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=-nsites&page=862",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=860",
"results": [
{
"id": "jvasp-52161",
"created_at": "2022-09-04T14:37:27.511314Z",
"updated_at": "2022-09-04T14:37:27.511341Z",
"structure_string": "Tl8 Cu2 Te6\n1.0\n8.771332 0.022500 0.031850\n-4.358138 7.612058 -0.031850\n-4.358138 -2.573570 7.163880\nTl Cu Te\n8 2 6\ndirect\n0.205650 0.193362 0.693362 Tl\n0.500000 0.987711 0.193362 Tl\n0.500000 0.693362 0.487710 Tl\n0.205651 0.512290 0.012290 Tl\n0.794349 0.487710 0.987710 Tl\n0.500000 0.306638 0.512290 Tl\n0.500000 0.012290 0.806638 Tl\n0.794349 0.806638 0.306638 Tl\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.750000 0.750000 Te\n0.177450 0.838725 0.338725 Te\n0.500000 0.661276 0.838725 Te\n0.500000 0.338725 0.161275 Te\n0.822549 0.161275 0.661275 Te\n-0.000000 0.250000 0.250000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-Tl",
"density": 8.749817762905204,
"density_atomic": 0.03335295601717183,
"volume": 479.7175995963408,
"volume_molar": 18.05579318636552,
"formula_full": "Tl8 Cu2 Te6",
"formula_reduced": "Tl4CuTe3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-29911",
"created_at": "2022-09-04T14:37:07.397019Z",
"updated_at": "2022-09-04T14:37:07.397049Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n5.406142 0.000000 -2.906539\n0.000000 6.737126 0.000000\n0.086899 0.000000 5.620414\nCu H Cl O\n4 4 4 4\ndirect\n0.030498 0.381824 0.777610 Cu\n0.969502 0.881824 0.722389 Cu\n0.969502 0.618177 0.222389 Cu\n0.030498 0.118177 0.277610 Cu\n0.702587 0.339719 0.941107 H\n0.297413 0.839720 0.558892 H\n0.297413 0.660281 0.058892 H\n0.702587 0.160281 0.441107 H\n0.322473 0.414630 0.636473 Cl\n0.677527 0.914630 0.863526 Cl\n0.677527 0.585371 0.363526 Cl\n0.322473 0.085371 0.136473 Cl\n0.884483 0.354320 0.038535 O\n0.115517 0.854320 0.461465 O\n0.115517 0.645680 0.961464 O\n0.884483 0.145680 0.538534 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 3.7330620448650533,
"density_atomic": 0.07751653955382007,
"volume": 206.40756272267714,
"volume_molar": 7.768846229028067,
"formula_full": "Cu4 H4 Cl4 O4",
"formula_reduced": "CuHClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.978369504375,
"spacegroup": 14
},
{
"id": "jvasp-34586",
"created_at": "2022-09-04T14:37:11.324193Z",
"updated_at": "2022-09-04T14:37:11.324218Z",
"structure_string": "Zn8 S8\n1.0\n1.920298 -3.326054 0.000000\n1.920298 3.326054 -0.000000\n0.000000 0.000000 25.126885\nZn S\n8 8\ndirect\n0.333334 0.666667 0.874758 Zn\n0.000000 -0.000000 0.999612 Zn\n0.666667 0.333334 0.375239 Zn\n0.666667 0.333334 0.124755 Zn\n0.000000 -0.000000 0.250148 Zn\n0.333334 0.666667 0.500119 Zn\n0.000000 -0.000000 0.625001 Zn\n0.666667 0.333334 0.749876 Zn\n0.666667 0.333334 0.656240 S\n0.666667 0.333334 0.281608 S\n0.333334 0.666667 0.781119 S\n0.000000 -0.000000 0.156324 S\n0.666667 0.333334 0.030957 S\n0.000000 -0.000000 0.906003 S\n0.333334 0.666667 0.406480 S\n0.000000 -0.000000 0.531363 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034235991075288,
"density_atomic": 0.0498486509340116,
"volume": 320.97157496158525,
"volume_molar": 12.080850027359737,
"formula_full": "Zn8 S8",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00039,
"spacegroup": 156
},
{
"id": "jvasp-30616",
"created_at": "2022-09-04T14:37:11.892503Z",
"updated_at": "2022-09-04T14:37:11.892518Z",
"structure_string": "Sn4 F12\n1.0\n4.064317 -0.440817 0.082509\n-1.355826 7.690024 -1.645640\n1.643971 -0.750886 8.298540\nSn F\n4 12\ndirect\n0.253503 0.754076 0.244770 Sn\n0.746496 0.245923 0.755229 Sn\n0.063996 0.751718 0.749870 Sn\n-0.063997 0.248281 0.250130 Sn\n0.884025 0.321554 0.544073 F\n0.115974 0.678445 0.455927 F\n0.385846 0.817524 0.030131 F\n0.614153 0.182475 -0.030131 F\n0.757284 0.759427 0.242984 F\n0.242716 0.240572 0.757016 F\n0.662440 -0.013915 0.634395 F\n0.337560 0.013914 0.365605 F\n0.514900 0.377109 0.315772 F\n0.485099 0.622890 0.684228 F\n0.832446 0.510124 0.872895 F\n0.167554 0.489874 0.127104 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.675356132658349,
"density_atomic": 0.06409747965430344,
"volume": 249.6197991916797,
"volume_molar": 9.395284795095185,
"formula_full": "Sn4 F12",
"formula_reduced": "SnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.002255,
"spacegroup": 2
},
{
"id": "jvasp-10337",
"created_at": "2022-09-04T14:37:28.589905Z",
"updated_at": "2022-09-04T14:37:28.589928Z",
"structure_string": "Ca2 V4 O10\n1.0\n3.759646 0.000000 0.000000\n-1.879822 5.557237 0.000000\n0.000000 0.000000 11.186433\nCa V O\n2 4 10\ndirect\n0.898827 0.797649 0.750000 Ca\n0.101176 0.202352 0.250000 Ca\n0.202715 0.405431 0.596354 V\n0.797288 0.594571 0.403645 V\n0.797288 0.594571 0.096355 V\n0.202715 0.405431 0.903646 V\n0.711603 0.423203 0.250000 O\n0.288401 0.576799 0.750000 O\n0.240679 0.481355 0.074665 O\n0.759325 0.518647 0.925335 O\n0.759325 0.518647 0.574665 O\n0.240679 0.481355 0.425334 O\n0.055643 0.111284 0.616895 O\n0.944359 0.888715 0.383105 O\n0.055643 0.111284 0.883105 O\n0.944359 0.888715 0.116896 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 3.1539325186451572,
"density_atomic": 0.06845772833197697,
"volume": 233.72087257131952,
"volume_molar": 8.796874957340682,
"formula_full": "Ca2 V4 O10",
"formula_reduced": "CaV2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.61873829,
"spacegroup": 63
},
{
"id": "jvasp-10696",
"created_at": "2022-09-04T14:37:11.550842Z",
"updated_at": "2022-09-04T14:37:11.550875Z",
"structure_string": "Sr4 Li2 Re2 N8\n1.0\n0.000000 6.188251 0.011755\n5.865837 0.000000 0.000000\n0.000000 -1.961897 -6.620717\nSr Li Re N\n4 2 2 8\ndirect\n0.261582 0.250000 0.942714 Sr\n0.738417 0.750000 0.057286 Sr\n0.783174 0.750000 0.569148 Sr\n0.216825 0.250000 0.430852 Sr\n0.307162 0.750000 0.689107 Li\n0.692837 0.250000 0.310893 Li\n0.716693 0.250000 0.798112 Re\n0.283307 0.750000 0.201888 Re\n0.472674 0.503800 0.252274 N\n0.527326 0.003800 0.747726 N\n0.527326 0.496201 0.747726 N\n0.472674 0.996201 0.252274 N\n0.099760 0.750000 0.373613 N\n0.900239 0.250000 0.626387 N\n0.116795 0.750000 0.934099 N\n0.883204 0.250000 0.065901 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Re",
"N"
],
"chemical_system": "Li-N-Re-Sr",
"density": 5.868285132177042,
"density_atomic": 0.06661339632453529,
"volume": 240.19192659160092,
"volume_molar": 9.040434945938799,
"formula_full": "Sr4 Li2 Re2 N8",
"formula_reduced": "Sr2LiReN4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 3.8222642025,
"spacegroup": 11
},
{
"id": "jvasp-9788",
"created_at": "2022-09-04T14:37:11.995578Z",
"updated_at": "2022-09-04T14:37:11.995612Z",
"structure_string": "Na4 Zn2 Si2 O8\n1.0\n0.000000 5.292087 0.001584\n5.503005 0.000000 0.000000\n0.000000 -5.262404 -7.025551\nNa Zn Si O\n4 2 2 8\ndirect\n0.734961 0.677022 0.747096 Na\n0.484291 0.817131 0.992086 Na\n0.734961 0.322979 0.247096 Na\n0.484291 0.182870 0.492086 Na\n0.998173 0.812818 0.497647 Zn\n0.998174 0.187183 0.997647 Zn\n0.249483 0.686564 0.245285 Si\n0.249483 0.313437 0.745285 Si\n0.308053 0.208086 0.940475 O\n0.308053 0.791915 0.440475 O\n0.973450 0.159693 0.551982 O\n0.973449 0.840307 0.051982 O\n0.584799 0.291474 0.770921 O\n0.142697 0.397188 0.219009 O\n0.142697 0.602813 0.719009 O\n0.584799 0.708527 0.270921 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Zn",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Zn",
"density": 3.303490643904984,
"density_atomic": 0.07821860896037332,
"volume": 204.55490340036386,
"volume_molar": 7.699115133907461,
"formula_full": "Na4 Zn2 Si2 O8",
"formula_reduced": "Na2ZnSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1363813749999998,
"spacegroup": 7
},
{
"id": "jvasp-10353",
"created_at": "2022-09-04T14:37:27.562289Z",
"updated_at": "2022-09-04T14:37:27.562317Z",
"structure_string": "V4 Zn2 O10\n1.0\n3.614645 -0.000000 0.000000\n-1.807322 5.085631 -0.000000\n-0.000000 0.000000 11.345214\nV Zn O\n4 2 10\ndirect\n0.202636 0.405272 0.597878 V\n0.797364 0.594729 0.402122 V\n0.797364 0.594729 0.097878 V\n0.202636 0.405272 0.902122 V\n0.900279 0.800557 0.750000 Zn\n0.099721 0.199444 0.250000 Zn\n0.696634 0.393269 0.250000 O\n0.303366 0.606732 0.750000 O\n0.233974 0.467946 0.073472 O\n0.766027 0.532055 0.926527 O\n0.766027 0.532055 0.573472 O\n0.233974 0.467946 0.426526 O\n0.043327 0.086654 0.627834 O\n0.956672 0.913345 0.372166 O\n0.043327 0.086654 0.872166 O\n0.956672 0.913345 0.127835 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 3.937863904895824,
"density_atomic": 0.07671791543400988,
"volume": 208.55624021435582,
"volume_molar": 7.849718968420146,
"formula_full": "V4 Zn2 O10",
"formula_reduced": "V2ZnO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.5154732875,
"spacegroup": 63
},
{
"id": "jvasp-29913",
"created_at": "2022-09-04T14:37:11.432631Z",
"updated_at": "2022-09-04T14:37:11.432641Z",
"structure_string": "Ga2 H6 N2 F6\n1.0\n5.522376 0.000000 0.000000\n0.000000 2.761918 4.813368\n0.000000 -2.761918 4.813368\nGa H N F\n2 6 2 6\ndirect\n0.251143 0.641546 0.141546 Ga\n0.748858 0.141546 0.641546 Ga\n0.024469 0.873133 0.373133 H\n0.975532 0.373133 0.873133 H\n0.284091 0.040812 0.237415 H\n0.715910 0.237415 0.040812 H\n0.715910 0.540813 0.737415 H\n0.284091 0.737415 0.540813 H\n0.205712 0.845678 0.345678 N\n0.794288 0.345678 0.845678 N\n0.500000 0.906196 0.906196 F\n0.500000 0.406196 0.406196 F\n0.000000 0.869147 0.869147 F\n0.000000 0.369147 0.369147 F\n0.288482 0.447673 0.947673 F\n0.711519 0.947673 0.447673 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ga",
"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 3.2513767280585575,
"density_atomic": 0.10896930153836096,
"volume": 146.83034372178156,
"volume_molar": 5.526456235823443,
"formula_full": "Ga2 H6 N2 F6",
"formula_reduced": "GaH3NF3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.5447058028124998,
"spacegroup": 39
},
{
"id": "jvasp-12682",
"created_at": "2022-09-04T14:37:11.005611Z",
"updated_at": "2022-09-04T14:37:11.005642Z",
"structure_string": "Li2 Ti2 P2 O8 F2\n1.0\n5.195155 -0.010697 -0.004141\n-0.740733 5.348901 -0.008787\n-2.371341 -2.427678 6.554340\nLi Ti P O F\n2 2 2 8 2\ndirect\n0.261350 0.613264 0.182736 Li\n0.738649 0.386735 0.817264 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.319811 0.633668 0.765733 P\n0.680189 0.366331 0.234266 P\n0.370767 0.237941 0.082398 O\n0.681503 0.660515 0.335349 O\n0.318497 0.339484 0.664650 O\n0.763140 0.225592 0.389510 O\n0.629232 0.762057 0.917601 O\n0.236860 0.774406 0.610489 O\n0.874010 0.348287 0.109586 O\n0.125989 0.651712 0.890414 O\n0.139500 0.928516 0.267785 F\n0.860499 0.071483 0.732215 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Ti",
"P",
"O",
"F"
],
"chemical_system": "F-Li-O-P-Ti",
"density": 3.0813017935140974,
"density_atomic": 0.08795487063835074,
"volume": 181.91147214334666,
"volume_molar": 6.846853069412828,
"formula_full": "Li2 Ti2 P2 O8 F2",
"formula_reduced": "LiTiPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 2.128503514479166,
"spacegroup": 2
},
{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.594885061626862,
"density_atomic": 0.08086318769438886,
"volume": 197.86506636950512,
"volume_molar": 7.447320507274387,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.628275129094827,
"spacegroup": 63
},
{
"id": "jvasp-9503",
"created_at": "2022-09-04T14:37:11.441679Z",
"updated_at": "2022-09-04T14:37:11.441707Z",
"structure_string": "Mg2 Co2 P2 O10\n1.0\n5.420128 -0.237313 -0.100810\n-1.427334 4.899628 0.274326\n-1.677044 -1.599404 6.012222\nMg Co P O\n2 2 2 10\ndirect\n0.776413 0.618920 0.224355 Mg\n0.233718 0.372575 0.746546 Mg\n0.505067 0.995733 0.485440 Co\n0.505095 0.995755 0.985435 Co\n0.158783 0.283033 0.240242 P\n0.851378 0.708468 0.730655 P\n0.350481 0.325458 0.093494 O\n0.132230 -0.008130 0.305788 O\n0.659684 0.666047 0.877405 O\n0.877909 0.999621 0.665094 O\n0.750110 0.475452 0.518822 O\n0.132815 0.702026 0.867646 O\n0.260075 0.516042 0.452082 O\n0.877362 0.289504 0.103252 O\n0.435793 0.101328 0.728117 O\n0.574364 0.890198 0.242758 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P",
"density": 4.055054850416699,
"density_atomic": 0.10059314043757177,
"volume": 159.05657115784769,
"volume_molar": 5.986631626971969,
"formula_full": "Mg2 Co2 P2 O10",
"formula_reduced": "MgCoPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.27591286875,
"spacegroup": 2
}
]
}