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=410",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=408",
"results": [
{
"id": "jvasp-112794",
"created_at": "2022-09-04T14:38:44.242384Z",
"updated_at": "2022-09-04T14:38:44.242410Z",
"structure_string": "Tl2 Mo4 Cl14 O4\n1.0\n6.935799 -0.000000 0.000000\n0.000000 8.827978 0.000000\n-0.000000 -0.000000 9.499415\nTl Mo Cl O\n2 4 14 4\ndirect\n0.500000 0.445234 -0.000000 Tl\n-0.000000 0.554766 0.500000 Tl\n-0.000000 0.177307 0.815434 Mo\n0.500000 0.822694 0.684565 Mo\n0.500000 0.822694 0.315434 Mo\n-0.000000 0.177307 0.184566 Mo\n0.761471 0.098723 -0.000000 Cl\n0.741599 0.695559 0.193878 Cl\n0.741599 0.695559 0.806121 Cl\n0.238529 0.098723 -0.000000 Cl\n0.758401 0.304441 0.693878 Cl\n0.241599 0.304441 0.693878 Cl\n-0.000000 0.407897 -0.000000 Cl\n0.261471 0.901277 0.500000 Cl\n0.241599 0.304441 0.306121 Cl\n0.258401 0.695559 0.193878 Cl\n0.758401 0.304441 0.306121 Cl\n0.500000 0.592104 0.500000 Cl\n0.738529 0.901277 0.500000 Cl\n0.258401 0.695559 0.806121 Cl\n0.500000 0.992644 0.239958 O\n0.500000 0.992644 0.760042 O\n-0.000000 0.007356 0.739958 O\n-0.000000 0.007356 0.260042 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tl",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tl",
"density": 3.8623296843796084,
"density_atomic": 0.04126260473456729,
"volume": 581.6404503396332,
"volume_molar": 14.594669431896087,
"formula_full": "Tl2 Mo4 Cl14 O4",
"formula_reduced": "TlMo2Cl7O2",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.610390822708333,
"spacegroup": 59
},
{
"id": "jvasp-112737",
"created_at": "2022-09-04T14:38:43.681374Z",
"updated_at": "2022-09-04T14:38:43.681392Z",
"structure_string": "Li12 C4 N8\n1.0\n4.632535 -0.000000 -1.892578\n0.000000 6.750165 0.000000\n-0.010025 -0.000000 6.776525\nLi C N\n12 4 8\ndirect\n0.253094 0.027509 0.995623 Li\n0.251009 0.699895 0.179036 Li\n0.251008 0.800104 0.679036 Li\n0.748989 0.300105 0.820962 Li\n0.254564 0.017276 0.370859 Li\n0.745434 0.517276 0.129140 Li\n0.748990 0.199895 0.320962 Li\n0.254564 0.482723 0.870859 Li\n0.253095 0.472491 0.495624 Li\n0.746904 0.972491 0.004375 Li\n0.746903 0.527508 0.504375 Li\n0.745434 0.982723 0.629139 Li\n0.842908 0.863948 0.370415 C\n0.157091 0.363948 0.129584 C\n0.157090 0.136051 0.629584 C\n0.842907 0.636051 0.870414 C\n0.001389 0.709688 0.371369 N\n0.425639 0.074227 0.720621 N\n0.574358 0.574227 0.779377 N\n0.574359 0.925772 0.279377 N\n0.425640 0.425772 0.220622 N\n-0.001390 0.290311 0.628630 N\n0.001388 0.790311 0.871369 N\n-0.001389 0.209688 0.128630 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"C",
"N"
],
"chemical_system": "C-Li-N",
"density": 1.9084087098126454,
"density_atomic": 0.11332706947815141,
"volume": 211.7764106185329,
"volume_molar": 5.313947309968182,
"formula_full": "Li12 C4 N8",
"formula_reduced": "Li3CN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.3106610833333328,
"spacegroup": 14
},
{
"id": "jvasp-12820",
"created_at": "2022-09-04T14:38:30.916998Z",
"updated_at": "2022-09-04T14:38:30.917026Z",
"structure_string": "Na12 Tl4 O8\n1.0\n5.332024 -0.000000 0.000000\n0.000000 6.756714 0.000000\n0.000000 0.000000 11.548850\nNa Tl O\n12 4 8\ndirect\n0.744626 0.002067 0.333418 Na\n0.744626 0.497933 0.333418 Na\n0.755373 0.497933 0.833418 Na\n0.255374 0.502066 0.666582 Na\n0.750563 0.250000 0.576283 Na\n0.250563 0.750000 0.923717 Na\n0.244626 0.997933 0.166582 Na\n0.749436 0.250000 0.076283 Na\n0.255374 0.997933 0.666582 Na\n0.755373 0.002067 0.833418 Na\n0.244626 0.502066 0.166582 Na\n0.249436 0.750000 0.423717 Na\n0.252830 0.250000 0.409028 Tl\n0.752830 0.750000 0.090972 Tl\n0.747169 0.750000 0.590972 Tl\n0.247169 0.250000 0.909028 Tl\n0.500000 0.000000 0.500000 O\n0.492425 0.750000 0.759487 O\n0.992424 0.250000 0.740513 O\n0.507575 0.250000 0.240513 O\n0.007575 0.750000 0.259487 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Tl",
"O"
],
"chemical_system": "Na-O-Tl",
"density": 4.874641066641333,
"density_atomic": 0.05768260551132105,
"volume": 416.06997096013026,
"volume_molar": 10.440133046379238,
"formula_full": "Na12 Tl4 O8",
"formula_reduced": "Na3TlO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1932035833333335,
"spacegroup": 62
},
{
"id": "jvasp-112830",
"created_at": "2022-09-04T14:38:44.059571Z",
"updated_at": "2022-09-04T14:38:44.059595Z",
"structure_string": "V4 Ge4 O16\n1.0\n4.334064 -0.000482 0.000515\n0.000518 4.729152 -0.000021\n-0.001337 0.000049 11.266527\nV Ge O\n4 4 16\ndirect\n0.500004 0.749997 0.056963 V\n-0.000003 0.249999 0.443037 V\n-0.000002 0.750002 0.556963 V\n0.500001 0.250002 0.943038 V\n0.000001 0.750002 0.815951 Ge\n0.499997 0.250003 0.684050 Ge\n0.499999 0.749998 0.315951 Ge\n0.000002 0.249997 0.184050 Ge\n0.744444 0.911669 0.439586 O\n0.755557 0.411669 0.060415 O\n0.244448 0.588331 0.939586 O\n0.255550 0.088333 0.560415 O\n0.244451 0.088329 0.060415 O\n0.255548 0.588330 0.439586 O\n0.772808 0.919203 0.687917 O\n0.227190 0.580802 0.687917 O\n0.727192 0.919197 0.187918 O\n0.772808 0.419198 0.312084 O\n0.755554 0.911671 0.939586 O\n0.272808 0.080802 0.812083 O\n0.272812 0.580797 0.187917 O\n0.227189 0.080798 0.312084 O\n0.727190 0.419203 0.812084 O\n0.744444 0.411671 0.560415 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Ge",
"O"
],
"chemical_system": "Ge-O-V",
"density": 5.395415189747034,
"density_atomic": 0.1039303944070334,
"volume": 230.92378448989913,
"volume_molar": 5.794398062625323,
"formula_full": "V4 Ge4 O16",
"formula_reduced": "VGeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.388657358333333,
"spacegroup": 60
},
{
"id": "jvasp-59085",
"created_at": "2022-09-04T14:38:36.162002Z",
"updated_at": "2022-09-04T14:38:36.162029Z",
"structure_string": "Ba4 Pd4 Cl16\n1.0\n6.882565 0.000000 0.000000\n0.000000 7.487739 0.000000\n0.000000 0.000000 12.604766\nBa Pd Cl\n4 4 16\ndirect\n0.500000 0.750000 0.147849 Ba\n0.000000 0.250000 0.352152 Ba\n0.500000 0.250000 0.852152 Ba\n0.000000 0.750000 0.647849 Ba\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.705245 0.891965 0.935357 Cl\n0.205244 0.108035 0.564644 Cl\n0.205244 0.608035 0.435357 Cl\n0.705245 0.391965 0.064644 Cl\n0.294756 0.108035 0.064644 Cl\n0.794756 0.891965 0.435357 Cl\n0.890484 0.967820 0.173837 Cl\n0.109517 0.032180 0.826164 Cl\n0.609517 0.467820 0.326164 Cl\n0.109517 0.532180 0.173837 Cl\n0.294756 0.608035 0.935357 Cl\n0.609517 0.967820 0.673837 Cl\n0.390484 0.532180 0.673837 Cl\n0.890484 0.467820 0.826164 Cl\n0.390484 0.032180 0.326164 Cl\n0.794756 0.391965 0.564644 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Cl"
],
"chemical_system": "Ba-Cl-Pd",
"density": 3.9424312342456025,
"density_atomic": 0.036946681318478725,
"volume": 649.5847297656069,
"volume_molar": 16.29954449247936,
"formula_full": "Ba4 Pd4 Cl16",
"formula_reduced": "BaPdCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0726779899999999,
"spacegroup": 60
},
{
"id": "jvasp-29947",
"created_at": "2022-09-04T14:38:35.860496Z",
"updated_at": "2022-09-04T14:38:35.860532Z",
"structure_string": "Sn4 P4 O16\n1.0\n5.504213 0.000000 0.146749\n0.000000 7.376189 0.000000\n-0.191924 0.000000 7.220381\nSn P O\n4 4 16\ndirect\n0.249962 0.749887 0.249827 Sn\n0.749962 0.750113 0.749827 Sn\n0.250038 0.249887 0.250173 Sn\n0.750038 0.250113 0.750173 Sn\n0.249997 0.500410 0.662266 P\n0.750003 0.499590 0.337734 P\n0.250003 0.000410 0.837733 P\n0.749997 0.999590 0.162267 P\n0.749929 0.176665 0.050263 O\n0.009583 0.500500 0.783030 O\n0.750054 0.822612 0.050040 O\n0.749945 0.322612 0.449960 O\n0.250071 0.823335 0.949738 O\n0.249946 0.177388 0.949960 O\n0.509582 0.999501 0.283030 O\n0.990417 0.499501 0.216970 O\n0.249930 0.323335 0.550262 O\n0.509611 0.499567 0.216974 O\n0.750070 0.676665 0.449738 O\n0.009611 0.000433 0.716974 O\n0.490389 0.500433 0.783026 O\n0.250055 0.677388 0.550040 O\n0.990389 0.999567 0.283026 O\n0.490418 0.000500 0.716970 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 4.838165089351361,
"density_atomic": 0.08181184617756421,
"volume": 293.3560495372573,
"volume_molar": 7.360964262962068,
"formula_full": "Sn4 P4 O16",
"formula_reduced": "SnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.095051866666667,
"spacegroup": 74
},
{
"id": "jvasp-33944",
"created_at": "2022-09-04T14:38:37.474715Z",
"updated_at": "2022-09-04T14:38:37.474736Z",
"structure_string": "Te9 Mo8 S7\n1.0\n1.868929 2.841536 0.000305\n-7.828683 9.219922 0.043413\n-1.534598 3.043426 14.407517\nTe Mo S\n9 8 7\ndirect\n0.271281 0.674618 0.108072 Te\n0.704891 0.350184 0.889981 Te\n0.033318 0.412245 0.108765 Te\n0.476769 0.075011 0.896573 Te\n0.702905 0.104275 0.385491 Te\n0.790618 0.144959 0.128723 Te\n0.478919 0.825847 0.390305 Te\n0.269657 0.922821 0.615205 Te\n0.046678 0.648655 0.609473 Te\n0.335891 0.033221 0.261636 Mo\n0.166783 0.456909 0.752763 Mo\n0.085914 0.787256 0.253508 Mo\n0.913686 0.203430 0.765925 Mo\n0.832931 0.547306 0.239384 Mo\n0.665950 0.957698 0.752848 Mo\n0.576678 0.300802 0.244919 Mo\n0.419738 0.710692 0.739266 Mo\n0.513627 0.155821 0.661275 S\n0.522322 0.899320 0.156571 S\n0.968131 0.359382 0.344832 S\n0.236236 0.590881 0.345602 S\n0.969708 0.608330 0.844044 S\n0.235254 0.840532 0.848559 S\n0.782138 0.389805 0.656285 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.253780925266089,
"density_atomic": 0.04222940263514981,
"volume": 568.3244020132908,
"volume_molar": 14.260539776111933,
"formula_full": "Te9 Mo8 S7",
"formula_reduced": "Te9Mo8S7",
"formula_anonymous": "A7B8C9",
"energy_above_hull": 3.665396545833333,
"spacegroup": 8
},
{
"id": "jvasp-112746",
"created_at": "2022-09-04T14:38:43.817319Z",
"updated_at": "2022-09-04T14:38:43.817338Z",
"structure_string": "Ba4 La2 Mn4 O14\n1.0\n5.592398 -0.000003 0.000030\n0.000021 10.434851 -2.795924\n-0.000030 0.000038 5.592329\nBa La Mn O\n4 2 4 14\ndirect\n-0.000000 0.363089 0.681525 Ba\n0.500000 0.363082 0.181523 Ba\n0.500000 0.636911 0.818476 Ba\n-0.000000 0.636918 0.318478 Ba\n-0.000000 0.000004 0.499993 La\n0.500000 -0.000004 0.000007 La\n-0.000000 0.814097 0.907067 Mn\n0.500000 0.185903 0.592934 Mn\n0.500000 0.814104 0.407073 Mn\n-0.000000 0.185896 0.092928 Mn\n0.250000 0.172628 0.336312 O\n0.749997 0.172622 0.836298 O\n0.249996 0.827379 0.663703 O\n0.750000 0.827372 0.163689 O\n0.250000 0.827372 0.163689 O\n0.750004 0.827378 0.663703 O\n0.999999 -0.000003 0.000019 O\n0.500000 0.370649 0.685296 O\n0.500000 0.629360 0.314717 O\n0.000000 0.629351 0.814705 O\n0.749999 0.172629 0.336311 O\n0.500001 0.000004 0.499982 O\n-0.000000 0.370640 0.185284 O\n0.250004 0.172622 0.836299 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"La",
"Mn",
"O"
],
"chemical_system": "Ba-La-Mn-O",
"density": 6.466509348019967,
"density_atomic": 0.07354165749658248,
"volume": 326.345649757966,
"volume_molar": 8.188747663567213,
"formula_full": "Ba4 La2 Mn4 O14",
"formula_reduced": "Ba2LaMn2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.489962160229885,
"spacegroup": 139
},
{
"id": "jvasp-59047",
"created_at": "2022-09-04T14:38:36.299997Z",
"updated_at": "2022-09-04T14:38:36.300014Z",
"structure_string": "K8 Sn4 Te12\n1.0\n8.091680 0.000000 -3.015519\n-0.000000 8.679865 0.000000\n-0.002391 0.000000 12.357730\nK Sn Te\n8 4 12\ndirect\n0.077757 0.000000 0.155515 K\n0.422243 0.500000 0.844485 K\n0.922243 0.000000 0.844485 K\n0.577757 0.500000 0.155515 K\n0.234601 0.000000 0.469201 K\n0.734601 0.500000 0.469201 K\n0.265400 0.500000 0.530799 K\n0.765400 0.000000 0.530799 K\n0.585332 0.000000 0.170666 Sn\n0.914668 0.500000 0.829334 Sn\n0.414668 0.000000 0.829334 Sn\n0.085332 0.500000 0.170666 Sn\n0.671527 0.828220 -0.000000 Te\n0.341765 0.309915 0.302903 Te\n0.538863 0.190085 0.697097 Te\n0.158235 0.809915 0.697097 Te\n0.961137 0.690085 0.302903 Te\n0.658235 0.690085 0.697097 Te\n0.461137 0.809915 0.302903 Te\n0.841765 0.190085 0.302903 Te\n0.038863 0.309915 0.697097 Te\n0.828473 0.328220 -0.000000 Te\n0.328473 0.171781 -0.000000 Te\n0.171527 0.671781 -0.000000 Te\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sn",
"Te"
],
"chemical_system": "K-Sn-Te",
"density": 4.436681750407352,
"density_atomic": 0.02765363239008445,
"volume": 867.8787531943,
"volume_molar": 21.777033393122395,
"formula_full": "K8 Sn4 Te12",
"formula_reduced": "K2SnTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1159835000000001,
"spacegroup": 64
},
{
"id": "jvasp-112836",
"created_at": "2022-09-04T14:38:44.756187Z",
"updated_at": "2022-09-04T14:38:44.756215Z",
"structure_string": "Li4 Co2 P4 O14\n1.0\n5.118528 0.067311 0.421136\n2.951892 4.182128 0.421136\n-0.193042 -0.101645 11.729444\nLi Co P O\n4 2 4 14\ndirect\n0.608670 0.089306 0.693390 Li\n0.910694 0.391330 0.806611 Li\n0.089307 0.608669 0.193390 Li\n0.391331 0.910693 0.306611 Li\n0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.661275 0.229773 0.369327 P\n0.770227 0.338725 0.130673 P\n0.229774 0.661274 0.869327 P\n0.338726 0.770226 0.630673 P\n0.938711 0.821126 0.948641 O\n0.485058 0.342421 0.099095 O\n0.096103 0.903897 0.750000 O\n0.178874 0.061289 0.551359 O\n0.672458 0.669573 0.665722 O\n0.327543 0.330426 0.334278 O\n0.669574 0.672457 0.165722 O\n0.903898 0.096102 0.250000 O\n0.514943 0.657578 0.900905 O\n0.061290 0.178873 0.051359 O\n0.330427 0.327542 0.834278 O\n0.342422 0.485057 0.599095 O\n0.821127 0.938710 0.448641 O\n0.657579 0.514942 0.400906 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.2887894406238543,
"density_atomic": 0.09631547325804571,
"volume": 249.1811459587586,
"volume_molar": 6.252516398757289,
"formula_full": "Li4 Co2 P4 O14",
"formula_reduced": "Li2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6206397,
"spacegroup": 15
},
{
"id": "jvasp-38758",
"created_at": "2022-09-04T14:38:36.328661Z",
"updated_at": "2022-09-04T14:38:36.328686Z",
"structure_string": "Li4 Yb8 In4 Ge8\n1.0\n4.377306 -0.000000 0.000000\n0.000000 7.142305 0.000000\n0.000000 0.000000 16.615468\nYb Li In Ge\n8 4 4 8\ndirect\n0.750001 0.985127 0.279536 Yb\n0.250000 0.514874 0.779536 Yb\n0.750001 0.485127 0.220464 Yb\n0.250000 0.014873 0.720464 Yb\n0.750001 0.843156 0.062117 Yb\n0.250000 0.656845 0.562117 Yb\n0.750001 0.343155 0.437883 Yb\n0.250000 0.156845 0.937883 Yb\n0.750001 0.490269 0.933071 Li\n0.250000 0.009732 0.433070 Li\n0.750001 0.990269 0.566930 Li\n0.250000 0.509732 0.066930 Li\n0.750001 0.844610 0.846739 In\n0.250000 0.655391 0.346739 In\n0.750001 0.344610 0.653261 In\n0.250000 0.155391 0.153261 In\n0.750001 0.269405 0.060724 Ge\n0.750001 0.731490 0.684229 Ge\n0.250000 0.768511 0.184229 Ge\n0.750001 0.231489 0.815771 Ge\n0.250000 0.268511 0.315771 Ge\n0.750001 0.769406 0.439276 Ge\n0.250000 0.730595 0.939276 Ge\n0.250000 0.230595 0.560724 Ge\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Li",
"In",
"Ge"
],
"chemical_system": "Ge-In-Li-Yb",
"density": 7.839637572138356,
"density_atomic": 0.046201211493805044,
"volume": 519.4668975989531,
"volume_molar": 13.03459490625584,
"formula_full": "Li4 Yb8 In4 Ge8",
"formula_reduced": "LiYb2InGe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-26919",
"created_at": "2022-09-04T14:38:36.328192Z",
"updated_at": "2022-09-04T14:38:36.328212Z",
"structure_string": "K8 Na4 In4 Sb8\n1.0\n7.022898 -0.000000 -0.000000\n0.000000 10.708398 -1.663289\n-0.000000 0.012551 10.836798\nK Na In Sb\n8 4 4 8\ndirect\n0.750000 0.422939 0.077061 K\n0.250000 0.077061 0.422939 K\n0.250000 0.577061 0.922939 K\n0.750000 0.922939 0.577061 K\n0.778034 0.326856 0.673144 K\n0.278034 0.173144 0.826856 K\n0.221966 0.673144 0.326856 K\n0.721966 0.826856 0.173144 K\n0.000000 0.618830 0.618830 Na\n0.500000 0.881170 0.881170 Na\n0.000000 0.381170 0.381170 Na\n0.500000 0.118830 0.118830 Na\n0.000000 0.132396 0.132396 In\n0.500000 0.367604 0.367604 In\n0.000000 0.867604 0.867604 In\n0.500000 0.632396 0.632396 In\n0.208833 0.892928 0.107072 Sb\n0.750000 0.642186 0.857814 Sb\n0.250000 0.857814 0.642186 Sb\n0.250000 0.357813 0.142187 Sb\n0.750000 0.142187 0.357813 Sb\n0.791167 0.107072 0.892928 Sb\n0.291167 0.392928 0.607072 Sb\n0.708833 0.607072 0.392928 Sb\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Na",
"In",
"Sb"
],
"chemical_system": "In-K-Na-Sb",
"density": 3.744533088632897,
"density_atomic": 0.029443625002978688,
"volume": 815.1170244007666,
"volume_molar": 20.453122736724048,
"formula_full": "K8 Na4 In4 Sb8",
"formula_reduced": "K2NaInSb2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
}
]
}