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=408",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=406",
"results": [
{
"id": "jvasp-93691",
"created_at": "2022-09-04T14:36:00.957018Z",
"updated_at": "2022-09-04T14:36:00.957050Z",
"structure_string": "Ir2 C4\n1.0\n0.000000 2.855649 -0.000000\n-2.517904 1.427824 2.950717\n1.050590 1.427824 7.332107\nIr C\n2 4\ndirect\n0.262407 -0.275768 0.750952 Ir\n0.737592 0.275768 0.249048 Ir\n0.914525 0.224838 0.946110 C\n0.085473 0.775161 0.053891 C\n0.588247 0.312026 0.511479 C\n0.411750 0.687974 0.488522 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 11.663460015879402,
"density_atomic": 0.09744661168672726,
"volume": 61.57217676576467,
"volume_molar": 6.179938589717271,
"formula_full": "Ir2 C4",
"formula_reduced": "IrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.209453699999999,
"spacegroup": 12
},
{
"id": "jvasp-42289",
"created_at": "2022-09-04T14:36:01.097978Z",
"updated_at": "2022-09-04T14:36:01.098001Z",
"structure_string": "Fe8 O14 F2\n1.0\n-4.406892 4.406892 5.723272\n-0.047795 4.365307 -2.861684\n-4.365307 0.047795 -2.861684\nFe O F\n8 14 2\ndirect\n0.611458 0.861653 0.861653 Fe\n0.879111 0.626989 0.626989 Fe\n0.500001 0.500000 0.500000 Fe\n0.246110 0.736581 0.736581 Fe\n0.753892 0.263419 0.263419 Fe\n0.120891 0.373011 0.373011 Fe\n0.388543 0.138347 0.138347 Fe\n0.000000 0.000000 0.000000 Fe\n0.000001 0.698875 0.301125 O\n0.251488 0.445437 0.053968 O\n0.000001 0.301125 0.698875 O\n0.500001 0.806414 0.193586 O\n0.251488 0.053968 0.445437 O\n0.530464 0.282051 0.282051 O\n0.028669 0.777240 0.777240 O\n0.469537 0.717949 0.717949 O\n0.971332 0.222760 0.222760 O\n0.724756 0.475504 0.475504 O\n0.748514 0.946032 0.554563 O\n0.500001 0.193586 0.806414 O\n0.748514 0.554563 0.946032 O\n0.275245 0.524496 0.524496 O\n0.226628 0.974780 0.974780 F\n0.773373 0.025220 0.025220 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.399969709946772,
"density_atomic": 0.11011877527412696,
"volume": 217.94648496820813,
"volume_molar": 5.46876837760739,
"formula_full": "Fe8 O14 F2",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.972301398541666,
"spacegroup": 12
},
{
"id": "jvasp-97932",
"created_at": "2022-09-04T14:36:01.145445Z",
"updated_at": "2022-09-04T14:36:01.145471Z",
"structure_string": "H8 S8 N12 O2\n1.0\n8.497819 3.106999 -2.489593\n-8.497819 3.106999 2.489593\n-0.186416 0.000000 7.022322\nH S N O\n8 8 12 2\ndirect\n0.794436 0.205565 0.084619 H\n0.205565 0.794436 0.915380 H\n0.001417 0.266018 0.255592 H\n0.733982 0.998584 0.255592 H\n0.998583 0.733983 0.744408 H\n0.266018 0.001417 0.744408 H\n0.886121 0.113880 0.060927 H\n0.113879 0.886121 0.939072 H\n0.319884 0.680117 0.460939 S\n0.670367 0.769416 0.708833 S\n0.230585 0.329633 0.708833 S\n0.680116 0.319884 0.539061 S\n0.769415 0.670367 0.291166 S\n0.353013 0.646988 0.868239 S\n0.646988 0.353013 0.131760 S\n0.329633 0.230585 0.291166 S\n0.145506 0.854495 0.838359 N\n0.854494 0.145506 0.161641 N\n0.285671 0.714329 0.656494 N\n0.714329 0.285671 0.343506 N\n0.588705 0.820043 0.491799 N\n0.179958 0.411296 0.491799 N\n0.820043 0.588705 0.508201 N\n0.616600 0.796496 0.891055 N\n0.203505 0.383400 0.891055 N\n0.383400 0.203505 0.108945 N\n0.796496 0.616600 0.108945 N\n0.411295 0.179958 0.508201 N\n0.684163 0.315837 0.974162 O\n0.315837 0.684164 0.025838 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 2.097096428216092,
"density_atomic": 0.08153662434361976,
"volume": 367.9328184298017,
"volume_molar": 7.385810742692628,
"formula_full": "H8 S8 N12 O2",
"formula_reduced": "H4S4N6O",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.248311533333333,
"spacegroup": 12
},
{
"id": "jvasp-98268",
"created_at": "2022-09-04T14:36:01.353049Z",
"updated_at": "2022-09-04T14:36:01.353075Z",
"structure_string": "Sc6 Rh2 C8\n1.0\n5.105895 -0.011405 2.333267\n1.404256 5.397149 0.641710\n-0.003706 -0.005703 6.761367\nSc Rh C\n6 2 8\ndirect\n0.759561 0.759865 -0.000000 Sc\n0.188251 0.000000 0.623497 Sc\n0.689477 0.500000 0.621047 Sc\n0.240441 0.240134 -0.000000 Sc\n0.310524 0.500000 0.378954 Sc\n0.811749 -0.000001 0.376504 Sc\n0.269705 0.730148 -0.000000 Rh\n0.730297 0.269851 -0.000000 Rh\n0.949001 0.582067 0.258183 C\n0.711252 0.078054 0.740796 C\n0.792818 0.417932 0.258183 C\n0.051000 0.417933 0.741818 C\n0.288749 0.921946 0.259204 C\n0.547954 0.921946 0.740796 C\n0.452047 0.078054 0.259205 C\n0.207183 0.582068 0.741818 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Rh",
"C"
],
"chemical_system": "C-Rh-Sc",
"density": 5.090187673096082,
"density_atomic": 0.0858001590163955,
"volume": 186.4798408700218,
"volume_molar": 7.018799066385451,
"formula_full": "Sc6 Rh2 C8",
"formula_reduced": "Sc3RhC4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.99569484375,
"spacegroup": 12
},
{
"id": "jvasp-85817",
"created_at": "2022-09-04T14:36:03.427448Z",
"updated_at": "2022-09-04T14:36:03.427464Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n6.557426 2.191146 7.716611\n-0.971520 2.097064 2.269127\n-4.381289 -4.441730 -2.393624\nTi Mn O\n2 2 6\ndirect\n0.256677 0.295238 0.680233 Ti\n0.743324 0.704762 0.319767 Ti\n0.772476 0.727307 0.885968 Mn\n0.227525 0.272693 0.114033 Mn\n0.206903 0.610282 0.420619 O\n0.421893 0.925856 0.058720 O\n0.897149 0.354877 0.200556 O\n0.793098 0.389719 0.579382 O\n0.578108 0.074144 0.941281 O\n0.102852 0.645124 0.799445 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.532613828927082,
"density_atomic": 0.09050215894874936,
"volume": 110.494601633348,
"volume_molar": 6.654140442561475,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.7728612149425285,
"spacegroup": 12
},
{
"id": "jvasp-12016",
"created_at": "2022-09-04T14:36:04.621390Z",
"updated_at": "2022-09-04T14:36:04.621415Z",
"structure_string": "Pd2 Se2 O6\n1.0\n4.716685 0.111629 -1.686936\n-0.639674 4.674390 -1.686782\n-0.145417 -0.170441 6.968985\nPd Se O\n2 2 6\ndirect\n0.499999 -0.000000 -0.000001 Pd\n0.000000 0.500000 -0.000000 Pd\n0.323082 0.323095 0.633447 Se\n0.676918 0.676905 0.366551 Se\n0.964713 0.571444 0.293294 O\n0.571435 0.964705 0.293290 O\n0.393813 0.393803 0.139917 O\n0.035285 0.428557 0.706705 O\n0.606187 0.606198 0.860082 O\n0.428563 0.035295 0.706710 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 5.116362125650812,
"density_atomic": 0.06601184881546301,
"volume": 151.4879552602008,
"volume_molar": 9.122817900215118,
"formula_full": "Pd2 Se2 O6",
"formula_reduced": "PdSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.056995913333333,
"spacegroup": 12
},
{
"id": "jvasp-94303",
"created_at": "2022-09-04T14:36:04.649523Z",
"updated_at": "2022-09-04T14:36:04.649557Z",
"structure_string": "Zr2 Sc4\n1.0\n0.000000 3.255708 0.000000\n5.709200 -1.627854 1.337994\n0.013919 0.000000 -7.598304\nZr Sc\n2 4\ndirect\n0.473553 0.947103 0.192942 Zr\n0.526449 0.052897 0.807058 Zr\n0.807952 0.615902 0.862332 Sc\n0.192049 0.384098 0.137668 Sc\n0.865988 0.731974 0.474000 Sc\n0.134014 0.268026 0.526000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Sc"
],
"chemical_system": "Sc-Zr",
"density": 4.2575491331571715,
"density_atomic": 0.0424646427445776,
"volume": 141.2940180867565,
"volume_molar": 14.18154109107389,
"formula_full": "Zr2 Sc4",
"formula_reduced": "ZrSc2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.808898333333333,
"spacegroup": 12
},
{
"id": "jvasp-89942",
"created_at": "2022-09-04T14:36:01.458971Z",
"updated_at": "2022-09-04T14:36:01.458997Z",
"structure_string": "Hf4 Cu1 Si4\n1.0\n0.000000 -3.765159 0.000000\n4.577081 -1.882579 -1.661237\n4.575286 -1.882579 7.041348\nHf Cu Si\n4 1 4\ndirect\n0.107639 0.165210 0.619514 Hf\n0.892361 0.834790 0.380486 Hf\n0.753358 0.650600 0.842685 Hf\n0.246642 0.349401 0.157315 Hf\n0.000000 0.000000 0.000000 Cu\n0.383382 0.620086 0.613151 Si\n0.616618 0.379915 0.386849 Si\n0.462069 0.226359 0.849502 Si\n0.537931 0.773641 0.150498 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Si"
],
"chemical_system": "Cu-Hf-Si",
"density": 9.85319882736233,
"density_atomic": 0.060014311731479704,
"volume": 149.96422920366794,
"volume_molar": 10.034507746993235,
"formula_full": "Hf4 Cu1 Si4",
"formula_reduced": "Hf4CuSi4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.3998518722222215,
"spacegroup": 12
},
{
"id": "jvasp-15266",
"created_at": "2022-09-04T14:36:01.637105Z",
"updated_at": "2022-09-04T14:36:01.637132Z",
"structure_string": "Er2 Mo2 C3\n1.0\n3.194594 0.000000 -0.912013\n-0.568730 5.280676 -1.992145\n-0.004899 -0.016802 6.033845\nEr Mo C\n2 2 3\ndirect\n0.389553 0.174041 0.779108 Er\n0.610446 0.825960 0.220895 Er\n0.155766 0.327285 0.311533 Mo\n0.844233 0.672716 0.688469 Mo\n0.751631 0.263757 0.503265 C\n0.248367 0.736244 0.496738 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Mo",
"C"
],
"chemical_system": "C-Er-Mo",
"density": 9.187826691846968,
"density_atomic": 0.06886414853176602,
"volume": 101.64940900664737,
"volume_molar": 8.744957845840604,
"formula_full": "Er2 Mo2 C3",
"formula_reduced": "Er2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.280130257142858,
"spacegroup": 12
},
{
"id": "jvasp-50371",
"created_at": "2022-09-04T14:36:01.809223Z",
"updated_at": "2022-09-04T14:36:01.809247Z",
"structure_string": "Y4 Hg2 O8\n1.0\n3.620209 -0.002149 -0.001662\n-1.806183 6.825047 0.024123\n-1.806402 -1.403684 8.524101\nY Hg O\n4 2 8\ndirect\n0.158597 0.776970 0.537865 Y\n0.361459 0.521035 0.199375 Y\n0.640210 0.478982 0.799187 Y\n0.843075 0.223028 0.460687 Y\n0.048752 0.935605 0.159337 Hg\n0.952876 0.064411 0.839210 Hg\n0.621450 0.853499 0.386941 O\n0.852328 0.648985 0.053172 O\n0.753068 0.786773 0.717130 O\n0.930775 0.512350 0.346745 O\n0.070884 0.487646 0.651811 O\n0.248600 0.213236 0.281425 O\n0.149319 0.351030 0.945383 O\n0.380211 0.146479 0.611598 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Hg",
"O"
],
"chemical_system": "Hg-O-Y",
"density": 6.973838204569725,
"density_atomic": 0.06645174330955901,
"volume": 210.6791982082751,
"volume_molar": 9.06242704867266,
"formula_full": "Y4 Hg2 O8",
"formula_reduced": "Y2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8402570714285709,
"spacegroup": 12
},
{
"id": "jvasp-12026",
"created_at": "2022-09-04T14:36:01.753416Z",
"updated_at": "2022-09-04T14:36:01.753447Z",
"structure_string": "Nb2 Se4 Br4\n1.0\n6.218159 -0.000000 2.496209\n3.109080 5.898946 1.248105\n0.005365 -0.000000 7.136068\nNb Se Br\n2 4 4\ndirect\n0.126321 0.747358 0.000000 Nb\n0.873679 0.252643 0.000000 Nb\n0.854071 0.000000 0.333441 Se\n0.648585 0.000000 0.134803 Se\n0.351415 0.000000 0.865198 Se\n0.145929 0.000000 0.666560 Se\n0.571380 0.416757 0.767062 Br\n0.428619 0.583244 0.232939 Br\n0.988137 0.583244 0.767062 Br\n0.011863 0.416757 0.232939 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 5.211590339942729,
"density_atomic": 0.03821517650499373,
"volume": 261.6761432121937,
"volume_molar": 15.75850567957749,
"formula_full": "Nb2 Se4 Br4",
"formula_reduced": "Nb(SeBr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5720868686666665,
"spacegroup": 12
},
{
"id": "jvasp-86271",
"created_at": "2022-09-04T14:36:01.814778Z",
"updated_at": "2022-09-04T14:36:01.814813Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110135 0.000000 -1.443841\n-0.554881 7.181799 -1.963869\n-0.025217 0.065442 9.675724\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401297 0.039032 0.802596 Sr\n0.334008 0.528691 0.668018 Sr\n0.973339 0.736368 0.946679 Sr\n0.200431 0.803593 0.400863 Sr\n0.799568 0.196407 0.599137 Sr\n0.026660 0.263632 0.053320 Sr\n0.665990 0.471309 0.331981 Sr\n0.598702 0.960968 0.197403 Sr\n0.186444 0.204813 0.372888 Mn\n0.813555 0.795187 0.627111 Mn\n0.500000 0.500000 -0.000000 Fe\n0.724215 0.831354 0.448432 N\n0.275783 0.168646 0.551567 N\n0.822989 0.571202 0.645980 N\n0.105887 0.012931 0.211775 N\n0.894111 0.987069 0.788224 N\n0.177010 0.428798 0.354020 N\n0.476255 0.711348 0.952511 N\n0.523744 0.288651 0.047488 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Fe",
"N"
],
"chemical_system": "Fe-Mn-N-Sr",
"density": 4.571069117108386,
"density_atomic": 0.053438875398617275,
"volume": 355.54640434090464,
"volume_molar": 11.269213124488436,
"formula_full": "Sr8 Mn2 Fe1 N8",
"formula_reduced": "Sr8Mn2FeN8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 3.1812640243557166,
"spacegroup": 12
}
]
}