748540 0.249516 O\n0.750373 0.248540 0.250484 O\n0.959909 0.960726 0.710227 O\n0.250319 0.669630 0.499973 O\n0.040090 0.460726 0.789772 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"He",
"Si",
"O"
],
"chemical_system": "He-O-Si",
"density": 2.189014723627119,
"density_atomic": 0.08227924511595593,
"volume": 388.9194651081507,
"volume_molar": 7.319149259953725,
"formula_full": "He8 Si8 O16",
"formula_reduced": "HeSiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3256472375,
"spacegroup": 167
},
{
"id": "jvasp-63256",
"created_at": "2022-09-04T14:35:56.151020Z",
"updated_at": "2022-09-04T14:35:56.151036Z",
"structure_string": "K6 Nd2 As4 S16\n1.0\n9.367124 5.216743 -0.050177\n-9.367124 5.216743 -0.050177\n0.000000 3.941889 7.847411\nK Nd As S\n6 2 4 16\ndirect\n0.263587 0.736413 0.750000 K\n0.736413 0.263587 0.250000 K\n0.003279 0.996721 0.750000 K\n0.996721 0.003279 0.250000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.243045 0.756954 0.250000 Nd\n0.756955 0.243045 0.750000 Nd\n0.339821 0.098875 0.893093 As\n0.660179 0.901125 0.106906 As\n0.901125 0.660179 0.606906 As\n0.098875 0.339821 0.393094 As\n0.529805 0.871465 0.936824 S\n0.490894 0.140680 0.645209 S\n0.859320 0.509106 0.854790 S\n0.871465 0.529805 0.436824 S\n0.470194 0.128535 0.063175 S\n0.128535 0.470194 0.563175 S\n0.153471 0.871484 0.486879 S\n0.751562 0.737893 0.629074 S\n0.846529 0.128516 0.513121 S\n0.871484 0.153471 0.986879 S\n0.248438 0.262107 0.370925 S\n0.737892 0.751562 0.129074 S\n0.140680 0.490894 0.145209 S\n0.262107 0.248438 0.870925 S\n0.128516 0.846529 0.013121 S\n0.509106 0.859320 0.354790 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Nd",
"As",
"S"
],
"chemical_system": "As-K-Nd-S",
"density": 2.878294637342492,
"density_atomic": 0.03633311874806969,
"volume": 770.6467532872496,
"volume_molar": 16.574797230474317,
"formula_full": "K6 Nd2 As4 S16",
"formula_reduced": "K3Nd(AsS4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.5751577857142858,
"spacegroup": 15
},
{
"id": "jvasp-66728",
"created_at": "2022-09-04T14:35:56.148985Z",
"updated_at": "2022-09-04T14:35:56.149013Z",
"structure_string": "Ta1 Be2 V1\n1.0\n2.644434 0.000000 -0.000000\n0.000000 2.644434 0.000000\n0.000000 0.000000 7.015402\nTa Be V\n1 2 1\ndirect\n0.000000 0.000000 0.464762 Ta\n0.000000 0.000000 0.038275 Be\n0.499999 0.499999 0.197754 Be\n0.499999 0.499999 0.799207 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"V"
],
"chemical_system": "Be-Ta-V",
"density": 8.459042585933787,
"density_atomic": 0.08153460365898399,
"volume": 49.05892492873184,
"volume_molar": 7.385993786377403,
"formula_full": "Ta1 Be2 V1",
"formula_reduced": "TaBe2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6980039,
"spacegroup": 99
},
{
"id": "jvasp-44018",
"created_at": "2022-09-04T14:35:56.143840Z",
"updated_at": "2022-09-04T14:35:56.143859Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.501199 -0.021358 0.016708\n1.725138 5.178556 0.013252\n2.272217 1.627760 6.634822\nFe O F\n6 7 5\ndirect\n0.315696 0.302408 0.160159 Fe\n0.659167 0.662356 0.321957 Fe\n0.387453 0.326758 0.689865 Fe\n0.663051 0.676578 0.833818 Fe\n0.009971 0.013605 0.492058 Fe\n0.955586 0.031374 0.993406 Fe\n0.672317 0.315402 0.003448 O\n0.960999 0.353591 0.335933 O\n0.672104 0.023481 0.667453 O\n0.219483 0.236383 0.965265 O\n0.758110 0.768073 0.031338 O\n0.356728 0.951947 0.336845 O\n0.583327 0.574104 0.637145 O\n0.896827 0.894282 0.300468 F\n0.062080 0.637124 0.655716 F\n0.127870 0.103406 0.694177 F\n0.424506 0.414541 0.373762 F\n0.274736 0.714588 0.007184 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.762727807367634,
"density_atomic": 0.09524310794441637,
"volume": 188.99005280786042,
"volume_molar": 6.322915001382048,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.470694939583333,
"spacegroup": 1
},
{
"id": "jvasp-87905",
"created_at": "2022-09-04T14:35:56.139555Z",
"updated_at": "2022-09-04T14:35:56.139574Z",
"structure_string": "Ca2 Ni6 P8 O28\n1.0\n6.798103 0.000000 -2.742950\n0.000000 7.598341 0.000000\n-0.000646 0.000000 9.429043\nCa Ni P O\n2 6 8 28\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ni\n0.184332 0.872500 0.524605 Ni\n0.000000 0.000000 0.000000 Ni\n0.815667 0.127500 0.475394 Ni\n0.184332 0.627500 0.024605 Ni\n0.815667 0.372500 0.975394 Ni\n0.595198 0.067843 0.702894 P\n0.404801 0.932157 0.297105 P\n0.595199 0.432157 0.202894 P\n0.404800 0.567842 0.797105 P\n0.119559 0.295179 0.808530 P\n0.119560 0.204821 0.308530 P\n0.880440 0.704821 0.191470 P\n0.880439 0.795179 0.691469 P\n0.972342 0.925275 0.612869 O\n0.027657 0.425275 0.887130 O\n0.027657 0.074725 0.387130 O\n0.972342 0.574725 0.112870 O\n0.008672 0.286499 0.634934 O\n0.991326 0.786499 0.865065 O\n0.830096 0.620891 0.605719 O\n0.388257 0.027181 0.695394 O\n0.169903 0.120891 0.894280 O\n0.169903 0.379109 0.394281 O\n0.830096 0.879109 0.105719 O\n0.273793 0.620400 0.629717 O\n0.726206 0.120401 0.870282 O\n0.726206 0.379599 0.370282 O\n0.273793 0.879599 0.129717 O\n0.619109 0.195648 0.586784 O\n0.008673 0.213501 0.134934 O\n0.380890 0.695648 0.913215 O\n0.619109 0.304351 0.086785 O\n0.672790 0.878017 0.675391 O\n0.327209 0.378018 0.824608 O\n0.327209 0.121982 0.324609 O\n0.672790 0.621982 0.175391 O\n0.388257 0.472819 0.195394 O\n0.611742 0.972819 0.304605 O\n0.611742 0.527181 0.804605 O\n0.380890 0.804351 0.413215 O\n0.991327 0.713501 0.365066 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P",
"density": 3.846188799016737,
"density_atomic": 0.09034217569784588,
"volume": 487.0371967480648,
"volume_molar": 6.665923986756047,
"formula_full": "Ca2 Ni6 P8 O28",
"formula_reduced": "CaNi3(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 2.69801221,
"spacegroup": 14
},
{
"id": "jvasp-50818",
"created_at": "2022-09-04T14:35:56.138565Z",
"updated_at": "2022-09-04T14:35:56.138587Z",
"structure_string": "Ba4 Y2 F14\n1.0\n6.873505 3.386312 -0.038424\n-6.873505 3.386312 0.038424\n-4.723861 0.000000 6.648100\nBa Y F\n4 2 14\ndirect\n0.315357 0.671537 0.744208 Ba\n0.328462 0.684642 0.244208 Ba\n0.671537 0.315357 0.755792 Ba\n0.684642 0.328462 0.255792 Ba\n0.986179 0.986179 0.750000 Y\n0.013820 0.013820 0.250000 Y\n0.943104 0.779317 0.074252 F\n0.884322 0.632611 0.455172 F\n0.365014 0.365014 0.250000 F\n0.220682 0.056895 0.574252 F\n0.632611 0.884322 0.044828 F\n0.367389 0.115678 0.955172 F\n0.115678 0.367388 0.544828 F\n0.634986 0.634986 0.750000 F\n0.696983 0.069587 0.637928 F\n0.056895 0.220682 0.925748 F\n0.303017 0.930413 0.362072 F\n0.069587 0.696983 0.862072 F\n0.779317 0.943104 0.425748 F\n0.930413 0.303017 0.137928 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"F"
],
"chemical_system": "Ba-F-Y",
"density": 5.349789175062239,
"density_atomic": 0.0648822265579028,
"volume": 308.25082709132084,
"volume_molar": 9.281649350651778,
"formula_full": "Ba4 Y2 F14",
"formula_reduced": "Ba2YF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-86144",
"created_at": "2022-09-04T14:35:56.136551Z",
"updated_at": "2022-09-04T14:35:56.136585Z",
"structure_string": "Er10 Bi2 Au4\n1.0\n6.546295 -0.000000 -3.362001\n-1.726632 6.314484 -3.362001\n0.948358 1.242492 9.900873\nEr Bi Au\n10 2 4\ndirect\n0.503198 0.326421 0.329619 Er\n0.326422 0.826421 0.329619 Er\n0.673579 0.173578 0.670381 Er\n0.496803 0.673578 0.670381 Er\n0.000000 0.000000 0.000000 Er\n0.996804 0.496802 0.670381 Er\n0.003198 0.503197 0.329619 Er\n0.826422 0.003197 0.329619 Er\n0.173579 0.996802 0.670381 Er\n0.500000 0.500000 0.000000 Er\n0.250000 0.250000 0.500000 Bi\n0.750001 0.749999 0.500000 Bi\n0.129173 0.629172 0.000000 Au\n0.870828 0.370827 0.000000 Au\n0.370828 0.129173 0.000000 Au\n0.629173 0.870827 0.000000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Er",
"density": 10.302054525412405,
"density_atomic": 0.03448585572005179,
"volume": 463.95832917368506,
"volume_molar": 17.462639781614662,
"formula_full": "Er10 Bi2 Au4",
"formula_reduced": "Er5BiAu2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.20871243,
"spacegroup": 140
},
{
"id": "jvasp-3846",
"created_at": "2022-09-04T14:35:56.134817Z",
"updated_at": "2022-09-04T14:35:56.134835Z",
"structure_string": "B1 P1 S4\n1.0\n4.737247 -0.000000 -2.338780\n-1.292265 4.712303 -2.617508\n-0.044013 -0.007402 5.877936\nB P S\n1 1 4\ndirect\n0.500000 0.000000 0.000000 B\n0.000000 0.000000 0.000000 P\n0.618115 0.686914 0.770164 S\n0.847951 0.313085 0.229837 S\n0.381887 0.916751 0.229837 S\n0.152050 0.083249 0.770164 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"P",
"S"
],
"chemical_system": "B-P-S",
"density": 2.1618029796465414,
"density_atomic": 0.04593619358878411,
"volume": 130.61595947002832,
"volume_molar": 13.109794890516092,
"formula_full": "B1 P1 S4",
"formula_reduced": "BPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.727779680555556,
"spacegroup": 23
}
]
}