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=formula_full&page=908",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=906",
"results": [
{
"id": "jvasp-86715",
"created_at": "2022-09-04T14:36:00.996135Z",
"updated_at": "2022-09-04T14:36:00.996165Z",
"structure_string": "Ca8 Ti2 N8\n1.0\n5.883381 0.014027 1.098294\n1.930148 5.374599 1.898912\n0.011903 -0.004267 8.976162\nCa Ti N\n8 2 8\ndirect\n0.234406 0.955108 0.607566 Ca\n0.772974 0.579399 0.176812 Ca\n0.738370 0.229746 0.980501 Ca\n0.271055 0.519762 0.426933 Ca\n0.765594 0.044892 0.392433 Ca\n0.227025 0.420601 0.823187 Ca\n0.728944 0.480238 0.573066 Ca\n0.261630 0.770255 0.019498 Ca\n0.284874 0.151705 0.243562 Ti\n0.715126 0.848295 0.756437 Ti\n0.970644 0.708419 0.609436 N\n0.510993 0.177260 0.635742 N\n0.029356 0.291581 0.390563 N\n0.516838 0.634168 0.804184 N\n0.116425 0.167870 0.072235 N\n0.489007 0.822740 0.364257 N\n0.483162 0.365832 0.195815 N\n0.883575 0.832130 0.927764 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"N"
],
"chemical_system": "Ca-N-Ti",
"density": 3.094408831211785,
"density_atomic": 0.06347880705603687,
"volume": 283.55920400505056,
"volume_molar": 9.486852446177613,
"formula_full": "Ca8 Ti2 N8",
"formula_reduced": "Ca4TiN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.8314003348148145,
"spacegroup": 2
},
{
"id": "jvasp-20955",
"created_at": "2022-09-04T14:38:07.150320Z",
"updated_at": "2022-09-04T14:38:07.150348Z",
"structure_string": "Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.980880887125402,
"density_atomic": 0.0881744179162604,
"volume": 453.6463176653818,
"volume_molar": 6.82980495059151,
"formula_full": "Ca8 Ti8 O24",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5786858506666666,
"spacegroup": 62
},
{
"id": "jvasp-49387",
"created_at": "2022-09-04T14:36:59.129773Z",
"updated_at": "2022-09-04T14:36:59.129794Z",
"structure_string": "Ca8 V4 N12\n1.0\n5.593152 -0.000000 0.228013\n2.796576 5.207212 0.114006\n-0.001046 0.000000 11.613302\nCa V N\n8 4 12\ndirect\n0.535569 0.406719 0.147910 Ca\n0.384811 0.774720 0.422760 Ca\n0.615189 0.225279 0.577240 Ca\n0.159531 0.225279 0.922760 Ca\n0.942287 0.593281 0.647910 Ca\n0.464432 0.593281 0.852090 Ca\n0.057713 0.406719 0.352090 Ca\n0.840469 0.774720 0.077240 Ca\n0.768261 0.998939 0.337816 V\n0.231739 0.001061 0.662184 V\n0.767199 0.001061 0.837816 V\n0.232801 0.998939 0.162184 V\n0.907696 0.184607 0.750000 N\n0.807562 0.814143 0.463138 N\n0.621704 0.185857 0.963138 N\n0.337341 0.672976 0.628456 N\n0.989682 0.672976 0.871544 N\n0.662658 0.327023 0.371544 N\n0.010318 0.327023 0.128456 N\n0.504900 0.990202 0.250000 N\n0.495100 0.009797 0.750000 N\n0.092304 0.815393 0.250000 N\n0.378296 0.814143 0.036862 N\n0.192438 0.185857 0.536861 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"V",
"N"
],
"chemical_system": "Ca-N-V",
"density": 3.3996257937501224,
"density_atomic": 0.0709564772213744,
"volume": 338.2355063248605,
"volume_molar": 8.487090954659086,
"formula_full": "Ca8 V4 N12",
"formula_reduced": "Ca2VN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.269339131666667,
"spacegroup": 15
},
{
"id": "jvasp-119506",
"created_at": "2022-09-04T14:38:51.487459Z",
"updated_at": "2022-09-04T14:38:51.487485Z",
"structure_string": "Ca8 Yb3 Se12\n1.0\n5.889571 0.000000 0.000000\n0.000000 5.889571 0.000000\n-0.000000 -0.000000 17.730016\nYb Ca Se\n3 8 12\ndirect\n-0.000000 0.500000 0.164703 Yb\n0.500000 0.500000 -0.000000 Yb\n0.500000 -0.000000 0.835297 Yb\n0.000000 0.000000 0.331701 Ca\n-0.000000 0.500000 0.499890 Ca\n0.000000 0.000000 0.668299 Ca\n-0.000000 0.500000 0.836238 Ca\n0.500000 -0.000000 0.163762 Ca\n0.500000 0.500000 0.332233 Ca\n0.500000 -0.000000 0.500111 Ca\n0.500000 0.500000 0.667767 Ca\n-0.000000 0.500000 0.666880 Se\n0.500000 -0.000000 0.999046 Se\n0.500000 0.500000 0.833840 Se\n0.000000 0.000000 0.500000 Se\n-0.000000 0.500000 0.332566 Se\n0.500000 0.500000 0.166160 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.165990 Se\n0.500000 -0.000000 0.333120 Se\n0.000000 0.000000 0.834011 Se\n0.500000 -0.000000 0.667434 Se\n-0.000000 0.500000 0.000954 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Se"
],
"chemical_system": "Ca-Se-Yb",
"density": 4.825711497507305,
"density_atomic": 0.0373982590176489,
"volume": 615.001890573192,
"volume_molar": 16.102730229121214,
"formula_full": "Ca8 Yb3 Se12",
"formula_reduced": "Ca8(YbSe4)3",
"formula_anonymous": "A3B8C12",
"energy_above_hull": 0.5138432982608696,
"spacegroup": 115
},
{
"id": "jvasp-117238",
"created_at": "2022-09-04T14:38:43.969086Z",
"updated_at": "2022-09-04T14:38:43.969115Z",
"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 3.022609633627915,
"density_atomic": 0.0591755730504371,
"volume": 321.0784284895008,
"volume_molar": 10.176734165070359,
"formula_full": "Ca9 Fe2 N8",
"formula_reduced": "Ca9(FeN4)2",
"formula_anonymous": "A2B8C9",
"energy_above_hull": 2.8824363568421054,
"spacegroup": 12
},
{
"id": "jvasp-86687",
"created_at": "2022-09-04T14:35:45.061058Z",
"updated_at": "2022-09-04T14:35:45.061077Z",
"structure_string": "Ca9 N6\n1.0\n3.776799 0.000000 -0.000000\n-1.888400 7.324726 -1.359181\n-0.000000 0.013970 9.306858\nCa N\n9 6\ndirect\n0.126871 0.253742 0.278626 Ca\n0.790466 0.580931 0.378615 Ca\n0.827811 0.655622 0.034964 Ca\n0.209535 0.419070 0.621385 Ca\n0.172189 0.344378 0.965036 Ca\n0.873130 0.746259 0.721374 Ca\n0.469621 0.939241 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530380 0.060760 0.659551 Ca\n0.359073 0.718145 0.512239 N\n0.030691 0.061383 0.811904 N\n0.969309 0.938617 0.188097 N\n0.317709 0.635419 0.869376 N\n0.640927 0.281855 0.487761 N\n0.682291 0.364582 0.130625 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.867597180761956,
"density_atomic": 0.05824410367903749,
"volume": 257.53679862016,
"volume_molar": 10.33948568113585,
"formula_full": "Ca9 N6",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.718789552,
"spacegroup": 12
},
{
"id": "jvasp-86087",
"created_at": "2022-09-04T14:35:54.164338Z",
"updated_at": "2022-09-04T14:35:54.164359Z",
"structure_string": "Ca9 N6\n1.0\n3.776797 0.000000 -0.000000\n-1.888399 7.324701 -1.359168\n-0.000000 0.013990 9.306880\nCa N\n9 6\ndirect\n0.126873 0.253745 0.278625 Ca\n0.790467 0.580933 0.378616 Ca\n0.827811 0.655622 0.034966 Ca\n0.209533 0.419067 0.621383 Ca\n0.172189 0.344378 0.965033 Ca\n0.873128 0.746255 0.721375 Ca\n0.469622 0.939243 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530379 0.060757 0.659551 Ca\n0.359073 0.718145 0.512241 N\n0.030691 0.061382 0.811902 N\n0.969310 0.938617 0.188097 N\n0.317708 0.635415 0.869376 N\n0.640927 0.281855 0.487759 N\n0.682293 0.364585 0.130624 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.8676005717864146,
"density_atomic": 0.05824417255453419,
"volume": 257.53649407510176,
"volume_molar": 10.339473454381126,
"formula_full": "Ca9 N6",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.718789552,
"spacegroup": 12
},
{
"id": "jvasp-57811",
"created_at": "2022-09-04T14:38:01.883400Z",
"updated_at": "2022-09-04T14:38:01.883425Z",
"structure_string": "Ca9 Si3 O15\n1.0\n6.588108 -0.023578 6.673227\n2.723819 5.998710 6.673227\n-0.036744 -0.023578 9.377301\nCa Si O\n9 3 15\ndirect\n0.998994 0.497891 0.497892 Ca\n0.253911 0.705177 0.705177 Ca\n0.705178 0.705177 0.253910 Ca\n0.292146 0.743539 0.292145 Ca\n0.497893 0.497891 0.998993 Ca\n0.292146 0.292145 0.743539 Ca\n0.705178 0.253909 0.705177 Ca\n0.497892 0.998993 0.497892 Ca\n0.743539 0.292145 0.292145 Ca\n0.778711 0.778710 0.778710 Si\n0.992549 0.992547 0.992548 Si\n0.213504 0.213503 0.213503 Si\n0.673138 0.051022 0.673137 O\n0.613782 0.613781 0.613781 O\n0.763691 0.140256 0.140256 O\n0.499761 0.499760 0.499761 O\n0.140257 0.140256 0.763690 O\n0.147172 0.147171 0.147171 O\n0.360949 0.987802 0.360948 O\n0.987803 0.360948 0.360948 O\n0.673137 0.673137 0.051022 O\n0.713978 0.713977 0.713977 O\n0.051023 0.673137 0.673137 O\n0.384085 0.384084 0.384085 O\n0.926396 0.926394 0.926395 O\n0.140256 0.763691 0.140256 O\n0.360949 0.360948 0.987802 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 3.0470094476718126,
"density_atomic": 0.07233190688164737,
"volume": 373.2792506656652,
"volume_molar": 8.325704408503555,
"formula_full": "Ca9 Si3 O15",
"formula_reduced": "Ca3SiO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.4641408177777775,
"spacegroup": 160
},
{
"id": "jvasp-116912",
"created_at": "2022-09-04T14:38:47.038000Z",
"updated_at": "2022-09-04T14:38:47.038028Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.775530535856609,
"density_atomic": 0.03767678437029836,
"volume": 716.6216663990264,
"volume_molar": 15.98369091378037,
"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.954610328888889,
"spacegroup": 8
},
{
"id": "jvasp-120329",
"created_at": "2022-09-04T14:38:53.993795Z",
"updated_at": "2022-09-04T14:38:53.993824Z",
"structure_string": "Cd1\n1.0\n13.037367 0.000000 0.000000\n0.000000 13.037367 0.000000\n-0.000000 -0.000000 13.037367\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 0.08423415734708728,
"density_atomic": 0.00045126362412882136,
"volume": 2215.9995765901394,
"volume_molar": 1334.5061374326222,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy_above_hull": 0.8745099999999999,
"spacegroup": 221
},
{
"id": "jvasp-106496",
"created_at": "2022-09-04T14:36:46.496448Z",
"updated_at": "2022-09-04T14:36:46.496473Z",
"structure_string": "Cd1\n1.0\n2.775527 -0.035268 1.311652\n0.816469 2.652955 1.311652\n-0.048395 -0.035268 3.069468\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.133027624531897,
"density_atomic": 0.04357068007296914,
"volume": 22.951213943075246,
"volume_molar": 13.821544097807376,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-29684",
"created_at": "2022-09-04T14:37:51.346429Z",
"updated_at": "2022-09-04T14:37:51.346455Z",
"structure_string": "Cd10 I20\n1.0\n4.287242 0.000000 -0.000000\n-2.143621 3.712861 0.000000\n-0.000000 -0.000000 68.763770\nCd I\n10 20\ndirect\n0.000000 0.000000 0.924982 Cd\n0.000000 0.000000 0.825006 Cd\n0.000000 0.000000 0.125003 Cd\n0.000000 0.000000 0.524979 Cd\n0.000000 0.000000 0.324997 Cd\n0.000000 0.000000 0.624998 Cd\n0.666667 0.333333 0.024987 Cd\n0.000000 0.000000 0.424989 Cd\n0.000000 0.000000 0.725020 Cd\n0.000000 0.000000 0.225016 Cd\n0.333333 0.666667 0.550191 I\n0.333333 0.666667 0.650211 I\n0.333333 0.666667 0.850217 I\n0.666667 0.333333 0.499773 I\n0.333333 0.666667 0.250226 I\n0.666667 0.333333 0.399782 I\n0.333333 0.666667 0.150216 I\n0.666667 0.333333 0.299788 I\n0.000000 0.000000 0.999787 I\n0.333333 0.666667 0.950203 I\n0.333333 0.666667 0.050207 I\n0.666667 0.333333 0.799797 I\n0.666667 0.333333 0.699811 I\n0.666667 0.333333 0.199808 I\n0.666667 0.333333 0.899780 I\n0.666667 0.333333 0.099796 I\n0.333333 0.666667 0.350209 I\n0.333333 0.666667 0.450201 I\n0.666667 0.333333 0.599788 I\n0.333333 0.666667 0.750230 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.5557758584475545,
"density_atomic": 0.027407844801249703,
"volume": 1094.577126277076,
"volume_molar": 21.972325090389493,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001733333333333,
"spacegroup": 156
}
]
}