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_anonymous&page=691",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=689",
"results": [
{
"id": "jvasp-120082",
"created_at": "2022-09-04T14:38:38.249138Z",
"updated_at": "2022-09-04T14:38:38.249160Z",
"structure_string": "In1 Ge1 Cl3\n1.0\n3.853753 -3.660071 -0.024156\n3.853753 3.660071 -0.024156\n-0.335780 0.000000 5.303332\nIn Ge Cl\n1 1 3\ndirect\n0.931029 0.931029 0.053838 In\n0.490549 0.490549 0.495955 Ge\n0.027451 0.521623 0.465515 Cl\n0.521436 0.521436 0.959317 Cl\n0.521623 0.027451 0.465515 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"In",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-In",
"density": 3.2624676380818936,
"density_atomic": 0.033434143273301915,
"volume": 149.5477230903846,
"volume_molar": 18.011948775755965,
"formula_full": "In1 Ge1 Cl3",
"formula_reduced": "InGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-118610",
"created_at": "2022-09-04T14:38:51.595666Z",
"updated_at": "2022-09-04T14:38:51.595698Z",
"structure_string": "Li1 Zr1 O3\n1.0\n4.142963 0.000000 0.000000\n0.000000 4.142963 0.000000\n0.000000 0.000000 4.142963\nLi Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Zr",
"O"
],
"chemical_system": "Li-O-Zr",
"density": 3.413139005111611,
"density_atomic": 0.07031319623999625,
"volume": 71.11040697017624,
"volume_molar": 8.56473760550573,
"formula_full": "Li1 Zr1 O3",
"formula_reduced": "LiZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1111690000000003,
"spacegroup": 221
},
{
"id": "jvasp-117186",
"created_at": "2022-09-04T14:38:47.372177Z",
"updated_at": "2022-09-04T14:38:47.372202Z",
"structure_string": "La4 V4 Sb12\n1.0\n6.093437 0.000000 0.000000\n0.000000 6.351052 0.000000\n-0.000000 0.000000 13.451146\nLa V Sb\n4 4 12\ndirect\n0.250000 0.502987 0.309398 La\n0.750000 0.497013 0.690602 La\n0.250000 0.002987 0.690602 La\n0.750000 0.997012 0.309398 La\n-0.000000 0.750000 0.909461 V\n-0.000000 0.250000 0.090539 V\n0.500000 0.250000 0.090539 V\n0.500000 0.750000 0.909461 V\n0.750000 0.995193 0.784433 Sb\n0.250000 0.004807 0.215567 Sb\n0.750000 0.898151 0.064825 Sb\n0.250000 0.101849 0.935175 Sb\n0.750000 0.398151 0.935175 Sb\n-0.000000 0.250000 0.498690 Sb\n0.500000 0.750000 0.501310 Sb\n0.500000 0.250000 0.498690 Sb\n0.250000 0.504807 0.784433 Sb\n-0.000000 0.750000 0.501310 Sb\n0.250000 0.601849 0.064825 Sb\n0.750000 0.495193 0.215567 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"V",
"Sb"
],
"chemical_system": "La-Sb-V",
"density": 7.083275531061514,
"density_atomic": 0.03842047370231117,
"volume": 520.5557889515794,
"volume_molar": 15.674301172496321,
"formula_full": "La4 V4 Sb12",
"formula_reduced": "LaVSb3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2392115,
"spacegroup": 57
},
{
"id": "jvasp-115377",
"created_at": "2022-09-04T14:38:46.624737Z",
"updated_at": "2022-09-04T14:38:46.624773Z",
"structure_string": "Zr1 Pb1 S3\n1.0\n5.011433 0.000000 0.000000\n0.000000 3.513244 3.673506\n0.000000 -3.513244 3.673506\nZr Pb S\n1 1 3\ndirect\n0.499999 0.481235 0.481235 Zr\n0.000000 0.073961 0.073961 Pb\n0.499999 -0.038506 0.429501 S\n0.499999 0.429501 -0.038506 S\n0.000000 0.446809 0.446809 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Zr",
"density": 5.065777355038452,
"density_atomic": 0.038653516811664616,
"volume": 129.35433596797927,
"volume_molar": 15.579800382310038,
"formula_full": "Zr1 Pb1 S3",
"formula_reduced": "ZrPbS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.958027064,
"spacegroup": 38
},
{
"id": "jvasp-55730",
"created_at": "2022-09-04T14:38:36.904119Z",
"updated_at": "2022-09-04T14:38:36.904134Z",
"structure_string": "Li4 Be4 H12\n1.0\n4.388421 0.000000 0.000000\n-0.000000 4.530747 0.000000\n0.000000 0.000000 6.282258\nLi Be H\n4 4 12\ndirect\n0.489789 0.446797 0.750000 Li\n0.989789 0.053204 0.250000 Li\n0.010210 0.946797 0.750000 Li\n0.510210 0.553204 0.250000 Li\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.794340 0.795199 0.040458 H\n0.294340 0.704802 0.959542 H\n0.705660 0.295199 0.040458 H\n0.205660 0.204802 0.959542 H\n0.794340 0.795199 0.459542 H\n0.079315 0.479748 0.250000 H\n0.420685 0.979748 0.250000 H\n0.920685 0.520253 0.750000 H\n0.205660 0.204802 0.540458 H\n0.579315 0.020253 0.750000 H\n0.294340 0.704802 0.540458 H\n0.705660 0.295199 0.459542 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Be",
"H"
],
"chemical_system": "Be-H-Li",
"density": 1.0091200331652015,
"density_atomic": 0.16011651591639225,
"volume": 124.9090381809417,
"volume_molar": 3.761099050609227,
"formula_full": "Li4 Be4 H12",
"formula_reduced": "LiBeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14289522,
"spacegroup": 62
},
{
"id": "jvasp-116796",
"created_at": "2022-09-04T14:38:43.680083Z",
"updated_at": "2022-09-04T14:38:43.680104Z",
"structure_string": "Mn6 Pb6 O18\n1.0\n5.522675 0.000000 0.181267\n2.761337 4.782095 0.090633\n-0.050725 0.000000 13.596629\nMn Pb O\n6 6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.672618 0.674137 0.844907 Mn\n0.653244 0.674137 0.655093 Mn\n0.327380 0.325864 0.155093 Mn\n0.346754 0.325864 0.344907 Mn\n0.329222 0.341824 0.591492 Pb\n0.328951 0.341824 0.908508 Pb\n0.670776 0.658177 0.408508 Pb\n0.990883 0.018231 0.750000 Pb\n0.009116 0.981770 0.250000 Pb\n0.671047 0.658177 0.091492 Pb\n0.788857 0.328889 0.582090 O\n0.206766 0.167147 0.438500 O\n0.626088 0.167147 0.061500 O\n0.288695 0.828257 0.595152 O\n0.883045 0.828257 0.904848 O\n0.711303 0.171744 0.404848 O\n0.116953 0.171744 0.095152 O\n0.882251 0.328889 0.917910 O\n0.039749 0.473303 0.261214 O\n0.117747 0.671112 0.082090 O\n0.513050 0.526698 0.761214 O\n0.960249 0.526698 0.738786 O\n0.486948 0.473303 0.238786 O\n0.373911 0.832854 0.938500 O\n0.513282 0.973434 0.750000 O\n0.486716 0.026567 0.250000 O\n0.211141 0.671112 0.417910 O\n0.793232 0.832854 0.561500 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb",
"density": 8.604007147537411,
"density_atomic": 0.08353512850525156,
"volume": 359.13035074955326,
"volume_molar": 7.20911174467327,
"formula_full": "Mn6 Pb6 O18",
"formula_reduced": "MnPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.174245712275862,
"spacegroup": 15
},
{
"id": "jvasp-114789",
"created_at": "2022-09-04T14:38:43.709049Z",
"updated_at": "2022-09-04T14:38:43.709079Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n3.717042 2.146035 3.295729\n-3.717042 2.146035 3.295729\n0.000000 -4.292071 3.295729\nNa Sn Cl\n1 1 3\ndirect\n0.876081 0.876081 0.876078 Na\n0.517734 0.517734 0.517733 Sn\n0.837876 0.837876 0.370195 Cl\n0.837875 0.370197 0.837874 Cl\n0.370197 0.837875 0.837874 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Cl"
],
"chemical_system": "Cl-Na-Sn",
"density": 2.611359124205145,
"density_atomic": 0.03169807758047316,
"volume": 157.73827252792546,
"volume_molar": 18.998441608048164,
"formula_full": "Na1 Sn1 Cl3",
"formula_reduced": "NaSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-115455",
"created_at": "2022-09-04T14:38:46.679767Z",
"updated_at": "2022-09-04T14:38:46.679791Z",
"structure_string": "Mg1 Au1 O3\n1.0\n2.766729 -2.961955 0.030223\n2.766729 2.961955 0.030223\n-0.713423 0.000000 4.238967\nMg Au O\n1 1 3\ndirect\n0.463714 0.463714 0.701845 Mg\n0.031915 0.031915 0.972175 Au\n0.526254 -0.008536 0.877397 O\n-0.008536 0.526254 0.877397 O\n0.100016 0.100016 0.457837 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Au",
"O"
],
"chemical_system": "Au-Mg-O",
"density": 6.4239755380466415,
"density_atomic": 0.07183518054394494,
"volume": 69.60377856837522,
"volume_molar": 8.383275039332537,
"formula_full": "Mg1 Au1 O3",
"formula_reduced": "MgAuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.291405424,
"spacegroup": 8
},
{
"id": "jvasp-116939",
"created_at": "2022-09-04T14:38:48.124972Z",
"updated_at": "2022-09-04T14:38:48.124998Z",
"structure_string": "Co4 Bi4 O12\n1.0\n5.342710 -0.000000 0.000000\n0.000000 5.513030 0.000000\n-0.000000 -0.000000 7.586729\nCo Bi O\n4 4 12\ndirect\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n0.510181 0.555292 0.250000 Bi\n0.989819 0.055292 0.250000 Bi\n0.489819 0.444708 0.750000 Bi\n0.010181 0.944708 0.750000 Bi\n0.296878 0.706580 0.541454 O\n0.203122 0.206580 0.958546 O\n0.296878 0.706580 0.958546 O\n0.203122 0.206580 0.541454 O\n0.703122 0.293420 0.458546 O\n0.083541 0.474891 0.250000 O\n0.916459 0.525109 0.750000 O\n0.583541 0.025109 0.750000 O\n0.796878 0.793420 0.458546 O\n0.416459 0.974891 0.250000 O\n0.796878 0.793420 0.041454 O\n0.703122 0.293420 0.041454 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-O",
"density": 9.390060739070371,
"density_atomic": 0.0895000889966348,
"volume": 223.46346494417455,
"volume_molar": 6.728642203055723,
"formula_full": "Co4 Bi4 O12",
"formula_reduced": "CoBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.184717139999999,
"spacegroup": 62
},
{
"id": "jvasp-110928",
"created_at": "2022-09-04T14:38:38.447013Z",
"updated_at": "2022-09-04T14:38:38.447044Z",
"structure_string": "Rb2 Fe2 Cl6\n1.0\n7.028207 0.000000 0.000000\n-3.514103 6.086606 0.000000\n0.000000 0.000000 5.750758\nRb Fe Cl\n2 2 6\ndirect\n0.333334 0.666667 0.750000 Rb\n0.666667 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.164568 0.329136 0.250000 Cl\n0.835433 0.670865 0.750000 Cl\n0.670865 0.835433 0.250000 Cl\n0.329136 0.164568 0.750000 Cl\n0.164569 0.835433 0.250000 Cl\n0.835433 0.164568 0.750000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Rb",
"density": 3.3435731372316497,
"density_atomic": 0.040649496795198685,
"volume": 246.00550531737827,
"volume_molar": 14.814797807561805,
"formula_full": "Rb2 Fe2 Cl6",
"formula_reduced": "RbFeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3254895404999998,
"spacegroup": 194
},
{
"id": "jvasp-115299",
"created_at": "2022-09-04T14:38:43.524469Z",
"updated_at": "2022-09-04T14:38:43.524496Z",
"structure_string": "Y1 Pb1 O3\n1.0\n4.259666 0.000000 0.000000\n0.000000 3.099388 3.283132\n0.000000 -3.099388 3.283132\nY Pb O\n1 1 3\ndirect\n0.500000 0.493137 0.493137 Y\n0.000000 0.091179 0.091179 Pb\n0.500000 0.977337 0.403606 O\n0.500000 0.403606 0.977337 O\n0.000000 0.427740 0.427740 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pb",
"O"
],
"chemical_system": "O-Pb-Y",
"density": 6.5912691659124185,
"density_atomic": 0.057676668899842395,
"volume": 86.69016597825161,
"volume_molar": 10.441207640575886,
"formula_full": "Y1 Pb1 O3",
"formula_reduced": "YPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.778435354,
"spacegroup": 38
},
{
"id": "jvasp-115218",
"created_at": "2022-09-04T14:38:43.264327Z",
"updated_at": "2022-09-04T14:38:43.264350Z",
"structure_string": "Mg1 Mo1 O3\n1.0\n2.842388 -2.901533 0.221130\n2.842388 2.901533 0.221130\n-0.465146 0.000000 3.832142\nMg Mo O\n1 1 3\ndirect\n0.518987 0.518987 0.788964 Mg\n0.023689 0.023689 0.911087 Mo\n0.523725 0.022521 0.890853 O\n0.022521 0.523725 0.890853 O\n0.024434 0.024434 0.404897 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 4.378469547763652,
"density_atomic": 0.07836203763099607,
"volume": 63.80640615223426,
"volume_molar": 7.685023184769694,
"formula_full": "Mg1 Mo1 O3",
"formula_reduced": "MgMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.21716709,
"spacegroup": 99
}
]
}