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=-chemical_system&page=45",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=43",
"results": [
{
"id": "jvasp-11048",
"created_at": "2022-09-04T14:37:28.232872Z",
"updated_at": "2022-09-04T14:37:28.232898Z",
"structure_string": "Ti4 Zn1 S8\n1.0\n6.963072 0.039113 0.027656\n3.515408 6.088865 0.000000\n3.515408 2.029622 5.740638\nTi Zn S\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Ti\n0.500000 0.499999 0.000000 Ti\n0.500000 0.499999 0.500001 Ti\n0.500000 -0.000001 0.500001 Ti\n0.500000 -0.000000 0.000000 Zn\n0.251190 0.252204 0.252205 S\n0.251190 0.252204 0.744402 S\n0.251190 0.744401 0.252205 S\n0.742099 0.252633 0.252634 S\n0.257902 0.747365 0.747367 S\n0.748811 0.747794 0.255599 S\n0.748811 0.255597 0.747796 S\n0.748811 0.747794 0.747796 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"S"
],
"chemical_system": "S-Ti-Zn",
"density": 3.5198393864882904,
"density_atomic": 0.053673976900828556,
"volume": 242.2030330269662,
"volume_molar": 11.219851979902458,
"formula_full": "Ti4 Zn1 S8",
"formula_reduced": "Ti4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.6296825948717952,
"spacegroup": 166
},
{
"id": "jvasp-59881",
"created_at": "2022-09-04T14:37:04.350260Z",
"updated_at": "2022-09-04T14:37:04.350286Z",
"structure_string": "Y2 Ti4 S8\n1.0\n6.701584 0.000000 -3.518416\n-1.847214 6.441974 -3.518416\n-0.306196 -0.406337 7.558298\nY Ti S\n2 4 8\ndirect\n0.375000 0.625000 0.749999 Y\n0.624999 0.375000 0.249999 Y\n0.000000 0.500001 0.000001 Ti\n0.000001 -0.000000 0.500000 Ti\n0.500000 -0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.763890 0.791038 0.527781 S\n0.763256 0.236110 0.972219 S\n0.208962 0.236110 0.972218 S\n0.236109 0.208961 0.472218 S\n0.236109 0.763256 0.472217 S\n0.236743 0.763890 0.027782 S\n0.763889 0.236742 0.527780 S\n0.791037 0.763890 0.027780 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ti",
"S"
],
"chemical_system": "S-Ti-Y",
"density": 3.383352982584203,
"density_atomic": 0.04558173976833274,
"volume": 307.1405363453525,
"volume_molar": 13.211739592668634,
"formula_full": "Y2 Ti4 S8",
"formula_reduced": "Y(TiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7385931595238096,
"spacegroup": 227
},
{
"id": "jvasp-35522",
"created_at": "2022-09-04T14:37:46.844750Z",
"updated_at": "2022-09-04T14:37:46.844766Z",
"structure_string": "Ti2 V1 S4\n1.0\n0.000000 3.377239 0.000000\n0.005111 0.000000 5.995608\n5.791335 -1.688620 -2.942066\nTi V S\n2 1 4\ndirect\n0.255432 0.277603 0.510863 Ti\n0.744569 0.722397 0.489138 Ti\n0.000000 0.000000 0.000000 V\n0.117073 0.447255 0.234146 S\n0.882927 0.552745 0.765855 S\n0.372044 0.036094 0.744088 S\n0.627957 0.963906 0.255913 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"S"
],
"chemical_system": "S-Ti-V",
"density": 3.891510169950514,
"density_atomic": 0.05966728710682527,
"volume": 117.31721583834634,
"volume_molar": 10.09286839071176,
"formula_full": "Ti2 V1 S4",
"formula_reduced": "Ti2VS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.992214409523809,
"spacegroup": 12
},
{
"id": "jvasp-110534",
"created_at": "2022-09-04T14:38:39.066371Z",
"updated_at": "2022-09-04T14:38:39.066402Z",
"structure_string": "Ti3 V1 S6\n1.0\n5.237318 -0.061451 3.956041\n1.935200 4.867061 3.956041\n-0.091717 -0.061451 6.562877\nTi V S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.334033 0.334033 0.334033 Ti\n0.665967 0.665967 0.665967 Ti\n0.500000 0.500000 0.500000 V\n0.914114 0.581343 0.244106 S\n0.581343 0.244106 0.914115 S\n0.244106 0.914114 0.581344 S\n0.755894 0.085886 0.418657 S\n0.418657 0.755894 0.085886 S\n0.085886 0.418657 0.755895 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"V",
"S"
],
"chemical_system": "S-Ti-V",
"density": 3.7648601601922214,
"density_atomic": 0.0585955375530069,
"volume": 170.66146019999843,
"volume_molar": 10.277473356315284,
"formula_full": "Ti3 V1 S6",
"formula_reduced": "Ti3VS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.11794292,
"spacegroup": 148
},
{
"id": "jvasp-106709",
"created_at": "2022-09-04T14:36:59.383828Z",
"updated_at": "2022-09-04T14:36:59.383851Z",
"structure_string": "Ti2 V2 S4\n1.0\n3.323915 -0.000000 0.000000\n0.000000 5.844953 0.000000\n0.000000 -0.000000 6.002403\nTi V S\n2 2 4\ndirect\n-0.000000 0.058349 0.509026 Ti\n-0.000000 0.941651 0.009026 Ti\n0.500001 0.442349 0.485943 V\n0.500001 0.557651 0.985942 V\n-0.000000 0.663799 0.719719 S\n-0.000000 0.336201 0.219719 S\n0.500001 0.822165 0.285312 S\n0.500001 0.177834 0.785311 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"V",
"S"
],
"chemical_system": "S-Ti-V",
"density": 4.6403071036489845,
"density_atomic": 0.06860154612313027,
"volume": 116.61544749503325,
"volume_molar": 8.778432995068496,
"formula_full": "Ti2 V2 S4",
"formula_reduced": "TiVS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6720806333333336,
"spacegroup": 26
},
{
"id": "jvasp-119056",
"created_at": "2022-09-04T14:38:50.905682Z",
"updated_at": "2022-09-04T14:38:50.905717Z",
"structure_string": "U8 Ti1 S17\n1.0\n7.723198 0.003539 1.242028\n3.158056 7.048013 1.242028\n-0.002649 -0.001717 10.372289\nU Ti S\n8 1 17\ndirect\n0.815608 0.302138 0.298048 U\n0.302139 0.815608 0.298048 U\n0.184393 0.697861 0.701953 U\n0.697862 0.184392 0.701953 U\n0.204702 0.204701 0.542003 U\n0.795299 0.795298 0.457997 U\n0.685041 0.685040 0.981537 U\n0.314960 0.314960 0.018463 U\n0.000000 0.000000 0.000000 Ti\n0.522414 0.522413 0.831325 S\n0.698242 0.698241 0.244871 S\n0.301759 0.301759 0.755129 S\n0.938690 0.938689 0.229411 S\n0.061311 0.061311 0.770589 S\n0.788335 0.788334 0.722924 S\n0.211666 0.211666 0.277076 S\n0.567108 0.179316 0.464383 S\n0.061909 0.675046 0.972068 S\n0.324954 0.938091 0.027933 S\n0.938092 0.324953 0.027933 S\n0.477587 0.477586 0.168675 S\n0.179317 0.567107 0.464383 S\n0.432893 0.820683 0.535617 S\n0.820684 0.432892 0.535617 S\n0.675047 0.061908 0.972068 S\n0.000000 -0.000000 0.500000 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"Ti",
"S"
],
"chemical_system": "S-Ti-U",
"density": 7.345618650489522,
"density_atomic": 0.04605732725704346,
"volume": 564.5138688768326,
"volume_molar": 13.07531530518642,
"formula_full": "U8 Ti1 S17",
"formula_reduced": "U8TiS17",
"formula_anonymous": "AB8C17",
"energy_above_hull": 4.062497551282052,
"spacegroup": 12
},
{
"id": "jvasp-8399",
"created_at": "2022-09-04T14:37:07.708286Z",
"updated_at": "2022-09-04T14:37:07.708322Z",
"structure_string": "Ti2 S4\n1.0\n4.930232 -0.000000 -2.242322\n-1.019831 4.823600 -2.242322\n-0.085826 -0.105869 6.352547\nTi S\n2 4\ndirect\n0.250000 0.750000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.880582 0.875000 0.250001 S\n0.624999 0.119418 0.750000 S\n0.369417 0.375000 0.250000 S\n0.124999 0.630582 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.500810634685715,
"density_atomic": 0.040340992155290266,
"volume": 148.73208811779728,
"volume_molar": 14.928092836234978,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.868286111111111,
"spacegroup": 122
},
{
"id": "jvasp-93778",
"created_at": "2022-09-04T14:36:14.574926Z",
"updated_at": "2022-09-04T14:36:14.574952Z",
"structure_string": "Ti2 S4\n1.0\n-1.675895 -2.902758 -0.000000\n-1.675895 2.902758 0.000000\n0.000000 0.000000 -12.012392\nTi S\n2 4\ndirect\n0.666643 0.333354 0.750000 Ti\n0.333354 0.666643 0.250000 Ti\n0.666685 0.333313 0.125154 S\n0.333313 0.666685 0.874845 S\n0.333313 0.666685 0.625154 S\n0.666685 0.333313 0.374845 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.1824995807316174,
"density_atomic": 0.05133742988766652,
"volume": 116.87379000329466,
"volume_molar": 11.730506909242022,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8344361111111116,
"spacegroup": 194
},
{
"id": "jvasp-109430",
"created_at": "2022-09-04T14:38:16.114467Z",
"updated_at": "2022-09-04T14:38:16.114495Z",
"structure_string": "Ti4 S6\n1.0\n5.867336 -0.002959 0.972796\n-3.172834 4.935460 0.972796\n-0.000810 -0.001482 6.028293\nTi S\n4 6\ndirect\n0.672791 0.327209 0.000001 Ti\n0.327210 0.672790 0.000001 Ti\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Ti\n0.418062 0.081538 0.741558 S\n0.081539 0.418062 0.741558 S\n0.750740 0.750739 0.752042 S\n0.581939 0.918462 0.258442 S\n0.249261 0.249261 0.247959 S\n0.918463 0.581938 0.258442 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.652207577052319,
"density_atomic": 0.05729751137490507,
"volume": 174.52764980609192,
"volume_molar": 10.510300736442723,
"formula_full": "Ti4 S6",
"formula_reduced": "Ti2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.531429333333333,
"spacegroup": 12
},
{
"id": "jvasp-20601",
"created_at": "2022-09-04T14:38:14.769543Z",
"updated_at": "2022-09-04T14:38:14.769558Z",
"structure_string": "Ti1 S2\n1.0\n1.706588 -2.955897 0.000000\n1.706588 2.955897 -0.000000\n0.000000 -0.000000 5.722634\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666668 0.751876 S\n0.666668 0.333333 0.248124 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.221154355003754,
"density_atomic": 0.051960976478539346,
"volume": 57.73563553485267,
"volume_molar": 11.589737468631355,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.782796111111111,
"spacegroup": 164
},
{
"id": "jvasp-3078",
"created_at": "2022-09-04T14:37:03.645655Z",
"updated_at": "2022-09-04T14:37:03.645679Z",
"structure_string": "Ti2 S6\n1.0\n0.000000 5.016565 0.036280\n3.415175 0.000000 0.000000\n0.000000 -1.018683 -8.798092\nTi S\n2 6\ndirect\n0.282571 0.749999 0.652445 Ti\n0.717429 0.250000 0.347555 Ti\n0.881491 0.749999 0.174012 S\n0.118509 0.250000 0.825988 S\n0.238664 0.250000 0.449748 S\n0.761335 0.749999 0.550252 S\n0.525864 0.250000 0.822196 S\n0.474136 0.749999 0.177804 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.1767602502633805,
"density_atomic": 0.053118511181214016,
"volume": 150.60663076018767,
"volume_molar": 11.337179122839949,
"formula_full": "Ti2 S6",
"formula_reduced": "TiS3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1021545833333337,
"spacegroup": 11
},
{
"id": "jvasp-8242",
"created_at": "2022-09-04T14:36:40.444105Z",
"updated_at": "2022-09-04T14:36:40.444131Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.956575441243148,
"density_atomic": 0.047693010029407075,
"volume": 62.90229948057854,
"volume_molar": 12.626883386657294,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7912727777777775,
"spacegroup": 166
}
]
}