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=445",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=443",
"results": [
{
"id": "jvasp-50228",
"created_at": "2022-09-04T14:37:02.250295Z",
"updated_at": "2022-09-04T14:37:02.250319Z",
"structure_string": "Rb6 In2 O6\n1.0\n3.846407 5.923820 0.093028\n-3.846407 5.923820 -0.093028\n-1.484320 0.000000 6.804663\nRb In O\n6 2 6\ndirect\n0.367695 0.632305 0.647548 Rb\n0.808533 0.808533 0.500000 Rb\n0.191467 0.191467 0.500000 Rb\n0.259241 0.259241 0.000000 Rb\n0.740759 0.740759 -0.000000 Rb\n0.632305 0.367695 0.352451 Rb\n0.180448 0.819552 0.146365 In\n0.819551 0.180448 0.853634 In\n0.095391 0.904609 0.833702 O\n0.161070 0.552301 0.271161 O\n0.447699 0.838930 0.271161 O\n0.838930 0.447699 0.728839 O\n0.552301 0.161070 0.728839 O\n0.904609 0.095391 0.166298 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"In",
"O"
],
"chemical_system": "In-O-Rb",
"density": 4.466237195469451,
"density_atomic": 0.04491063000768958,
"volume": 311.7302072494402,
"volume_molar": 13.409165622857866,
"formula_full": "Rb6 In2 O6",
"formula_reduced": "Rb3InO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4218672100000001,
"spacegroup": 12
},
{
"id": "jvasp-7720",
"created_at": "2022-09-04T14:37:02.311648Z",
"updated_at": "2022-09-04T14:37:02.311672Z",
"structure_string": "Nb3 Te6\n1.0\n3.692322 0.000000 0.000000\n-1.846161 6.976038 -2.615697\n0.000000 -0.011706 9.505739\nNb Te\n3 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.361988 0.723977 0.710502 Nb\n0.638011 0.276023 0.289498 Nb\n0.351519 0.703037 0.988025 Te\n0.648481 0.296963 0.011975 Te\n0.704077 0.408156 0.619998 Te\n0.295922 0.591844 0.380002 Te\n0.004188 0.008375 0.307834 Te\n0.995812 0.991625 0.692166 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 7.085795645282212,
"density_atomic": 0.03677467111108185,
"volume": 244.73366390727284,
"volume_molar": 16.375784141779206,
"formula_full": "Nb3 Te6",
"formula_reduced": "NbTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0140349777777784,
"spacegroup": 12
},
{
"id": "jvasp-22573",
"created_at": "2022-09-04T14:37:02.318208Z",
"updated_at": "2022-09-04T14:37:02.318235Z",
"structure_string": "Ti4 O8\n1.0\n3.756103 -0.000000 -0.000000\n-1.878051 5.870074 -1.803449\n-0.000000 0.007810 6.614866\nTi O\n4 8\ndirect\n0.194304 0.388608 0.283461 Ti\n0.899386 0.798774 0.290285 Ti\n0.805695 0.611392 0.716539 Ti\n0.100613 0.201225 0.709716 Ti\n0.941608 0.883218 0.629421 O\n0.361615 0.723230 0.294387 O\n0.867225 0.734451 0.996382 O\n0.058391 0.116781 0.370579 O\n0.263969 0.527937 0.652382 O\n0.132774 0.265548 0.003618 O\n0.736030 0.472062 0.347618 O\n0.638384 0.276769 0.705613 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.6358864320395354,
"density_atomic": 0.08224729441894899,
"volume": 145.9014559053424,
"volume_molar": 7.321992537924209,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.477311777777778,
"spacegroup": 12
},
{
"id": "jvasp-42688",
"created_at": "2022-09-04T14:37:02.326474Z",
"updated_at": "2022-09-04T14:37:02.326495Z",
"structure_string": "Fe6 O8 F4\n1.0\n-4.805492 4.805492 2.871001\n-0.228096 4.610704 -2.916894\n-4.610704 0.228096 -2.916894\nFe O F\n6 8 4\ndirect\n0.835332 0.670373 0.670373 Fe\n0.666667 0.333333 0.333333 Fe\n0.326437 0.644118 0.644118 Fe\n0.166667 0.333333 0.333333 Fe\n0.498002 0.996293 0.996293 Fe\n0.006897 0.022548 0.022548 Fe\n0.005095 0.699975 0.314108 O\n0.005095 0.314108 0.699975 O\n0.666667 0.633995 0.032671 O\n0.328239 0.966689 0.352559 O\n0.956781 0.242646 0.242646 O\n0.328239 0.352559 0.966689 O\n0.666667 0.032671 0.633995 O\n0.376552 0.424021 0.424021 O\n0.026135 0.785851 0.785851 F\n0.307199 0.880814 0.880814 F\n0.632389 0.571294 0.571294 F\n0.700944 0.095373 0.095373 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.871523790014083,
"density_atomic": 0.09796074626149795,
"volume": 183.74706897342858,
"volume_molar": 6.147503964418975,
"formula_full": "Fe6 O8 F4",
"formula_reduced": "Fe3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.405537896111111,
"spacegroup": 12
},
{
"id": "jvasp-107719",
"created_at": "2022-09-04T14:37:02.328223Z",
"updated_at": "2022-09-04T14:37:02.328244Z",
"structure_string": "Sm4 Ge4 Rh2\n1.0\n5.226110 -0.009651 2.458964\n3.431528 3.941692 2.458964\n-0.010060 -0.004569 10.537754\nSm Ge Rh\n4 4 2\ndirect\n0.990817 0.990816 0.330484 Sm\n0.009183 0.009183 0.669515 Sm\n0.809678 0.809677 0.117390 Sm\n0.190323 0.190323 0.882609 Sm\n0.646368 0.646367 0.444112 Ge\n0.353633 0.353633 0.555887 Ge\n0.518762 0.518762 0.115761 Ge\n0.481238 0.481238 0.884238 Ge\n0.728391 0.728390 0.660351 Rh\n0.271610 0.271609 0.339648 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Sm",
"density": 8.379812321518047,
"density_atomic": 0.04596821252474559,
"volume": 217.5416325926705,
"volume_molar": 13.100663326332658,
"formula_full": "Sm4 Ge4 Rh2",
"formula_reduced": "Sm2Ge2Rh",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.42345853,
"spacegroup": 12
},
{
"id": "jvasp-30335",
"created_at": "2022-09-04T14:37:02.436965Z",
"updated_at": "2022-09-04T14:37:02.436990Z",
"structure_string": "Mn1 Co5 O12\n1.0\n2.430404 4.221718 -0.446915\n-2.455990 4.224331 -0.223459\n-0.408403 -0.709414 8.747406\nMn Co O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.166668 0.666664 0.500000 Co\n0.666816 0.666367 -0.000001 Co\n0.333183 0.333634 -0.000000 Co\n0.833332 0.333337 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.964357 0.330420 0.891788 O\n0.366350 0.000000 0.108025 O\n0.705224 0.330420 0.108212 O\n0.868866 0.666730 0.607750 O\n0.202184 0.000000 0.607748 O\n0.131134 0.333271 0.392250 O\n0.464405 0.666729 0.392249 O\n0.633650 0.000001 0.891975 O\n0.294776 0.669581 0.891788 O\n0.035643 0.669581 0.108212 O\n0.535596 0.333271 0.607750 O\n0.797817 0.000001 0.392252 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.025499004272337,
"density_atomic": 0.10058344198950017,
"volume": 178.95589615912135,
"volume_molar": 5.987208869456512,
"formula_full": "Mn1 Co5 O12",
"formula_reduced": "MnCo5O12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.40340854118774,
"spacegroup": 12
},
{
"id": "jvasp-18559",
"created_at": "2022-09-04T14:37:02.534667Z",
"updated_at": "2022-09-04T14:37:02.534689Z",
"structure_string": "K5 Sb4\n1.0\n5.297420 0.000000 1.367313\n2.373210 6.044631 1.751034\n-0.017663 -0.022457 11.014061\nK Sb\n5 4\ndirect\n0.901063 0.806475 0.391398 K\n0.098937 0.193524 0.608601 K\n0.247168 0.339780 0.165883 K\n0.752833 0.660219 0.834117 K\n0.000000 0.000000 0.000000 K\n0.546203 0.733882 0.173712 Sb\n0.453798 0.266118 0.826287 Sb\n0.609040 0.391218 0.390704 Sb\n0.390961 0.608781 0.609296 Sb\n",
"nsites": 9,
"nelements": 2,
"elements": [
"K",
"Sb"
],
"chemical_system": "K-Sb",
"density": 3.211025178133723,
"density_atomic": 0.02549848769174332,
"volume": 352.9621093142044,
"volume_molar": 23.617638947073843,
"formula_full": "K5 Sb4",
"formula_reduced": "K5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.4900115814814815,
"spacegroup": 12
},
{
"id": "jvasp-107371",
"created_at": "2022-09-04T14:37:02.467546Z",
"updated_at": "2022-09-04T14:37:02.467571Z",
"structure_string": "Na1 Cr2 S4\n1.0\n6.920791 -0.028267 2.189986\n6.110496 3.249612 2.189986\n-0.030507 -0.007541 5.618116\nNa Cr S\n1 2 4\ndirect\n0.500000 0.499999 0.500001 Na\n0.752168 0.752166 0.204161 Cr\n0.247833 0.247833 0.795841 Cr\n0.361044 0.361043 0.005136 S\n0.638957 0.638956 0.994867 S\n0.839120 0.839118 0.517345 S\n0.160881 0.160881 0.482657 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Cr",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.322833825315796,
"density_atomic": 0.05487891022409895,
"volume": 127.5535532942506,
"volume_molar": 10.97350646251627,
"formula_full": "Na1 Cr2 S4",
"formula_reduced": "Na(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.558314828571429,
"spacegroup": 12
},
{
"id": "jvasp-52376",
"created_at": "2022-09-04T14:37:04.417774Z",
"updated_at": "2022-09-04T14:37:04.417788Z",
"structure_string": "Ca1 Pb1 I4\n1.0\n4.526581 0.001159 -0.020498\n-0.001811 7.920696 -0.025756\n-2.232994 -3.984685 6.980476\nCa Pb I\n1 1 4\ndirect\n0.500803 0.497214 -0.001205 Ca\n0.000801 0.997149 0.998721 Pb\n0.633146 0.951898 0.263172 I\n0.129828 0.469459 0.256602 I\n0.368495 0.042521 0.734357 I\n0.871737 0.524858 0.740911 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"I"
],
"chemical_system": "Ca-I-Pb",
"density": 5.0252215543195575,
"density_atomic": 0.02405305872970704,
"volume": 249.4485240910181,
"volume_molar": 25.036902074172698,
"formula_full": "Ca1 Pb1 I4",
"formula_reduced": "CaPbI4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-7758",
"created_at": "2022-09-04T14:37:03.007645Z",
"updated_at": "2022-09-04T14:37:03.007673Z",
"structure_string": "P8\n1.0\n5.507172 0.007034 0.029854\n0.031642 6.120894 0.609041\n0.009384 0.025589 6.151141\nP\n8\ndirect\n0.236954 0.146355 0.146355 P\n0.763045 0.853644 0.853644 P\n0.570724 0.280673 0.280673 P\n0.429275 0.719326 0.719327 P\n0.243565 0.492108 0.222502 P\n0.756434 0.777497 0.507890 P\n0.756434 0.507890 0.777497 P\n0.243564 0.222502 0.492109 P\n",
"nsites": 8,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.9852718869493389,
"density_atomic": 0.038599078646666556,
"volume": 207.25883312478717,
"volume_molar": 15.601773335385236,
"formula_full": "P8",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy_above_hull": 0.1726000000000001,
"spacegroup": 12
},
{
"id": "jvasp-58898",
"created_at": "2022-09-04T14:37:02.578422Z",
"updated_at": "2022-09-04T14:37:02.578444Z",
"structure_string": "Th2 Ta4 O14\n1.0\n3.914224 0.000000 -0.000000\n-1.957113 7.707038 -0.803075\n-0.000000 -0.009665 8.425601\nTh Ta O\n2 4 14\ndirect\n0.313706 0.627410 0.333985 Th\n0.686294 0.372590 0.666016 Th\n0.071708 0.143418 0.365696 Ta\n0.928292 0.856582 0.634305 Ta\n0.109042 0.218083 0.980314 Ta\n0.890958 0.781917 0.019686 Ta\n0.831542 0.663085 0.806717 O\n0.168458 0.336916 0.193283 O\n0.802398 0.604800 0.166171 O\n0.197602 0.395201 0.833829 O\n0.987544 0.975088 0.858886 O\n0.585173 0.170347 0.389479 O\n0.414827 0.829654 0.610521 O\n0.392707 0.785413 0.065705 O\n0.607293 0.214588 0.934296 O\n0.057151 0.114302 0.608548 O\n0.942849 0.885699 0.391453 O\n0.012456 0.024913 0.141115 O\n0.195477 0.390955 0.497031 O\n0.804523 0.609046 0.502970 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Ta",
"O"
],
"chemical_system": "O-Ta-Th",
"density": 9.224829470990175,
"density_atomic": 0.07869512768212952,
"volume": 254.14534023993582,
"volume_molar": 7.652495062114928,
"formula_full": "Th2 Ta4 O14",
"formula_reduced": "ThTa2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.69547885,
"spacegroup": 12
},
{
"id": "jvasp-48309",
"created_at": "2022-09-04T14:37:02.764129Z",
"updated_at": "2022-09-04T14:37:02.764139Z",
"structure_string": "Li2 Ni3 Te1 O8\n1.0\n-5.082829 -1.285954 2.455010\n5.297370 -1.682370 2.667252\n3.324584 3.903525 2.688036\nLi Ni Te O\n2 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500001 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.746899 0.311339 0.253102 O\n0.771204 0.232518 0.756567 O\n0.243433 0.232518 0.228797 O\n0.753817 0.742898 0.246184 O\n0.246184 0.257102 0.753817 O\n0.756568 0.767482 0.771203 O\n0.228797 0.767482 0.243433 O\n0.253102 0.688661 0.746898 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Ni-O-Te",
"density": 5.022440436742295,
"density_atomic": 0.09503642087623819,
"volume": 147.31194494615482,
"volume_molar": 6.336666200679392,
"formula_full": "Li2 Ni3 Te1 O8",
"formula_reduced": "Li2Ni3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.093194497619048,
"spacegroup": 12
}
]
}