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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=903",
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{
"id": "jvasp-8805",
"created_at": "2022-09-04T14:37:04.548514Z",
"updated_at": "2022-09-04T14:37:04.548546Z",
"structure_string": "Li2 H1 N1\n1.0\n3.626715 0.189906 -0.132215\n1.977820 3.045875 -0.132215\n1.760224 1.016266 2.874436\nLi H N\n2 1 1\ndirect\n0.202142 0.219453 0.289202 Li\n0.780545 0.797861 0.710796 Li\n0.741823 0.258178 -0.000002 H\n0.055484 0.944518 -0.000001 N\n",
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{
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"structure_string": "Cu2 Se1\n1.0\n3.585128 0.032862 -2.403142\n-0.976430 3.404643 -2.466637\n-0.014269 -0.032862 4.316020\nCu Se\n2 1\ndirect\n0.321914 0.698651 0.623262 Cu\n0.924610 0.301348 0.623263 Cu\n0.949476 0.000000 0.949476 Se\n",
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{
"id": "jvasp-50629",
"created_at": "2022-09-04T14:37:06.440373Z",
"updated_at": "2022-09-04T14:37:06.440394Z",
"structure_string": "Li5 Fe1 S4\n1.0\n3.578661 0.000893 -0.004033\n-0.001784 6.768450 -0.028659\n-1.780055 -3.354756 6.898157\nLi Fe S\n5 1 4\ndirect\n0.821355 0.618125 0.644016 Li\n0.821381 0.024892 0.643990 Li\n0.169501 0.944579 0.340359 Li\n0.169482 0.394878 0.340350 Li\n0.516698 0.516736 0.034388 Li\n0.529899 0.030019 0.060944 Fe\n-0.003165 0.233205 -0.005222 S\n0.269974 0.770117 0.541183 S\n0.701947 0.202177 0.405271 S\n-0.003138 0.760683 -0.005190 S\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Fe-Li-S",
"density": 2.179691941548552,
"density_atomic": 0.05998999904016855,
"volume": 166.69445174193328,
"volume_molar": 10.038574523009492,
"formula_full": "Li5 Fe1 S4",
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"formula_anonymous": "AB4C5",
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{
"id": "jvasp-80251",
"created_at": "2022-09-04T14:37:08.180536Z",
"updated_at": "2022-09-04T14:37:08.180561Z",
"structure_string": "Cr1 Sn1 Rh2\n1.0\n-7.342965 0.007803 -4.226408\n-5.108845 0.179577 0.383618\n-4.231392 2.661555 -1.136288\nCr Sn Rh\n1 1 2\ndirect\n0.828281 0.171705 0.171705 Cr\n0.320165 0.179845 0.179845 Sn\n0.919422 0.824210 0.824212 Rh\n0.432131 0.824236 0.824239 Rh\n",
"nsites": 4,
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"elements": [
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"density": 9.893576166017697,
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"volume": 63.194677364534726,
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"formula_full": "Cr1 Sn1 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 44
},
{
"id": "jvasp-42396",
"created_at": "2022-09-04T14:37:08.854381Z",
"updated_at": "2022-09-04T14:37:08.854392Z",
"structure_string": "V4 O3 F5\n1.0\n-0.139596 4.721811 3.064134\n-0.139596 4.721811 -3.064134\n-4.721811 0.139596 -3.064134\nV O F\n4 3 5\ndirect\n0.232481 0.254705 0.512815 V\n0.767521 0.719665 0.512815 V\n0.500001 0.526993 0.973007 V\n0.000001 0.990337 0.009663 V\n0.500001 0.819667 0.680333 O\n0.000001 0.286703 0.713296 O\n0.000001 0.697040 0.302959 O\n0.054532 0.746157 0.801601 F\n0.547762 0.252930 0.801601 F\n0.500000 0.206708 0.293292 F\n0.452240 0.746157 0.199311 F\n0.945469 0.252930 0.199311 F\n",
"nsites": 12,
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"elements": [
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"O",
"F"
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"chemical_system": "F-O-V",
"density": 4.2179182516667195,
"density_atomic": 0.08790347660670549,
"volume": 136.51337197605915,
"volume_molar": 6.85085618051723,
"formula_full": "V4 O3 F5",
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"formula_anonymous": "A3B4C5",
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},
{
"id": "jvasp-8261",
"created_at": "2022-09-04T14:37:09.178741Z",
"updated_at": "2022-09-04T14:37:09.178769Z",
"structure_string": "Ca3 Fe2 N4\n1.0\n4.828606 0.000638 -0.006284\n-0.000790 5.893702 -0.020202\n-2.407214 -2.929145 5.104746\nCa Fe N\n3 2 4\ndirect\n0.305394 0.333613 0.612511 Ca\n0.682248 0.710438 0.366243 Ca\n0.993812 0.287520 0.989363 Ca\n0.609439 0.117393 0.220629 Fe\n0.378171 0.886121 0.758092 Fe\n0.774309 0.221483 0.550348 N\n0.213329 0.660431 0.428394 N\n0.493824 0.781309 0.989389 N\n0.493797 0.239477 0.989332 N\n",
"nsites": 9,
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"elements": [
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],
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"density": 3.2999352566417124,
"density_atomic": 0.06211271911425709,
"volume": 144.8978587371838,
"volume_molar": 9.695503345976853,
"formula_full": "Ca3 Fe2 N4",
"formula_reduced": "Ca3(FeN2)2",
"formula_anonymous": "A2B3C4",
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{
"id": "jvasp-52599",
"created_at": "2022-09-04T14:37:10.140248Z",
"updated_at": "2022-09-04T14:37:10.140277Z",
"structure_string": "Cu4 Se2\n1.0\n4.136216 0.000000 0.000000\n0.000000 3.977675 0.000000\n0.000000 0.000000 6.484683\nCu Se\n4 2\ndirect\n0.099996 0.500001 0.550787 Cu\n0.599743 0.000000 0.050745 Cu\n0.099743 0.500001 -0.050745 Cu\n0.599996 0.000000 0.449213 Cu\n0.924262 0.000000 0.750008 Se\n0.424262 0.500001 0.249992 Se\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.414084405438659,
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"volume": 106.68939606124906,
"volume_molar": 10.708309344670523,
"formula_full": "Cu4 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 44
},
{
"id": "jvasp-78634",
"created_at": "2022-09-04T14:37:10.913089Z",
"updated_at": "2022-09-04T14:37:10.913123Z",
"structure_string": "Na1 C1 N1\n1.0\n5.468879 0.124511 0.104537\n2.680332 2.997644 -0.658044\n2.680332 -0.129211 3.066299\nNa C N\n1 1 1\ndirect\n-0.000001 0.015702 0.984299 Na\n0.499999 0.112984 0.887017 C\n0.500000 0.871314 0.128687 N\n",
"nsites": 3,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-N-Na",
"density": 1.706613549528953,
"density_atomic": 0.06291406240800279,
"volume": 47.68409295436618,
"volume_molar": 9.572010659470582,
"formula_full": "Na1 C1 N1",
"formula_reduced": "NaCN",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-105107",
"created_at": "2022-09-04T14:37:12.079275Z",
"updated_at": "2022-09-04T14:37:12.079296Z",
"structure_string": "C3 N4\n1.0\n5.026988 0.039108 -2.723116\n-0.119949 2.268880 -5.246456\n-0.168350 -0.039108 5.714685\nC N\n3 4\ndirect\n0.719284 -0.000000 0.719284 C\n0.235963 0.130668 0.105295 C\n0.974628 0.869333 0.105294 C\n0.975719 -0.000000 0.975719 N\n0.975738 0.310230 0.665509 N\n0.355279 0.689770 0.665508 N\n0.603030 0.500000 0.103030 N\n",
"nsites": 7,
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"elements": [
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],
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"volume": 63.15660533977074,
"volume_molar": 5.43339953256953,
"formula_full": "C3 N4",
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"formula_anonymous": "A3B4",
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"spacegroup": 44
},
{
"id": "jvasp-59895",
"created_at": "2022-09-04T14:37:14.066340Z",
"updated_at": "2022-09-04T14:37:14.066371Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.877229 0.011509 0.000411\n3.428572 6.028620 -0.002950\n3.435044 1.977352 5.691249\nLi Cr S\n2 4 8\ndirect\n-0.003769 0.003721 0.003839 Li\n-0.003801 0.503846 0.503698 Li\n0.486291 0.998525 0.498510 Cr\n0.501389 -0.000035 0.997245 Cr\n0.016691 -0.001495 0.498518 Cr\n0.501396 0.497255 0.499959 Cr\n0.256937 0.746778 0.739363 S\n0.730206 0.754543 0.254522 S\n0.256935 0.239363 0.246773 S\n0.746046 0.243400 0.743400 S\n0.741926 0.781293 0.734859 S\n0.267132 0.243415 0.743399 S\n0.260732 0.754531 0.254535 S\n0.741929 0.234865 0.281296 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.369297293769894,
"density_atomic": 0.059379897926307726,
"volume": 235.77002468704862,
"volume_molar": 10.141716254672014,
"formula_full": "Li2 Cr4 S8",
"formula_reduced": "Li(CrS2)2",
"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-49915",
"created_at": "2022-09-04T14:37:14.249315Z",
"updated_at": "2022-09-04T14:37:14.249349Z",
"structure_string": "Fe3 Sn2 S8\n1.0\n-5.039968 5.046403 -0.158549\n5.039968 -0.158549 5.046403\n5.039968 5.046403 -0.158549\nFe Sn S\n3 2 8\ndirect\n0.624046 0.254045 0.629999 Fe\n0.254613 0.500000 0.245387 Fe\n0.115955 0.745954 0.629999 Fe\n0.627366 0.262199 0.110434 Sn\n0.627365 0.737800 0.634834 Sn\n0.861486 0.256919 0.395433 S\n0.371230 0.224318 0.404450 S\n0.878562 0.293740 0.827696 S\n0.878562 0.706259 0.415179 S\n0.376928 0.230961 0.854035 S\n0.915003 0.769037 0.854035 S\n0.347647 0.743080 0.395433 S\n0.371229 0.775681 0.853089 S\n",
"nsites": 13,
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],
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"density_atomic": 0.0506933070253453,
"volume": 256.44410993941165,
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"formula_full": "Fe3 Sn2 S8",
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{
"id": "jvasp-79442",
"created_at": "2022-09-04T14:37:14.326939Z",
"updated_at": "2022-09-04T14:37:14.326975Z",
"structure_string": "Li1 Rh3\n1.0\n-2.677669 0.000000 0.000000\n0.000000 0.000000 -4.680875\n1.338834 -4.316591 2.340437\nLi Rh\n1 3\ndirect\n0.000000 0.011889 0.000000 Li\n0.500000 0.501903 0.000000 Rh\n0.755310 0.449913 0.510618 Rh\n0.244692 0.939296 0.489382 Rh\n",
"nsites": 4,
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"elements": [
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}
]
}