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=826",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=824",
"results": [
{
"id": "jvasp-37598",
"created_at": "2022-09-04T14:38:28.555351Z",
"updated_at": "2022-09-04T14:38:28.555379Z",
"structure_string": "Yb6 Y2\n1.0\n3.672614 -6.361155 -0.000000\n3.672614 6.361155 -0.000000\n-0.000000 -0.000000 6.001814\nYb Y\n6 2\ndirect\n0.830027 0.660054 0.750000 Yb\n0.830027 0.169972 0.750000 Yb\n0.339945 0.169972 0.750000 Yb\n0.169972 0.339945 0.250000 Yb\n0.169972 0.830027 0.250000 Yb\n0.660054 0.830027 0.250000 Yb\n0.666667 0.333332 0.250000 Y\n0.333332 0.666667 0.750000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Y"
],
"chemical_system": "Y-Yb",
"density": 7.200743571168878,
"density_atomic": 0.028527663011189208,
"volume": 280.4295604887865,
"volume_molar": 21.109828581605083,
"formula_full": "Yb6 Y2",
"formula_reduced": "Yb3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.202147840625,
"spacegroup": 194
},
{
"id": "jvasp-10869",
"created_at": "2022-09-04T14:38:28.553538Z",
"updated_at": "2022-09-04T14:38:28.553564Z",
"structure_string": "Zr2 Si2 O8\n1.0\n4.424897 0.000047 -1.795825\n-0.728744 4.364458 -1.795795\n-0.031082 -0.036660 6.272968\nZr Si O\n2 2 8\ndirect\n0.375000 0.125001 0.750000 Zr\n0.625002 0.875000 0.250000 Zr\n0.875002 0.625001 0.750000 Si\n0.125000 0.375001 0.249999 Si\n0.306522 0.454907 0.094439 O\n0.639534 0.806522 0.594439 O\n0.954907 0.287919 0.594439 O\n0.787920 0.139534 0.094440 O\n0.212082 0.860467 0.905559 O\n0.045095 0.712083 0.405560 O\n0.360469 0.193480 0.405561 O\n0.693480 0.545094 0.905561 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 5.049469144596043,
"density_atomic": 0.09953334255752036,
"volume": 120.56261441300633,
"volume_molar": 6.0503752865727405,
"formula_full": "Zr2 Si2 O8",
"formula_reduced": "ZrSiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6098861833333338,
"spacegroup": 88
},
{
"id": "jvasp-16843",
"created_at": "2022-09-04T14:38:28.550334Z",
"updated_at": "2022-09-04T14:38:28.550359Z",
"structure_string": "Th2 Ru2\n1.0\n3.701722 -0.000000 -1.271504\n-0.000000 4.036323 0.000000\n0.026499 -0.000000 6.101299\nTh Ru\n2 2\ndirect\n0.138057 0.749999 0.276113 Th\n0.861943 0.250000 0.723887 Th\n0.407380 0.749999 0.814761 Ru\n0.592620 0.250000 0.185240 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Ru"
],
"chemical_system": "Ru-Th",
"density": 12.11727040821786,
"density_atomic": 0.04381275436594849,
"volume": 91.2976154521073,
"volume_molar": 13.74517728262353,
"formula_full": "Th2 Ru2",
"formula_reduced": "ThRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.33556305,
"spacegroup": 63
},
{
"id": "jvasp-25202",
"created_at": "2022-09-04T14:38:28.550027Z",
"updated_at": "2022-09-04T14:38:28.550038Z",
"structure_string": "Sn1\n1.0\n3.198465 -0.122335 -0.941590\n-1.819139 2.633605 -0.941590\n0.067193 0.122335 3.333505\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.017475512339645,
"density_atomic": 0.035599549599668684,
"volume": 28.090243029628297,
"volume_molar": 16.91633975070305,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy_above_hull": 0.0627417,
"spacegroup": 139
},
{
"id": "jvasp-21791",
"created_at": "2022-09-04T14:38:28.541204Z",
"updated_at": "2022-09-04T14:38:28.541224Z",
"structure_string": "Co2 Te4 Pd4\n1.0\n4.868546 0.000000 -1.996151\n-1.186252 5.505322 -2.893228\n0.013070 0.023529 6.967060\nCo Te Pd\n2 4 4\ndirect\n0.750001 -0.000000 0.000000 Co\n0.250000 -0.000000 0.000000 Co\n0.355975 0.070609 0.711951 Te\n0.644026 0.929391 0.288049 Te\n0.144025 0.358658 0.288049 Te\n0.855976 0.641342 0.711951 Te\n0.605657 0.474035 0.211313 Pd\n0.894344 0.262722 0.788687 Pd\n0.105657 0.737278 0.211313 Pd\n0.394344 0.525965 0.788687 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"Te",
"Pd"
],
"chemical_system": "Co-Pd-Te",
"density": 9.34551847366473,
"density_atomic": 0.05339932683202087,
"volume": 187.26827833349213,
"volume_molar": 11.277559320071477,
"formula_full": "Co2 Te4 Pd4",
"formula_reduced": "Co(TePd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7480395666666666,
"spacegroup": 72
},
{
"id": "jvasp-12170",
"created_at": "2022-09-04T14:38:28.538565Z",
"updated_at": "2022-09-04T14:38:28.538593Z",
"structure_string": "W2 O4 F4\n1.0\n7.741315 0.000000 0.000000\n0.000000 3.906980 0.000000\n0.000000 0.000000 6.530263\nW O F\n2 4 4\ndirect\n0.013154 0.948036 0.000000 W\n0.513153 0.051964 0.000000 W\n0.031705 0.495763 0.000000 O\n0.284186 0.005149 0.000000 O\n0.531705 0.504237 0.000000 O\n0.784186 0.994851 0.000000 O\n0.046916 0.017907 0.281469 F\n0.046916 0.017907 0.718531 F\n0.546916 0.982093 0.281469 F\n0.546916 0.982093 0.718531 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"W",
"O",
"F"
],
"chemical_system": "F-O-W",
"density": 4.268202689103021,
"density_atomic": 0.05063063799325115,
"volume": 197.5088680757481,
"volume_molar": 11.894262049004253,
"formula_full": "W2 O4 F4",
"formula_reduced": "W(OF)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.153669513,
"spacegroup": 26
},
{
"id": "jvasp-24318",
"created_at": "2022-09-04T14:38:28.534167Z",
"updated_at": "2022-09-04T14:38:28.534185Z",
"structure_string": "Pr4 Zr4 O14\n1.0\n6.612214 0.000000 3.817563\n2.204071 6.234055 3.817563\n0.000000 0.000000 7.635127\nPr Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.500000 -0.000000 -0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n0.000000 0.500000 -0.000000 Zr\n0.916487 0.333512 0.333512 O\n0.333512 0.333512 0.916488 O\n0.666487 0.666487 0.083512 O\n0.083512 0.666487 0.083512 O\n0.916487 0.333512 0.916488 O\n0.625000 0.625000 0.625000 O\n0.916487 0.916487 0.333512 O\n0.333512 0.916487 0.333513 O\n0.666487 0.083512 0.083512 O\n0.083512 0.083512 0.666488 O\n0.666487 0.083512 0.666488 O\n0.333512 0.916487 0.916488 O\n0.083512 0.666487 0.666488 O\n0.375000 0.375000 0.375000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Zr",
"O"
],
"chemical_system": "O-Pr-Zr",
"density": 6.0808332476129126,
"density_atomic": 0.06990188466378171,
"volume": 314.7268504392539,
"volume_molar": 8.61513361043934,
"formula_full": "Pr4 Zr4 O14",
"formula_reduced": "Pr2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8407948363636364,
"spacegroup": 227
},
{
"id": "jvasp-21516",
"created_at": "2022-09-04T14:38:28.532499Z",
"updated_at": "2022-09-04T14:38:28.532533Z",
"structure_string": "Nd4 Te8 O22\n1.0\n5.183348 -0.000000 0.857354\n2.474098 6.322444 1.139511\n0.010409 -0.045074 16.034361\nNd Te O\n4 8 22\ndirect\n0.624775 0.199808 0.037096 Nd\n0.138322 0.699808 0.537096 Nd\n0.861679 0.300192 0.462903 Nd\n0.375226 0.800192 0.962903 Nd\n0.593328 0.884244 0.370648 Te\n0.848221 0.615755 0.129352 Te\n0.406673 0.115756 0.629352 Te\n0.151780 0.384245 0.870648 Te\n0.148307 0.041031 0.203476 Te\n0.851694 0.958969 0.796524 Te\n0.607186 0.541031 0.703475 Te\n0.392815 0.458969 0.296524 Te\n0.667875 0.527885 0.057362 O\n0.950797 0.811221 0.046597 O\n0.808616 0.688778 0.453402 O\n0.332126 0.472115 0.942638 O\n0.746878 0.027886 0.557362 O\n0.862216 0.250000 0.750000 O\n0.313362 0.871152 0.630482 O\n0.185004 0.371152 0.130482 O\n0.686639 0.128848 0.369517 O\n0.191385 0.311222 0.546598 O\n0.049204 0.188779 0.953402 O\n0.432809 0.548431 0.399443 O\n0.380685 0.951569 0.100557 O\n0.567192 0.451569 0.600557 O\n0.619316 0.048431 0.899443 O\n0.090951 0.373070 0.326841 O\n0.790862 0.126930 0.173159 O\n0.909050 0.626930 0.673159 O\n0.209139 0.873070 0.826841 O\n0.137785 0.750000 0.250000 O\n0.814997 0.628848 0.869517 O\n0.253123 0.972114 0.442638 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Nd",
"Te",
"O"
],
"chemical_system": "Nd-O-Te",
"density": 6.160099230134753,
"density_atomic": 0.06469005635256327,
"volume": 525.5830944820748,
"volume_molar": 9.309221694257158,
"formula_full": "Nd4 Te8 O22",
"formula_reduced": "Nd2Te4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.3481013274509803,
"spacegroup": 15
},
{
"id": "jvasp-20314",
"created_at": "2022-09-04T14:38:28.532316Z",
"updated_at": "2022-09-04T14:38:28.532341Z",
"structure_string": "Nd8 Sb6\n1.0\n7.758994 -0.000000 -2.743219\n-3.879497 6.719486 -2.743219\n0.000000 0.000000 8.229656\nNd Sb\n8 6\ndirect\n0.358561 0.500000 -0.000000 Nd\n0.641438 0.641439 0.641438 Nd\n0.500000 -0.000000 0.358562 Nd\n-0.000000 0.358562 0.500000 Nd\n0.500000 -0.000000 0.858562 Nd\n-0.000000 0.858562 0.500000 Nd\n0.858561 0.500000 -0.000000 Nd\n0.141438 0.141438 0.141438 Nd\n0.750000 0.875001 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.874999 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"Sb"
],
"chemical_system": "Nd-Sb",
"density": 7.293251095346279,
"density_atomic": 0.03262908416527744,
"volume": 429.0650613754657,
"volume_molar": 18.456358534293525,
"formula_full": "Nd8 Sb6",
"formula_reduced": "Nd4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.7009234714285717,
"spacegroup": 220
},
{
"id": "jvasp-9489",
"created_at": "2022-09-04T14:38:28.529857Z",
"updated_at": "2022-09-04T14:38:28.529875Z",
"structure_string": "Mg2 Ni2 F10\n1.0\n4.880318 -0.437458 1.162368\n-1.751207 4.697262 1.417641\n0.610341 -0.539709 7.303481\nMg Ni F\n2 2 10\ndirect\n0.699601 0.470709 0.762148 Mg\n0.296705 0.524879 0.239634 Mg\n-0.001837 0.997797 0.000883 Ni\n0.498150 -0.002210 0.500887 Ni\n0.625781 0.875757 0.257763 F\n0.370547 0.119843 0.744001 F\n0.487742 0.305582 0.350995 F\n0.120590 0.749405 0.119984 F\n0.267851 0.290230 0.047431 F\n0.892119 0.241016 0.463851 F\n0.728485 0.705349 -0.045657 F\n0.104186 0.754540 0.537903 F\n0.875759 0.246175 0.881750 F\n0.508540 0.690003 0.650799 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"F"
],
"chemical_system": "F-Mg-Ni",
"density": 3.6275588669752055,
"density_atomic": 0.08591456454465582,
"volume": 162.95258055720248,
"volume_molar": 7.009452695147947,
"formula_full": "Mg2 Ni2 F10",
"formula_reduced": "MgNiF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0028271428571429,
"spacegroup": 2
},
{
"id": "jvasp-25587",
"created_at": "2022-09-04T14:38:28.529395Z",
"updated_at": "2022-09-04T14:38:28.529418Z",
"structure_string": "K6 Sn10 Cl6 F20\n1.0\n4.341867 -0.000000 -0.000000\n-2.170933 9.509442 0.000000\n-0.000000 -0.000000 20.755025\nK Sn Cl F\n6 10 6 20\ndirect\n0.000000 0.000000 0.000000 K\n0.441202 0.882404 0.163681 K\n0.441202 0.882404 0.336320 K\n0.558799 0.117596 0.663681 K\n0.558799 0.117596 0.836320 K\n0.000000 0.000000 0.500000 K\n0.672614 0.345227 0.501123 Sn\n0.870882 0.741763 0.648971 Sn\n0.327387 0.654773 0.001123 Sn\n0.129119 0.258237 0.351029 Sn\n0.672614 0.345227 -0.001123 Sn\n0.129119 0.258237 0.148971 Sn\n0.870882 0.741763 0.851029 Sn\n0.205008 0.410015 0.750000 Sn\n0.794993 0.589984 0.250000 Sn\n0.327387 0.654773 0.498877 Sn\n0.185809 0.371618 0.613144 Cl\n0.814192 0.628382 0.113144 Cl\n0.814192 0.628382 0.386856 Cl\n0.419400 0.838800 0.750000 Cl\n0.185809 0.371618 0.886856 Cl\n0.580601 0.161200 0.250000 Cl\n0.142375 0.284750 0.463269 F\n0.376614 0.753226 0.899436 F\n0.429112 0.858222 0.035635 F\n0.857626 0.715250 0.536731 F\n0.623387 0.246774 0.399436 F\n0.429112 0.858222 0.464365 F\n0.326828 0.653654 0.250000 F\n0.623387 0.246774 0.100564 F\n0.570889 0.141778 0.535636 F\n0.673174 0.346346 0.750000 F\n0.977083 0.954162 0.871488 F\n0.022919 0.045838 0.371488 F\n0.857626 0.715250 0.963269 F\n0.094128 0.188256 0.750000 F\n0.376614 0.753226 0.600564 F\n0.022919 0.045838 0.128512 F\n0.142375 0.284750 0.036731 F\n0.905873 0.811744 0.250000 F\n0.977083 0.954162 0.628513 F\n0.570889 0.141778 0.964365 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"K",
"Sn",
"Cl",
"F"
],
"chemical_system": "Cl-F-K-Sn",
"density": 3.9033257428462975,
"density_atomic": 0.04901110335555338,
"volume": 856.9486733507916,
"volume_molar": 12.287298892889828,
"formula_full": "K6 Sn10 Cl6 F20",
"formula_reduced": "K3Sn5Cl3F10",
"formula_anonymous": "A3B3C5D10",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-108174",
"created_at": "2022-09-04T14:38:28.524804Z",
"updated_at": "2022-09-04T14:38:28.524841Z",
"structure_string": "Li2 Os2 N4\n1.0\n3.266151 -0.000000 -4.603000\n-3.266151 3.266151 0.000000\n0.000000 0.000000 9.206000\nLi Os N\n2 2 4\ndirect\n-0.000000 0.500000 0.750000 Li\n-0.000000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.038083 0.125000 N\n0.500000 0.961917 0.625000 N\n0.423834 0.461917 0.336917 N\n0.576165 0.538083 0.913083 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Os",
"N"
],
"chemical_system": "Li-N-Os",
"density": 7.615070093988945,
"density_atomic": 0.08146039249453471,
"volume": 98.20723611829798,
"volume_molar": 7.392722494436831,
"formula_full": "Li2 Os2 N4",
"formula_reduced": "LiOsN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.211420375,
"spacegroup": 122
}
]
}